* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-08-17 18:43 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-08-17 18:43 UTC (permalink / raw
To: gentoo-commits
commit: d37fd2cc63cd196db891a40a14ab2137bcabf35c
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Mon Aug 17 12:33:06 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Mon Aug 17 18:43:29 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=d37fd2cc
sci-physics/lammps: Revision bump to address Bug 557208.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/lammps-20150515-r1.ebuild | 267 +++++++++++++++++++++++++++
1 file changed, 267 insertions(+)
diff --git a/sci-physics/lammps/lammps-20150515-r1.ebuild b/sci-physics/lammps/lammps-20150515-r1.ebuild
new file mode 100644
index 0000000..1a244c8
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150515-r1.ebuild
@@ -0,0 +1,267 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ case $1 in
+ 01) echo Jan
+ ;;
+ 02) echo Feb
+ ;;
+ 03) echo Mar
+ ;;
+ 04) echo Apr
+ ;;
+ 05) echo May
+ ;;
+ 06) echo Jun
+ ;;
+ 07) echo Jul
+ ;;
+ 08) echo Aug
+ ;;
+ 09) echo Sep
+ ;;
+ 10) echo Oct
+ ;;
+ 11) echo Nov
+ ;;
+ 12) echo Dec
+ ;;
+ *) echo unknown
+ ;;
+ esac
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE=$(tc-getAR) \
+ CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+ LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC=$(usex mpi "" "-I../STUBS") \
+ MPI_PATH=$(usex mpi "" "-L../STUBS") \
+ MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ lmp_emake -C src yes-asphere
+ lmp_emake -C src yes-body
+ lmp_emake -C src yes-class2
+ lmp_emake -C src yes-colloid
+ lmp_emake -C src yes-coreshell
+ lmp_emake -C src yes-dipole
+ lmp_emake -C src yes-fld
+ #lmp_emake -C src yes-gpu
+ lmp_emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #lmp_emake -C src yes-kim
+ # Need Kokkos external dependency.
+ #lmp_emake -C src yes-kokkos
+ lmp_emake -C src yes-kspace
+ lmp_emake -C src yes-manybody
+ lmp_emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -C src yes-misc
+ lmp_emake -C src yes-molecule
+ #lmp_emake -C src yes-mpiio
+ lmp_emake -C src yes-opt
+ lmp_emake -C src yes-peri
+ lmp_emake -C src yes-poems
+ lmp_emake -C src yes-qeq
+ lmp_emake -C src yes-reax
+ lmp_emake -C src yes-replica
+ lmp_emake -C src yes-rigid
+ lmp_emake -C src yes-shock
+ lmp_emake -C src yes-snap
+ lmp_emake -C src yes-srd
+ lmp_emake -C src yes-voronoi
+ lmp_emake -C src yes-xtc
+
+ if use mpi; then
+ lmp_emake -C src yes-user-atc
+ fi
+ lmp_emake -C src yes-user-eff
+ lmp_emake -C src yes-user-fep
+ use mpi && lmp_emake -C src yes-user-lb
+ lmp_emake -C src yes-user-phonon
+ lmp_emake -C src yes-user-sph
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-08-17 18:43 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-08-17 18:43 UTC (permalink / raw
To: gentoo-commits
commit: 0a0559d00cf47162ff0e94c9189a0a2104624c48
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Mon Aug 17 12:31:39 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Mon Aug 17 18:43:26 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=0a0559d0
sci-physics/lammps: Version bump.
Also addressed Bug 557208 and added a default value for memalign.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20150810.ebuild | 267 ++++++++++++++++++++++++++++++
sci-physics/lammps/metadata.xml | 2 +-
3 files changed, 269 insertions(+), 1 deletion(-)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 67afd43..db8ec1e 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,3 +1,4 @@
+DIST lammps-10Aug15.tar.gz 87890369 SHA256 450a765f94b70a6f38637854f1d7496dca98d359414c527f8de99bed1fdd94d2 SHA512 fc395cf7e59de7e71bad64e2500224d33ff0f76bb79530fdcde5ec9879b91c332d1421a25e5d5bb9cc47a55745e760d01b2ac8ad29f9e71c8a90a0ace9212618 WHIRLPOOL 3f50513137283f4deb9b6a2c13a7ba63814b0ddd59d33e428fba9d3f94f61baa1b3b9d9d080982453a7828d2a98e619cded4d27716fd165db595832a157c9f6b
DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
DIST lammps-16Apr15.tar.gz 63842472 SHA256 65aecf6f25a055734ef113890a86ecbf7f8478105238c507e5f9bcbeb657bc99 SHA512 95639145db66e76bd27a865849dc0ad15d3920f7ca9f1fb9a426e457376d0c939c57440e89fa6903d1989ca5e5c6c97d8d283928e1dbf33dd94ba88dbb05a252 WHIRLPOOL 422f6814093f22820cfd8fada1d97735c1a8f0388b34e6bad49e361e411b254ea89e6bf7afa8390c0cba1371a6d038fa84cf93583568c5223e42d95210f13515
diff --git a/sci-physics/lammps/lammps-20150810.ebuild b/sci-physics/lammps/lammps-20150810.ebuild
new file mode 100644
index 0000000..1a244c8
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150810.ebuild
@@ -0,0 +1,267 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ case $1 in
+ 01) echo Jan
+ ;;
+ 02) echo Feb
+ ;;
+ 03) echo Mar
+ ;;
+ 04) echo Apr
+ ;;
+ 05) echo May
+ ;;
+ 06) echo Jun
+ ;;
+ 07) echo Jul
+ ;;
+ 08) echo Aug
+ ;;
+ 09) echo Sep
+ ;;
+ 10) echo Oct
+ ;;
+ 11) echo Nov
+ ;;
+ 12) echo Dec
+ ;;
+ *) echo unknown
+ ;;
+ esac
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE=$(tc-getAR) \
+ CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+ LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC=$(usex mpi "" "-I../STUBS") \
+ MPI_PATH=$(usex mpi "" "-L../STUBS") \
+ MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ lmp_emake -C src yes-asphere
+ lmp_emake -C src yes-body
+ lmp_emake -C src yes-class2
+ lmp_emake -C src yes-colloid
+ lmp_emake -C src yes-coreshell
+ lmp_emake -C src yes-dipole
+ lmp_emake -C src yes-fld
+ #lmp_emake -C src yes-gpu
+ lmp_emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #lmp_emake -C src yes-kim
+ # Need Kokkos external dependency.
+ #lmp_emake -C src yes-kokkos
+ lmp_emake -C src yes-kspace
+ lmp_emake -C src yes-manybody
+ lmp_emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -C src yes-misc
+ lmp_emake -C src yes-molecule
+ #lmp_emake -C src yes-mpiio
+ lmp_emake -C src yes-opt
+ lmp_emake -C src yes-peri
+ lmp_emake -C src yes-poems
+ lmp_emake -C src yes-qeq
+ lmp_emake -C src yes-reax
+ lmp_emake -C src yes-replica
+ lmp_emake -C src yes-rigid
+ lmp_emake -C src yes-shock
+ lmp_emake -C src yes-snap
+ lmp_emake -C src yes-srd
+ lmp_emake -C src yes-voronoi
+ lmp_emake -C src yes-xtc
+
+ if use mpi; then
+ lmp_emake -C src yes-user-atc
+ fi
+ lmp_emake -C src yes-user-eff
+ lmp_emake -C src yes-user-fep
+ use mpi && lmp_emake -C src yes-user-lb
+ lmp_emake -C src yes-user-phonon
+ lmp_emake -C src yes-user-sph
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
diff --git a/sci-physics/lammps/metadata.xml b/sci-physics/lammps/metadata.xml
index 5d67bcd..bd12f29 100644
--- a/sci-physics/lammps/metadata.xml
+++ b/sci-physics/lammps/metadata.xml
@@ -18,7 +18,7 @@
<use>
<flag name="lammps-memalign">Enables the use of the posix_memalign()
call instead of malloc() when large chunks or memory are allocated
- by LAMMPS</flag>
+ by LAMMPS. Aliengnment is on 16 byte boundaries.</flag>
</use>
<herd>sci-physics</herd>
<maintainer>
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-08-19 11:29 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-08-19 11:29 UTC (permalink / raw
To: gentoo-commits
commit: 3f2f0620f34ab0c3e861658f9fcefa54579ac9fe
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Wed Aug 19 11:28:42 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Wed Aug 19 11:28:42 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3f2f0620
sci-physics/lammps: Version bump.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20150818.ebuild | 267 ++++++++++++++++++++++++++++++
2 files changed, 268 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index db8ec1e..7ef6a63 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -3,6 +3,7 @@ DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e0
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
DIST lammps-16Apr15.tar.gz 63842472 SHA256 65aecf6f25a055734ef113890a86ecbf7f8478105238c507e5f9bcbeb657bc99 SHA512 95639145db66e76bd27a865849dc0ad15d3920f7ca9f1fb9a426e457376d0c939c57440e89fa6903d1989ca5e5c6c97d8d283928e1dbf33dd94ba88dbb05a252 WHIRLPOOL 422f6814093f22820cfd8fada1d97735c1a8f0388b34e6bad49e361e411b254ea89e6bf7afa8390c0cba1371a6d038fa84cf93583568c5223e42d95210f13515
DIST lammps-18Apr15.tar.gz 63883297 SHA256 4ce74978da738383a1d808a37481c3c43d4f8f44d919770b3f2cdd4fcf03345b SHA512 be088ec59b7fe495fff3cdfcc5ccb52d2705eec20deb5c8694a215943786652c9dc22a81ba48324707495c3f56c0c347af964d1952ae077c8db02258cf31387a WHIRLPOOL c90403147cc4eda5b4f581cd1bd18bcc8f45a73b1d0e51dcd64c52fc636116c9d57337b89b5753c86e1bbf386f8a2391a9813a6e32154a819f3e35cfc816b5e2
+DIST lammps-18Aug15.tar.gz 87893731 SHA256 513237934cda7c1e026f4983096fd53cb510fadee12c55b13b4735086155245a SHA512 5816509f5b988dbe74c9f40a9faa42b3bcf260388dfe70703a1544517acd3f868d3bc398fb4c2fa7713d24409075d44ad80b8e91a25a28db783c2605aff30977 WHIRLPOOL 7022f3aabadffdfa2ef4c8219589e46fba2572d9ed4b52591f6516a61d4895b39d637d88535ba83881db5d48661e34ca6ff2f22a6819dbec015af979721a0f53
DIST lammps-18Jul15.tar.gz 66065642 SHA256 deb6625b7c21cf94fc7ee9aefb2edf55a6c8dc870e919028c9ffa1cd169d57ed SHA512 d26dd0084779e037af35bc26f81cdca5a7617f841860e6eab7d52f6c023d2c001075aad5dc3d656ceb6e92650589acc472fa5c8954fd9ab81ec0b737e377284b WHIRLPOOL 66794b7250cdb077bcbeb2b95a464aecc684f7592d81f3db4a3702195ef1d8404eb4b1f38e6c1dd859a42dd8ca1ebd039cbac4d9fd11be99a376168f2c498cdd
DIST lammps-21Jul15.tar.gz 66715434 SHA256 2e24a7b6131a35ef83cec08f4dc9f7cc5188c59a630ba61f2a8ac3cfbd284ef7 SHA512 cbf39b3559ac60d5ad92299370bf9af76c0bd7fec62dbaa429d5127d561978426d16b03510b815ffeb6b0acdb362523809adf7ac3fbc2fea8cc484010b1ef7bc WHIRLPOOL 41df92b1f5baf52e846032f12c80f813b84fcd1c71f8c7dad5594780da154345d1b1bdea6b68f4c4b71029346d74d4ff3a813f1101437a01be65df7cf6d0d246
DIST lammps-22Jul15.tar.gz 67275212 SHA256 b75cdf8ead17f20433737c203c8d29c0cc3e157c9b3d175093467873aea0b869 SHA512 f6e5eaf3ca8bcd25a580a4608e0aec0021f2ed5eb23cf9ccd0a707cb8bc320568504ccffc25cccb5acfe2fc3515c58f8afc8936aea63acb3062bdc897a5eb2ee WHIRLPOOL 13c09e1045a0bdabe15e2125ccef0ea622cb12fcce63d8441b7f9843b8f1a3f7aa0c13908a2e215c1fdba8a579a17a5833111b5cf31a2471bf66e781ef281c59
diff --git a/sci-physics/lammps/lammps-20150818.ebuild b/sci-physics/lammps/lammps-20150818.ebuild
new file mode 100644
index 0000000..1a244c8
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150818.ebuild
@@ -0,0 +1,267 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ case $1 in
+ 01) echo Jan
+ ;;
+ 02) echo Feb
+ ;;
+ 03) echo Mar
+ ;;
+ 04) echo Apr
+ ;;
+ 05) echo May
+ ;;
+ 06) echo Jun
+ ;;
+ 07) echo Jul
+ ;;
+ 08) echo Aug
+ ;;
+ 09) echo Sep
+ ;;
+ 10) echo Oct
+ ;;
+ 11) echo Nov
+ ;;
+ 12) echo Dec
+ ;;
+ *) echo unknown
+ ;;
+ esac
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE=$(tc-getAR) \
+ CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+ LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC=$(usex mpi "" "-I../STUBS") \
+ MPI_PATH=$(usex mpi "" "-L../STUBS") \
+ MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ lmp_emake -C src yes-asphere
+ lmp_emake -C src yes-body
+ lmp_emake -C src yes-class2
+ lmp_emake -C src yes-colloid
+ lmp_emake -C src yes-coreshell
+ lmp_emake -C src yes-dipole
+ lmp_emake -C src yes-fld
+ #lmp_emake -C src yes-gpu
+ lmp_emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #lmp_emake -C src yes-kim
+ # Need Kokkos external dependency.
+ #lmp_emake -C src yes-kokkos
+ lmp_emake -C src yes-kspace
+ lmp_emake -C src yes-manybody
+ lmp_emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -C src yes-misc
+ lmp_emake -C src yes-molecule
+ #lmp_emake -C src yes-mpiio
+ lmp_emake -C src yes-opt
+ lmp_emake -C src yes-peri
+ lmp_emake -C src yes-poems
+ lmp_emake -C src yes-qeq
+ lmp_emake -C src yes-reax
+ lmp_emake -C src yes-replica
+ lmp_emake -C src yes-rigid
+ lmp_emake -C src yes-shock
+ lmp_emake -C src yes-snap
+ lmp_emake -C src yes-srd
+ lmp_emake -C src yes-voronoi
+ lmp_emake -C src yes-xtc
+
+ if use mpi; then
+ lmp_emake -C src yes-user-atc
+ fi
+ lmp_emake -C src yes-user-eff
+ lmp_emake -C src yes-user-fep
+ use mpi && lmp_emake -C src yes-user-lb
+ lmp_emake -C src yes-user-phonon
+ lmp_emake -C src yes-user-sph
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-08-31 14:38 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-08-31 14:38 UTC (permalink / raw
To: gentoo-commits
commit: 6b87c500700e9c2ff4c39f41b804b36bfe5d1e65
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Mon Aug 24 12:30:52 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Mon Aug 31 14:37:53 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=6b87c500
sci-physics/lammps: Version bump.
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20150821.ebuild | 267 ++++++++++++++++++++++++++++++
2 files changed, 268 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 7ef6a63..17bb0ea 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -5,6 +5,7 @@ DIST lammps-16Apr15.tar.gz 63842472 SHA256 65aecf6f25a055734ef113890a86ecbf7f847
DIST lammps-18Apr15.tar.gz 63883297 SHA256 4ce74978da738383a1d808a37481c3c43d4f8f44d919770b3f2cdd4fcf03345b SHA512 be088ec59b7fe495fff3cdfcc5ccb52d2705eec20deb5c8694a215943786652c9dc22a81ba48324707495c3f56c0c347af964d1952ae077c8db02258cf31387a WHIRLPOOL c90403147cc4eda5b4f581cd1bd18bcc8f45a73b1d0e51dcd64c52fc636116c9d57337b89b5753c86e1bbf386f8a2391a9813a6e32154a819f3e35cfc816b5e2
DIST lammps-18Aug15.tar.gz 87893731 SHA256 513237934cda7c1e026f4983096fd53cb510fadee12c55b13b4735086155245a SHA512 5816509f5b988dbe74c9f40a9faa42b3bcf260388dfe70703a1544517acd3f868d3bc398fb4c2fa7713d24409075d44ad80b8e91a25a28db783c2605aff30977 WHIRLPOOL 7022f3aabadffdfa2ef4c8219589e46fba2572d9ed4b52591f6516a61d4895b39d637d88535ba83881db5d48661e34ca6ff2f22a6819dbec015af979721a0f53
DIST lammps-18Jul15.tar.gz 66065642 SHA256 deb6625b7c21cf94fc7ee9aefb2edf55a6c8dc870e919028c9ffa1cd169d57ed SHA512 d26dd0084779e037af35bc26f81cdca5a7617f841860e6eab7d52f6c023d2c001075aad5dc3d656ceb6e92650589acc472fa5c8954fd9ab81ec0b737e377284b WHIRLPOOL 66794b7250cdb077bcbeb2b95a464aecc684f7592d81f3db4a3702195ef1d8404eb4b1f38e6c1dd859a42dd8ca1ebd039cbac4d9fd11be99a376168f2c498cdd
+DIST lammps-21Aug15.tar.gz 87096749 SHA256 46f68e7b61e50ab3e790c53cadd82fde7c7aa58aa73e8a3257f24facff2ed0a4 SHA512 b1dd90890c43a6cf55a57a61279dcc4c10fdedb4ad90f225a06c0e93eb139d30f2d56baa233c081b38adeeb0a8419a0315ccc4b0fa15c3ffbf7db626ca261e9d WHIRLPOOL a1d7d4ab30f9ecca3fd64216e729fef6fa1b3f7a6698b9eaf104bcbfa03a66862cd8c5882e94f73e841064d94bf030aaf569ebb457d89fbd345b391f9cee6822
DIST lammps-21Jul15.tar.gz 66715434 SHA256 2e24a7b6131a35ef83cec08f4dc9f7cc5188c59a630ba61f2a8ac3cfbd284ef7 SHA512 cbf39b3559ac60d5ad92299370bf9af76c0bd7fec62dbaa429d5127d561978426d16b03510b815ffeb6b0acdb362523809adf7ac3fbc2fea8cc484010b1ef7bc WHIRLPOOL 41df92b1f5baf52e846032f12c80f813b84fcd1c71f8c7dad5594780da154345d1b1bdea6b68f4c4b71029346d74d4ff3a813f1101437a01be65df7cf6d0d246
DIST lammps-22Jul15.tar.gz 67275212 SHA256 b75cdf8ead17f20433737c203c8d29c0cc3e157c9b3d175093467873aea0b869 SHA512 f6e5eaf3ca8bcd25a580a4608e0aec0021f2ed5eb23cf9ccd0a707cb8bc320568504ccffc25cccb5acfe2fc3515c58f8afc8936aea63acb3062bdc897a5eb2ee WHIRLPOOL 13c09e1045a0bdabe15e2125ccef0ea622cb12fcce63d8441b7f9843b8f1a3f7aa0c13908a2e215c1fdba8a579a17a5833111b5cf31a2471bf66e781ef281c59
DIST lammps-24Jul15.tar.gz 67180142 SHA256 bd183f7b073e1ca86656a8f6ea99195123ce3c7829c872ca45216da4132ff96d SHA512 e285a1f326658bd23f32ecf9409d9f0bf16ed635656bbcee0d84da58e1c008363c7815001bcaa5b7701d99b3318a56240b021447e94754607c2ceb178e377122 WHIRLPOOL 003237f8e9a7caec98aa1f8f0c5e03c0cda6d60f20460e32c4eea3c92707e349f4e1a71510f1290b6e6aeac1621951080f904b1bb2224c8eb9e25067206d2b1b
diff --git a/sci-physics/lammps/lammps-20150821.ebuild b/sci-physics/lammps/lammps-20150821.ebuild
new file mode 100644
index 0000000..1a244c8
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150821.ebuild
@@ -0,0 +1,267 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ case $1 in
+ 01) echo Jan
+ ;;
+ 02) echo Feb
+ ;;
+ 03) echo Mar
+ ;;
+ 04) echo Apr
+ ;;
+ 05) echo May
+ ;;
+ 06) echo Jun
+ ;;
+ 07) echo Jul
+ ;;
+ 08) echo Aug
+ ;;
+ 09) echo Sep
+ ;;
+ 10) echo Oct
+ ;;
+ 11) echo Nov
+ ;;
+ 12) echo Dec
+ ;;
+ *) echo unknown
+ ;;
+ esac
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE=$(tc-getAR) \
+ CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+ LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC=$(usex mpi "" "-I../STUBS") \
+ MPI_PATH=$(usex mpi "" "-L../STUBS") \
+ MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ lmp_emake -C src yes-asphere
+ lmp_emake -C src yes-body
+ lmp_emake -C src yes-class2
+ lmp_emake -C src yes-colloid
+ lmp_emake -C src yes-coreshell
+ lmp_emake -C src yes-dipole
+ lmp_emake -C src yes-fld
+ #lmp_emake -C src yes-gpu
+ lmp_emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #lmp_emake -C src yes-kim
+ # Need Kokkos external dependency.
+ #lmp_emake -C src yes-kokkos
+ lmp_emake -C src yes-kspace
+ lmp_emake -C src yes-manybody
+ lmp_emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -C src yes-misc
+ lmp_emake -C src yes-molecule
+ #lmp_emake -C src yes-mpiio
+ lmp_emake -C src yes-opt
+ lmp_emake -C src yes-peri
+ lmp_emake -C src yes-poems
+ lmp_emake -C src yes-qeq
+ lmp_emake -C src yes-reax
+ lmp_emake -C src yes-replica
+ lmp_emake -C src yes-rigid
+ lmp_emake -C src yes-shock
+ lmp_emake -C src yes-snap
+ lmp_emake -C src yes-srd
+ lmp_emake -C src yes-voronoi
+ lmp_emake -C src yes-xtc
+
+ if use mpi; then
+ lmp_emake -C src yes-user-atc
+ fi
+ lmp_emake -C src yes-user-eff
+ lmp_emake -C src yes-user-fep
+ use mpi && lmp_emake -C src yes-user-lb
+ lmp_emake -C src yes-user-phonon
+ lmp_emake -C src yes-user-sph
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-08-31 14:40 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-08-31 14:40 UTC (permalink / raw
To: gentoo-commits
commit: 3277d583c52240a79494bca8ef6e3df41e2dbeb9
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Mon Aug 31 14:40:12 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Mon Aug 31 14:40:12 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3277d583
sci-physics/lammps: Version bump.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20150829.ebuild | 267 ++++++++++++++++++++++++++++++
2 files changed, 268 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 17bb0ea..978a7fb 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -10,4 +10,5 @@ DIST lammps-21Jul15.tar.gz 66715434 SHA256 2e24a7b6131a35ef83cec08f4dc9f7cc5188c
DIST lammps-22Jul15.tar.gz 67275212 SHA256 b75cdf8ead17f20433737c203c8d29c0cc3e157c9b3d175093467873aea0b869 SHA512 f6e5eaf3ca8bcd25a580a4608e0aec0021f2ed5eb23cf9ccd0a707cb8bc320568504ccffc25cccb5acfe2fc3515c58f8afc8936aea63acb3062bdc897a5eb2ee WHIRLPOOL 13c09e1045a0bdabe15e2125ccef0ea622cb12fcce63d8441b7f9843b8f1a3f7aa0c13908a2e215c1fdba8a579a17a5833111b5cf31a2471bf66e781ef281c59
DIST lammps-24Jul15.tar.gz 67180142 SHA256 bd183f7b073e1ca86656a8f6ea99195123ce3c7829c872ca45216da4132ff96d SHA512 e285a1f326658bd23f32ecf9409d9f0bf16ed635656bbcee0d84da58e1c008363c7815001bcaa5b7701d99b3318a56240b021447e94754607c2ceb178e377122 WHIRLPOOL 003237f8e9a7caec98aa1f8f0c5e03c0cda6d60f20460e32c4eea3c92707e349f4e1a71510f1290b6e6aeac1621951080f904b1bb2224c8eb9e25067206d2b1b
DIST lammps-28Apr15.tar.gz 63883556 SHA256 6e7c32690cf8bb5a4fb147bab6029cc1d03594ec7b3ea3833e7dc89acc596d8a SHA512 414c786e8666cddd31a3200baedc76974371280dc219636914dd7863f03e32e11f637a9c184af78d8d4da22afe4cf734b6a0eb32c78d6f53ee95d796a3e080c0 WHIRLPOOL c57a91f9d5e977d26cdb2076b5bbd2f3b5791396c23b5326f16cc609b9646e80c602a492b312b4e5f78d1d638c4a6b66e9a49b1ced02274ad7202821a2884975
+DIST lammps-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87
DIST lammps-30Apr15.tar.gz 63892754 SHA256 d4a193fd5aa9417ec9d15a3be1e2b149302aacf3d9321886a806b0f4ca91611e SHA512 889fc315719e6f50f802b72a8a0c6e6d7eedb84b67e8b39ae9ea93feb2d526914639848cbfbcbb6dd8b8718c3b332f617f001c6ef04fe14d0685106fcac821bd WHIRLPOOL a681662a0c37fcb701ced8f2cd4f085dfd0ff250faac2c62abd07b718e3bf12ddbf366f725fbc21bc4547e6ef3ca3042ee84571a1fa0277a4c3d7d273ccaa099
diff --git a/sci-physics/lammps/lammps-20150829.ebuild b/sci-physics/lammps/lammps-20150829.ebuild
new file mode 100644
index 0000000..1a244c8
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150829.ebuild
@@ -0,0 +1,267 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ case $1 in
+ 01) echo Jan
+ ;;
+ 02) echo Feb
+ ;;
+ 03) echo Mar
+ ;;
+ 04) echo Apr
+ ;;
+ 05) echo May
+ ;;
+ 06) echo Jun
+ ;;
+ 07) echo Jul
+ ;;
+ 08) echo Aug
+ ;;
+ 09) echo Sep
+ ;;
+ 10) echo Oct
+ ;;
+ 11) echo Nov
+ ;;
+ 12) echo Dec
+ ;;
+ *) echo unknown
+ ;;
+ esac
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE=$(tc-getAR) \
+ CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+ LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC=$(usex mpi "" "-I../STUBS") \
+ MPI_PATH=$(usex mpi "" "-L../STUBS") \
+ MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ lmp_emake -C src yes-asphere
+ lmp_emake -C src yes-body
+ lmp_emake -C src yes-class2
+ lmp_emake -C src yes-colloid
+ lmp_emake -C src yes-coreshell
+ lmp_emake -C src yes-dipole
+ lmp_emake -C src yes-fld
+ #lmp_emake -C src yes-gpu
+ lmp_emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #lmp_emake -C src yes-kim
+ # Need Kokkos external dependency.
+ #lmp_emake -C src yes-kokkos
+ lmp_emake -C src yes-kspace
+ lmp_emake -C src yes-manybody
+ lmp_emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -C src yes-misc
+ lmp_emake -C src yes-molecule
+ #lmp_emake -C src yes-mpiio
+ lmp_emake -C src yes-opt
+ lmp_emake -C src yes-peri
+ lmp_emake -C src yes-poems
+ lmp_emake -C src yes-qeq
+ lmp_emake -C src yes-reax
+ lmp_emake -C src yes-replica
+ lmp_emake -C src yes-rigid
+ lmp_emake -C src yes-shock
+ lmp_emake -C src yes-snap
+ lmp_emake -C src yes-srd
+ lmp_emake -C src yes-voronoi
+ lmp_emake -C src yes-xtc
+
+ if use mpi; then
+ lmp_emake -C src yes-user-atc
+ fi
+ lmp_emake -C src yes-user-eff
+ lmp_emake -C src yes-user-fep
+ use mpi && lmp_emake -C src yes-user-lb
+ lmp_emake -C src yes-user-phonon
+ lmp_emake -C src yes-user-sph
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-09-02 12:03 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-09-02 12:03 UTC (permalink / raw
To: gentoo-commits
commit: 9e23af32fff105d9daeb781552225840f7d7b135
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Mon Aug 31 14:41:26 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Wed Sep 2 12:02:59 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=9e23af32
sci-physics/lammps: Removing old versions.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 4 -
sci-physics/lammps/lammps-20150416.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20150418.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20150428.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20150430.ebuild | 267 ------------------------------
5 files changed, 1072 deletions(-)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 978a7fb..c6d633a 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,14 +1,10 @@
DIST lammps-10Aug15.tar.gz 87890369 SHA256 450a765f94b70a6f38637854f1d7496dca98d359414c527f8de99bed1fdd94d2 SHA512 fc395cf7e59de7e71bad64e2500224d33ff0f76bb79530fdcde5ec9879b91c332d1421a25e5d5bb9cc47a55745e760d01b2ac8ad29f9e71c8a90a0ace9212618 WHIRLPOOL 3f50513137283f4deb9b6a2c13a7ba63814b0ddd59d33e428fba9d3f94f61baa1b3b9d9d080982453a7828d2a98e619cded4d27716fd165db595832a157c9f6b
DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
-DIST lammps-16Apr15.tar.gz 63842472 SHA256 65aecf6f25a055734ef113890a86ecbf7f8478105238c507e5f9bcbeb657bc99 SHA512 95639145db66e76bd27a865849dc0ad15d3920f7ca9f1fb9a426e457376d0c939c57440e89fa6903d1989ca5e5c6c97d8d283928e1dbf33dd94ba88dbb05a252 WHIRLPOOL 422f6814093f22820cfd8fada1d97735c1a8f0388b34e6bad49e361e411b254ea89e6bf7afa8390c0cba1371a6d038fa84cf93583568c5223e42d95210f13515
-DIST lammps-18Apr15.tar.gz 63883297 SHA256 4ce74978da738383a1d808a37481c3c43d4f8f44d919770b3f2cdd4fcf03345b SHA512 be088ec59b7fe495fff3cdfcc5ccb52d2705eec20deb5c8694a215943786652c9dc22a81ba48324707495c3f56c0c347af964d1952ae077c8db02258cf31387a WHIRLPOOL c90403147cc4eda5b4f581cd1bd18bcc8f45a73b1d0e51dcd64c52fc636116c9d57337b89b5753c86e1bbf386f8a2391a9813a6e32154a819f3e35cfc816b5e2
DIST lammps-18Aug15.tar.gz 87893731 SHA256 513237934cda7c1e026f4983096fd53cb510fadee12c55b13b4735086155245a SHA512 5816509f5b988dbe74c9f40a9faa42b3bcf260388dfe70703a1544517acd3f868d3bc398fb4c2fa7713d24409075d44ad80b8e91a25a28db783c2605aff30977 WHIRLPOOL 7022f3aabadffdfa2ef4c8219589e46fba2572d9ed4b52591f6516a61d4895b39d637d88535ba83881db5d48661e34ca6ff2f22a6819dbec015af979721a0f53
DIST lammps-18Jul15.tar.gz 66065642 SHA256 deb6625b7c21cf94fc7ee9aefb2edf55a6c8dc870e919028c9ffa1cd169d57ed SHA512 d26dd0084779e037af35bc26f81cdca5a7617f841860e6eab7d52f6c023d2c001075aad5dc3d656ceb6e92650589acc472fa5c8954fd9ab81ec0b737e377284b WHIRLPOOL 66794b7250cdb077bcbeb2b95a464aecc684f7592d81f3db4a3702195ef1d8404eb4b1f38e6c1dd859a42dd8ca1ebd039cbac4d9fd11be99a376168f2c498cdd
DIST lammps-21Aug15.tar.gz 87096749 SHA256 46f68e7b61e50ab3e790c53cadd82fde7c7aa58aa73e8a3257f24facff2ed0a4 SHA512 b1dd90890c43a6cf55a57a61279dcc4c10fdedb4ad90f225a06c0e93eb139d30f2d56baa233c081b38adeeb0a8419a0315ccc4b0fa15c3ffbf7db626ca261e9d WHIRLPOOL a1d7d4ab30f9ecca3fd64216e729fef6fa1b3f7a6698b9eaf104bcbfa03a66862cd8c5882e94f73e841064d94bf030aaf569ebb457d89fbd345b391f9cee6822
DIST lammps-21Jul15.tar.gz 66715434 SHA256 2e24a7b6131a35ef83cec08f4dc9f7cc5188c59a630ba61f2a8ac3cfbd284ef7 SHA512 cbf39b3559ac60d5ad92299370bf9af76c0bd7fec62dbaa429d5127d561978426d16b03510b815ffeb6b0acdb362523809adf7ac3fbc2fea8cc484010b1ef7bc WHIRLPOOL 41df92b1f5baf52e846032f12c80f813b84fcd1c71f8c7dad5594780da154345d1b1bdea6b68f4c4b71029346d74d4ff3a813f1101437a01be65df7cf6d0d246
DIST lammps-22Jul15.tar.gz 67275212 SHA256 b75cdf8ead17f20433737c203c8d29c0cc3e157c9b3d175093467873aea0b869 SHA512 f6e5eaf3ca8bcd25a580a4608e0aec0021f2ed5eb23cf9ccd0a707cb8bc320568504ccffc25cccb5acfe2fc3515c58f8afc8936aea63acb3062bdc897a5eb2ee WHIRLPOOL 13c09e1045a0bdabe15e2125ccef0ea622cb12fcce63d8441b7f9843b8f1a3f7aa0c13908a2e215c1fdba8a579a17a5833111b5cf31a2471bf66e781ef281c59
DIST lammps-24Jul15.tar.gz 67180142 SHA256 bd183f7b073e1ca86656a8f6ea99195123ce3c7829c872ca45216da4132ff96d SHA512 e285a1f326658bd23f32ecf9409d9f0bf16ed635656bbcee0d84da58e1c008363c7815001bcaa5b7701d99b3318a56240b021447e94754607c2ceb178e377122 WHIRLPOOL 003237f8e9a7caec98aa1f8f0c5e03c0cda6d60f20460e32c4eea3c92707e349f4e1a71510f1290b6e6aeac1621951080f904b1bb2224c8eb9e25067206d2b1b
-DIST lammps-28Apr15.tar.gz 63883556 SHA256 6e7c32690cf8bb5a4fb147bab6029cc1d03594ec7b3ea3833e7dc89acc596d8a SHA512 414c786e8666cddd31a3200baedc76974371280dc219636914dd7863f03e32e11f637a9c184af78d8d4da22afe4cf734b6a0eb32c78d6f53ee95d796a3e080c0 WHIRLPOOL c57a91f9d5e977d26cdb2076b5bbd2f3b5791396c23b5326f16cc609b9646e80c602a492b312b4e5f78d1d638c4a6b66e9a49b1ced02274ad7202821a2884975
DIST lammps-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87
-DIST lammps-30Apr15.tar.gz 63892754 SHA256 d4a193fd5aa9417ec9d15a3be1e2b149302aacf3d9321886a806b0f4ca91611e SHA512 889fc315719e6f50f802b72a8a0c6e6d7eedb84b67e8b39ae9ea93feb2d526914639848cbfbcbb6dd8b8718c3b332f617f001c6ef04fe14d0685106fcac821bd WHIRLPOOL a681662a0c37fcb701ced8f2cd4f085dfd0ff250faac2c62abd07b718e3bf12ddbf366f725fbc21bc4547e6ef3ca3042ee84571a1fa0277a4c3d7d273ccaa099
diff --git a/sci-physics/lammps/lammps-20150416.ebuild b/sci-physics/lammps/lammps-20150416.ebuild
deleted file mode 100644
index 020cfbd..0000000
--- a/sci-physics/lammps/lammps-20150416.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150418.ebuild b/sci-physics/lammps/lammps-20150418.ebuild
deleted file mode 100644
index 020cfbd..0000000
--- a/sci-physics/lammps/lammps-20150418.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150428.ebuild b/sci-physics/lammps/lammps-20150428.ebuild
deleted file mode 100644
index 020cfbd..0000000
--- a/sci-physics/lammps/lammps-20150428.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150430.ebuild b/sci-physics/lammps/lammps-20150430.ebuild
deleted file mode 100644
index 020cfbd..0000000
--- a/sci-physics/lammps/lammps-20150430.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-09-04 15:29 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-09-04 15:29 UTC (permalink / raw
To: gentoo-commits
commit: c774f37b58956cbe6659b226e9e76b74bd358ddd
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Fri Sep 4 15:29:35 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Fri Sep 4 15:29:35 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=c774f37b
sci-physics/lammps: Version bump.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20150904.ebuild | 267 ++++++++++++++++++++++++++++++
2 files changed, 268 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index c6d633a..3e01977 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -8,3 +8,4 @@ DIST lammps-21Jul15.tar.gz 66715434 SHA256 2e24a7b6131a35ef83cec08f4dc9f7cc5188c
DIST lammps-22Jul15.tar.gz 67275212 SHA256 b75cdf8ead17f20433737c203c8d29c0cc3e157c9b3d175093467873aea0b869 SHA512 f6e5eaf3ca8bcd25a580a4608e0aec0021f2ed5eb23cf9ccd0a707cb8bc320568504ccffc25cccb5acfe2fc3515c58f8afc8936aea63acb3062bdc897a5eb2ee WHIRLPOOL 13c09e1045a0bdabe15e2125ccef0ea622cb12fcce63d8441b7f9843b8f1a3f7aa0c13908a2e215c1fdba8a579a17a5833111b5cf31a2471bf66e781ef281c59
DIST lammps-24Jul15.tar.gz 67180142 SHA256 bd183f7b073e1ca86656a8f6ea99195123ce3c7829c872ca45216da4132ff96d SHA512 e285a1f326658bd23f32ecf9409d9f0bf16ed635656bbcee0d84da58e1c008363c7815001bcaa5b7701d99b3318a56240b021447e94754607c2ceb178e377122 WHIRLPOOL 003237f8e9a7caec98aa1f8f0c5e03c0cda6d60f20460e32c4eea3c92707e349f4e1a71510f1290b6e6aeac1621951080f904b1bb2224c8eb9e25067206d2b1b
DIST lammps-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87
+DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
diff --git a/sci-physics/lammps/lammps-20150904.ebuild b/sci-physics/lammps/lammps-20150904.ebuild
new file mode 100644
index 0000000..1a244c8
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150904.ebuild
@@ -0,0 +1,267 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ case $1 in
+ 01) echo Jan
+ ;;
+ 02) echo Feb
+ ;;
+ 03) echo Mar
+ ;;
+ 04) echo Apr
+ ;;
+ 05) echo May
+ ;;
+ 06) echo Jun
+ ;;
+ 07) echo Jul
+ ;;
+ 08) echo Aug
+ ;;
+ 09) echo Sep
+ ;;
+ 10) echo Oct
+ ;;
+ 11) echo Nov
+ ;;
+ 12) echo Dec
+ ;;
+ *) echo unknown
+ ;;
+ esac
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE=$(tc-getAR) \
+ CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+ LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC=$(usex mpi "" "-I../STUBS") \
+ MPI_PATH=$(usex mpi "" "-L../STUBS") \
+ MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ lmp_emake -C src yes-asphere
+ lmp_emake -C src yes-body
+ lmp_emake -C src yes-class2
+ lmp_emake -C src yes-colloid
+ lmp_emake -C src yes-coreshell
+ lmp_emake -C src yes-dipole
+ lmp_emake -C src yes-fld
+ #lmp_emake -C src yes-gpu
+ lmp_emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #lmp_emake -C src yes-kim
+ # Need Kokkos external dependency.
+ #lmp_emake -C src yes-kokkos
+ lmp_emake -C src yes-kspace
+ lmp_emake -C src yes-manybody
+ lmp_emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -C src yes-misc
+ lmp_emake -C src yes-molecule
+ #lmp_emake -C src yes-mpiio
+ lmp_emake -C src yes-opt
+ lmp_emake -C src yes-peri
+ lmp_emake -C src yes-poems
+ lmp_emake -C src yes-qeq
+ lmp_emake -C src yes-reax
+ lmp_emake -C src yes-replica
+ lmp_emake -C src yes-rigid
+ lmp_emake -C src yes-shock
+ lmp_emake -C src yes-snap
+ lmp_emake -C src yes-srd
+ lmp_emake -C src yes-voronoi
+ lmp_emake -C src yes-xtc
+
+ if use mpi; then
+ lmp_emake -C src yes-user-atc
+ fi
+ lmp_emake -C src yes-user-eff
+ lmp_emake -C src yes-user-fep
+ use mpi && lmp_emake -C src yes-user-lb
+ lmp_emake -C src yes-user-phonon
+ lmp_emake -C src yes-user-sph
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-09-13 20:30 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-09-13 20:30 UTC (permalink / raw
To: gentoo-commits
commit: 45f18412b423e86ff87f89925256d6ed8d490a70
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Sun Sep 13 20:29:57 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Sun Sep 13 20:30:28 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=45f18412
sci-physics/lammps: Version bump.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 2 +
sci-physics/lammps/lammps-20150909.ebuild | 267 ++++++++++++++++++++++++++++++
sci-physics/lammps/lammps-20150911.ebuild | 267 ++++++++++++++++++++++++++++++
3 files changed, 536 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 3e01977..1bad744 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,5 +1,6 @@
DIST lammps-10Aug15.tar.gz 87890369 SHA256 450a765f94b70a6f38637854f1d7496dca98d359414c527f8de99bed1fdd94d2 SHA512 fc395cf7e59de7e71bad64e2500224d33ff0f76bb79530fdcde5ec9879b91c332d1421a25e5d5bb9cc47a55745e760d01b2ac8ad29f9e71c8a90a0ace9212618 WHIRLPOOL 3f50513137283f4deb9b6a2c13a7ba63814b0ddd59d33e428fba9d3f94f61baa1b3b9d9d080982453a7828d2a98e619cded4d27716fd165db595832a157c9f6b
DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
+DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
DIST lammps-18Aug15.tar.gz 87893731 SHA256 513237934cda7c1e026f4983096fd53cb510fadee12c55b13b4735086155245a SHA512 5816509f5b988dbe74c9f40a9faa42b3bcf260388dfe70703a1544517acd3f868d3bc398fb4c2fa7713d24409075d44ad80b8e91a25a28db783c2605aff30977 WHIRLPOOL 7022f3aabadffdfa2ef4c8219589e46fba2572d9ed4b52591f6516a61d4895b39d637d88535ba83881db5d48661e34ca6ff2f22a6819dbec015af979721a0f53
DIST lammps-18Jul15.tar.gz 66065642 SHA256 deb6625b7c21cf94fc7ee9aefb2edf55a6c8dc870e919028c9ffa1cd169d57ed SHA512 d26dd0084779e037af35bc26f81cdca5a7617f841860e6eab7d52f6c023d2c001075aad5dc3d656ceb6e92650589acc472fa5c8954fd9ab81ec0b737e377284b WHIRLPOOL 66794b7250cdb077bcbeb2b95a464aecc684f7592d81f3db4a3702195ef1d8404eb4b1f38e6c1dd859a42dd8ca1ebd039cbac4d9fd11be99a376168f2c498cdd
@@ -9,3 +10,4 @@ DIST lammps-22Jul15.tar.gz 67275212 SHA256 b75cdf8ead17f20433737c203c8d29c0cc3e1
DIST lammps-24Jul15.tar.gz 67180142 SHA256 bd183f7b073e1ca86656a8f6ea99195123ce3c7829c872ca45216da4132ff96d SHA512 e285a1f326658bd23f32ecf9409d9f0bf16ed635656bbcee0d84da58e1c008363c7815001bcaa5b7701d99b3318a56240b021447e94754607c2ceb178e377122 WHIRLPOOL 003237f8e9a7caec98aa1f8f0c5e03c0cda6d60f20460e32c4eea3c92707e349f4e1a71510f1290b6e6aeac1621951080f904b1bb2224c8eb9e25067206d2b1b
DIST lammps-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87
DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
+DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af
diff --git a/sci-physics/lammps/lammps-20150909.ebuild b/sci-physics/lammps/lammps-20150909.ebuild
new file mode 100644
index 0000000..5400e87
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150909.ebuild
@@ -0,0 +1,267 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ case $1 in
+ 01) echo Jan
+ ;;
+ 02) echo Feb
+ ;;
+ 03) echo Mar
+ ;;
+ 04) echo Apr
+ ;;
+ 05) echo May
+ ;;
+ 06) echo Jun
+ ;;
+ 07) echo Jul
+ ;;
+ 08) echo Aug
+ ;;
+ 09) echo Sep
+ ;;
+ 10) echo Oct
+ ;;
+ 11) echo Nov
+ ;;
+ 12) echo Dec
+ ;;
+ *) echo unknown
+ ;;
+ esac
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE=$(tc-getAR) \
+ CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+ LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC=$(usex mpi "" "-I../STUBS") \
+ MPI_PATH=$(usex mpi "" "-L../STUBS") \
+ MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ lmp_emake -C src yes-asphere
+ lmp_emake -C src yes-body
+ lmp_emake -C src yes-class2
+ lmp_emake -C src yes-colloid
+ lmp_emake -C src yes-coreshell
+ lmp_emake -C src yes-dipole
+ lmp_emake -C src yes-fld
+ #lmp_emake -C src yes-gpu
+ lmp_emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #lmp_emake -C src yes-kim
+ # Need Kokkos external dependency.
+ #lmp_emake -C src yes-kokkos
+ lmp_emake -C src yes-kspace
+ lmp_emake -C src yes-manybody
+ lmp_emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -C src yes-misc
+ lmp_emake -C src yes-molecule
+ #lmp_emake -C src yes-mpiio
+ lmp_emake -C src yes-opt
+ lmp_emake -C src yes-peri
+ lmp_emake -C src yes-poems
+ lmp_emake -C src yes-qeq
+ lmp_emake -C src yes-reax
+ lmp_emake -C src yes-replica
+ lmp_emake -C src yes-rigid
+ lmp_emake -C src yes-shock
+ lmp_emake -C src yes-snap
+ lmp_emake -C src yes-srd
+ lmp_emake -C src yes-voronoi
+ lmp_emake -C src yes-xtc
+
+ if use mpi; then
+ lmp_emake -C src yes-user-atc
+ fi
+ lmp_emake -C src yes-user-eff
+ lmp_emake -C src yes-user-fep
+ use mpi && lmp_emake -C src yes-user-lb
+ lmp_emake -C src yes-user-phonon
+ lmp_emake -C src yes-user-sph
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
diff --git a/sci-physics/lammps/lammps-20150911.ebuild b/sci-physics/lammps/lammps-20150911.ebuild
new file mode 100644
index 0000000..5400e87
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150911.ebuild
@@ -0,0 +1,267 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ case $1 in
+ 01) echo Jan
+ ;;
+ 02) echo Feb
+ ;;
+ 03) echo Mar
+ ;;
+ 04) echo Apr
+ ;;
+ 05) echo May
+ ;;
+ 06) echo Jun
+ ;;
+ 07) echo Jul
+ ;;
+ 08) echo Aug
+ ;;
+ 09) echo Sep
+ ;;
+ 10) echo Oct
+ ;;
+ 11) echo Nov
+ ;;
+ 12) echo Dec
+ ;;
+ *) echo unknown
+ ;;
+ esac
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE=$(tc-getAR) \
+ CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+ LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC=$(usex mpi "" "-I../STUBS") \
+ MPI_PATH=$(usex mpi "" "-L../STUBS") \
+ MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ lmp_emake -C src yes-asphere
+ lmp_emake -C src yes-body
+ lmp_emake -C src yes-class2
+ lmp_emake -C src yes-colloid
+ lmp_emake -C src yes-coreshell
+ lmp_emake -C src yes-dipole
+ lmp_emake -C src yes-fld
+ #lmp_emake -C src yes-gpu
+ lmp_emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #lmp_emake -C src yes-kim
+ # Need Kokkos external dependency.
+ #lmp_emake -C src yes-kokkos
+ lmp_emake -C src yes-kspace
+ lmp_emake -C src yes-manybody
+ lmp_emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -C src yes-misc
+ lmp_emake -C src yes-molecule
+ #lmp_emake -C src yes-mpiio
+ lmp_emake -C src yes-opt
+ lmp_emake -C src yes-peri
+ lmp_emake -C src yes-poems
+ lmp_emake -C src yes-qeq
+ lmp_emake -C src yes-reax
+ lmp_emake -C src yes-replica
+ lmp_emake -C src yes-rigid
+ lmp_emake -C src yes-shock
+ lmp_emake -C src yes-snap
+ lmp_emake -C src yes-srd
+ lmp_emake -C src yes-voronoi
+ lmp_emake -C src yes-xtc
+
+ if use mpi; then
+ lmp_emake -C src yes-user-atc
+ fi
+ lmp_emake -C src yes-user-eff
+ lmp_emake -C src yes-user-fep
+ use mpi && lmp_emake -C src yes-user-lb
+ lmp_emake -C src yes-user-phonon
+ lmp_emake -C src yes-user-sph
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-09-17 10:51 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-09-17 10:51 UTC (permalink / raw
To: gentoo-commits
commit: ad9cd10d3ff0268ee448dfee7dfab647798cc02d
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Thu Sep 17 10:50:41 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Thu Sep 17 10:51:31 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=ad9cd10d
sci-physics/lammps: Removing old packages.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 4 -
sci-physics/lammps/lammps-20150718.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20150721.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20150722.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20150724.ebuild | 267 ------------------------------
5 files changed, 1072 deletions(-)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 1bad744..6145431 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -3,11 +3,7 @@ DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e0
DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
DIST lammps-18Aug15.tar.gz 87893731 SHA256 513237934cda7c1e026f4983096fd53cb510fadee12c55b13b4735086155245a SHA512 5816509f5b988dbe74c9f40a9faa42b3bcf260388dfe70703a1544517acd3f868d3bc398fb4c2fa7713d24409075d44ad80b8e91a25a28db783c2605aff30977 WHIRLPOOL 7022f3aabadffdfa2ef4c8219589e46fba2572d9ed4b52591f6516a61d4895b39d637d88535ba83881db5d48661e34ca6ff2f22a6819dbec015af979721a0f53
-DIST lammps-18Jul15.tar.gz 66065642 SHA256 deb6625b7c21cf94fc7ee9aefb2edf55a6c8dc870e919028c9ffa1cd169d57ed SHA512 d26dd0084779e037af35bc26f81cdca5a7617f841860e6eab7d52f6c023d2c001075aad5dc3d656ceb6e92650589acc472fa5c8954fd9ab81ec0b737e377284b WHIRLPOOL 66794b7250cdb077bcbeb2b95a464aecc684f7592d81f3db4a3702195ef1d8404eb4b1f38e6c1dd859a42dd8ca1ebd039cbac4d9fd11be99a376168f2c498cdd
DIST lammps-21Aug15.tar.gz 87096749 SHA256 46f68e7b61e50ab3e790c53cadd82fde7c7aa58aa73e8a3257f24facff2ed0a4 SHA512 b1dd90890c43a6cf55a57a61279dcc4c10fdedb4ad90f225a06c0e93eb139d30f2d56baa233c081b38adeeb0a8419a0315ccc4b0fa15c3ffbf7db626ca261e9d WHIRLPOOL a1d7d4ab30f9ecca3fd64216e729fef6fa1b3f7a6698b9eaf104bcbfa03a66862cd8c5882e94f73e841064d94bf030aaf569ebb457d89fbd345b391f9cee6822
-DIST lammps-21Jul15.tar.gz 66715434 SHA256 2e24a7b6131a35ef83cec08f4dc9f7cc5188c59a630ba61f2a8ac3cfbd284ef7 SHA512 cbf39b3559ac60d5ad92299370bf9af76c0bd7fec62dbaa429d5127d561978426d16b03510b815ffeb6b0acdb362523809adf7ac3fbc2fea8cc484010b1ef7bc WHIRLPOOL 41df92b1f5baf52e846032f12c80f813b84fcd1c71f8c7dad5594780da154345d1b1bdea6b68f4c4b71029346d74d4ff3a813f1101437a01be65df7cf6d0d246
-DIST lammps-22Jul15.tar.gz 67275212 SHA256 b75cdf8ead17f20433737c203c8d29c0cc3e157c9b3d175093467873aea0b869 SHA512 f6e5eaf3ca8bcd25a580a4608e0aec0021f2ed5eb23cf9ccd0a707cb8bc320568504ccffc25cccb5acfe2fc3515c58f8afc8936aea63acb3062bdc897a5eb2ee WHIRLPOOL 13c09e1045a0bdabe15e2125ccef0ea622cb12fcce63d8441b7f9843b8f1a3f7aa0c13908a2e215c1fdba8a579a17a5833111b5cf31a2471bf66e781ef281c59
-DIST lammps-24Jul15.tar.gz 67180142 SHA256 bd183f7b073e1ca86656a8f6ea99195123ce3c7829c872ca45216da4132ff96d SHA512 e285a1f326658bd23f32ecf9409d9f0bf16ed635656bbcee0d84da58e1c008363c7815001bcaa5b7701d99b3318a56240b021447e94754607c2ceb178e377122 WHIRLPOOL 003237f8e9a7caec98aa1f8f0c5e03c0cda6d60f20460e32c4eea3c92707e349f4e1a71510f1290b6e6aeac1621951080f904b1bb2224c8eb9e25067206d2b1b
DIST lammps-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87
DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af
diff --git a/sci-physics/lammps/lammps-20150718.ebuild b/sci-physics/lammps/lammps-20150718.ebuild
deleted file mode 100644
index 020cfbd..0000000
--- a/sci-physics/lammps/lammps-20150718.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150721.ebuild b/sci-physics/lammps/lammps-20150721.ebuild
deleted file mode 100644
index 020cfbd..0000000
--- a/sci-physics/lammps/lammps-20150721.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150722.ebuild b/sci-physics/lammps/lammps-20150722.ebuild
deleted file mode 100644
index 020cfbd..0000000
--- a/sci-physics/lammps/lammps-20150722.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150724.ebuild b/sci-physics/lammps/lammps-20150724.ebuild
deleted file mode 100644
index 020cfbd..0000000
--- a/sci-physics/lammps/lammps-20150724.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-09-24 10:36 Agostino Sarubbo
0 siblings, 0 replies; 80+ messages in thread
From: Agostino Sarubbo @ 2015-09-24 10:36 UTC (permalink / raw
To: gentoo-commits
commit: 87af44ef3eefc9e59df5ffe2d7dec03853400e88
Author: Agostino Sarubbo <ago <AT> gentoo <DOT> org>
AuthorDate: Thu Sep 24 10:34:57 2015 +0000
Commit: Agostino Sarubbo <ago <AT> gentoo <DOT> org>
CommitDate: Thu Sep 24 10:34:57 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=87af44ef
sci-physics/lammps: amd64 stable wrt bug #560700
Package-Manager: portage-2.2.20.1
RepoMan-Options: --include-arches="amd64"
sci-physics/lammps/lammps-20150810.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20150810.ebuild b/sci-physics/lammps/lammps-20150810.ebuild
index 1a244c8..ee3d68a 100644
--- a/sci-physics/lammps/lammps-20150810.ebuild
+++ b/sci-physics/lammps/lammps-20150810.ebuild
@@ -47,7 +47,7 @@ SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="~amd64 ~x86"
+KEYWORDS="amd64 ~x86"
IUSE="doc examples gzip lammps-memalign mpi python static-libs"
DEPEND="
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-09-24 23:04 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-09-24 23:04 UTC (permalink / raw
To: gentoo-commits
commit: 2c611553c4523191b2e9949de97db3166d14a3f0
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Thu Sep 24 23:03:42 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Thu Sep 24 23:04:14 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=2c611553
sci-physics/lammps: Version bump.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20150924.ebuild | 267 ++++++++++++++++++++++++++++++
2 files changed, 268 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 6145431..5562a01 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -4,6 +4,7 @@ DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec06
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
DIST lammps-18Aug15.tar.gz 87893731 SHA256 513237934cda7c1e026f4983096fd53cb510fadee12c55b13b4735086155245a SHA512 5816509f5b988dbe74c9f40a9faa42b3bcf260388dfe70703a1544517acd3f868d3bc398fb4c2fa7713d24409075d44ad80b8e91a25a28db783c2605aff30977 WHIRLPOOL 7022f3aabadffdfa2ef4c8219589e46fba2572d9ed4b52591f6516a61d4895b39d637d88535ba83881db5d48661e34ca6ff2f22a6819dbec015af979721a0f53
DIST lammps-21Aug15.tar.gz 87096749 SHA256 46f68e7b61e50ab3e790c53cadd82fde7c7aa58aa73e8a3257f24facff2ed0a4 SHA512 b1dd90890c43a6cf55a57a61279dcc4c10fdedb4ad90f225a06c0e93eb139d30f2d56baa233c081b38adeeb0a8419a0315ccc4b0fa15c3ffbf7db626ca261e9d WHIRLPOOL a1d7d4ab30f9ecca3fd64216e729fef6fa1b3f7a6698b9eaf104bcbfa03a66862cd8c5882e94f73e841064d94bf030aaf569ebb457d89fbd345b391f9cee6822
+DIST lammps-24Sep15.tar.gz 87307191 SHA256 e03cdeb2b3b6107d98969febea26575c85590603ab4f79d26efc46bac6d6cc60 SHA512 356dd556f845cec456865062375120c0898cef1870617d80b31b0e8e964585140120b21f891cd9b40ecde7aaf43beb34d7b15396830e08273624a9b14da551e4 WHIRLPOOL 667b8aaf927d268c569a192c835b7dbdc80a0f25abb1f2c96007517ea218a69b2816dde4ebe28ca82974d01472c0e1126b67e89a19fb3ef49e4020f3d9c69fba
DIST lammps-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87
DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af
diff --git a/sci-physics/lammps/lammps-20150924.ebuild b/sci-physics/lammps/lammps-20150924.ebuild
new file mode 100644
index 0000000..5400e87
--- /dev/null
+++ b/sci-physics/lammps/lammps-20150924.ebuild
@@ -0,0 +1,267 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ case $1 in
+ 01) echo Jan
+ ;;
+ 02) echo Feb
+ ;;
+ 03) echo Mar
+ ;;
+ 04) echo Apr
+ ;;
+ 05) echo May
+ ;;
+ 06) echo Jun
+ ;;
+ 07) echo Jul
+ ;;
+ 08) echo Aug
+ ;;
+ 09) echo Sep
+ ;;
+ 10) echo Oct
+ ;;
+ 11) echo Nov
+ ;;
+ 12) echo Dec
+ ;;
+ *) echo unknown
+ ;;
+ esac
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE=$(tc-getAR) \
+ CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+ LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC=$(usex mpi "" "-I../STUBS") \
+ MPI_PATH=$(usex mpi "" "-L../STUBS") \
+ MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ lmp_emake -C src yes-asphere
+ lmp_emake -C src yes-body
+ lmp_emake -C src yes-class2
+ lmp_emake -C src yes-colloid
+ lmp_emake -C src yes-coreshell
+ lmp_emake -C src yes-dipole
+ lmp_emake -C src yes-fld
+ #lmp_emake -C src yes-gpu
+ lmp_emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #lmp_emake -C src yes-kim
+ # Need Kokkos external dependency.
+ #lmp_emake -C src yes-kokkos
+ lmp_emake -C src yes-kspace
+ lmp_emake -C src yes-manybody
+ lmp_emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -C src yes-misc
+ lmp_emake -C src yes-molecule
+ #lmp_emake -C src yes-mpiio
+ lmp_emake -C src yes-opt
+ lmp_emake -C src yes-peri
+ lmp_emake -C src yes-poems
+ lmp_emake -C src yes-qeq
+ lmp_emake -C src yes-reax
+ lmp_emake -C src yes-replica
+ lmp_emake -C src yes-rigid
+ lmp_emake -C src yes-shock
+ lmp_emake -C src yes-snap
+ lmp_emake -C src yes-srd
+ lmp_emake -C src yes-voronoi
+ lmp_emake -C src yes-xtc
+
+ if use mpi; then
+ lmp_emake -C src yes-user-atc
+ fi
+ lmp_emake -C src yes-user-eff
+ lmp_emake -C src yes-user-fep
+ use mpi && lmp_emake -C src yes-user-lb
+ lmp_emake -C src yes-user-phonon
+ lmp_emake -C src yes-user-sph
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-09-25 14:13 Agostino Sarubbo
0 siblings, 0 replies; 80+ messages in thread
From: Agostino Sarubbo @ 2015-09-25 14:13 UTC (permalink / raw
To: gentoo-commits
commit: 11947660066cbb80e9ea1e1d47dccc66ab5a09c1
Author: Agostino Sarubbo <ago <AT> gentoo <DOT> org>
AuthorDate: Fri Sep 25 14:13:15 2015 +0000
Commit: Agostino Sarubbo <ago <AT> gentoo <DOT> org>
CommitDate: Fri Sep 25 14:13:15 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=11947660
sci-physics/lammps: x86 stable wrt bug #560700
Package-Manager: portage-2.2.20.1
RepoMan-Options: --include-arches="x86"
sci-physics/lammps/lammps-20150810.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20150810.ebuild b/sci-physics/lammps/lammps-20150810.ebuild
index ee3d68a..ccd913c 100644
--- a/sci-physics/lammps/lammps-20150810.ebuild
+++ b/sci-physics/lammps/lammps-20150810.ebuild
@@ -47,7 +47,7 @@ SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="amd64 ~x86"
+KEYWORDS="amd64 x86"
IUSE="doc examples gzip lammps-memalign mpi python static-libs"
DEPEND="
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-10-08 12:32 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-10-08 12:32 UTC (permalink / raw
To: gentoo-commits
commit: 379b7d2b4be5ebc8a952f2531e07396ba8d24a96
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Thu Oct 8 12:31:31 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Thu Oct 8 12:32:01 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=379b7d2b
sci-physics/lammps: Version bump.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20151005.ebuild | 267 ++++++++++++++++++++++++++++++
2 files changed, 268 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 5562a01..9d1cdf0 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -7,4 +7,5 @@ DIST lammps-21Aug15.tar.gz 87096749 SHA256 46f68e7b61e50ab3e790c53cadd82fde7c7aa
DIST lammps-24Sep15.tar.gz 87307191 SHA256 e03cdeb2b3b6107d98969febea26575c85590603ab4f79d26efc46bac6d6cc60 SHA512 356dd556f845cec456865062375120c0898cef1870617d80b31b0e8e964585140120b21f891cd9b40ecde7aaf43beb34d7b15396830e08273624a9b14da551e4 WHIRLPOOL 667b8aaf927d268c569a192c835b7dbdc80a0f25abb1f2c96007517ea218a69b2816dde4ebe28ca82974d01472c0e1126b67e89a19fb3ef49e4020f3d9c69fba
DIST lammps-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87
DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
+DIST lammps-5Oct15.tar.gz 88451532 SHA256 a76f92ae05b99f9257abf7d79d9365c5743fa5a16b941a5e40f74036c5879211 SHA512 e0a034778cd5e3b9a27c9fc6257f1f7a6a9161732cd83bac2c4b0f82c39d5a6a385bb4640322478bfbe9467afb28b998cd19108b3d4a21e369b80c39a486e065 WHIRLPOOL 291e7820d4736421aeda9a1295854bd7b52d8ca3f14900e9394373410ee5db02ad6ab53991cf4dc8e73328b24fa44659d10693aca7cb48301227299ad622ce31
DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af
diff --git a/sci-physics/lammps/lammps-20151005.ebuild b/sci-physics/lammps/lammps-20151005.ebuild
new file mode 100644
index 0000000..5400e87
--- /dev/null
+++ b/sci-physics/lammps/lammps-20151005.ebuild
@@ -0,0 +1,267 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ case $1 in
+ 01) echo Jan
+ ;;
+ 02) echo Feb
+ ;;
+ 03) echo Mar
+ ;;
+ 04) echo Apr
+ ;;
+ 05) echo May
+ ;;
+ 06) echo Jun
+ ;;
+ 07) echo Jul
+ ;;
+ 08) echo Aug
+ ;;
+ 09) echo Sep
+ ;;
+ 10) echo Oct
+ ;;
+ 11) echo Nov
+ ;;
+ 12) echo Dec
+ ;;
+ *) echo unknown
+ ;;
+ esac
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE=$(tc-getAR) \
+ CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+ LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC=$(usex mpi "" "-I../STUBS") \
+ MPI_PATH=$(usex mpi "" "-L../STUBS") \
+ MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ lmp_emake -C src yes-asphere
+ lmp_emake -C src yes-body
+ lmp_emake -C src yes-class2
+ lmp_emake -C src yes-colloid
+ lmp_emake -C src yes-coreshell
+ lmp_emake -C src yes-dipole
+ lmp_emake -C src yes-fld
+ #lmp_emake -C src yes-gpu
+ lmp_emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #lmp_emake -C src yes-kim
+ # Need Kokkos external dependency.
+ #lmp_emake -C src yes-kokkos
+ lmp_emake -C src yes-kspace
+ lmp_emake -C src yes-manybody
+ lmp_emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -C src yes-misc
+ lmp_emake -C src yes-molecule
+ #lmp_emake -C src yes-mpiio
+ lmp_emake -C src yes-opt
+ lmp_emake -C src yes-peri
+ lmp_emake -C src yes-poems
+ lmp_emake -C src yes-qeq
+ lmp_emake -C src yes-reax
+ lmp_emake -C src yes-replica
+ lmp_emake -C src yes-rigid
+ lmp_emake -C src yes-shock
+ lmp_emake -C src yes-snap
+ lmp_emake -C src yes-srd
+ lmp_emake -C src yes-voronoi
+ lmp_emake -C src yes-xtc
+
+ if use mpi; then
+ lmp_emake -C src yes-user-atc
+ fi
+ lmp_emake -C src yes-user-eff
+ lmp_emake -C src yes-user-fep
+ use mpi && lmp_emake -C src yes-user-lb
+ lmp_emake -C src yes-user-phonon
+ lmp_emake -C src yes-user-sph
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-10-22 22:08 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-10-22 22:08 UTC (permalink / raw
To: gentoo-commits
commit: 308bb0c246b672de7cf3b775602df68ec15d5bdd
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Thu Oct 22 22:07:33 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Thu Oct 22 22:08:21 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=308bb0c2
sci-physics/lammps: Version bump.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20151022.ebuild | 267 ++++++++++++++++++++++++++++++
2 files changed, 268 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 9d1cdf0..8d361b7 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -4,6 +4,7 @@ DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec06
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
DIST lammps-18Aug15.tar.gz 87893731 SHA256 513237934cda7c1e026f4983096fd53cb510fadee12c55b13b4735086155245a SHA512 5816509f5b988dbe74c9f40a9faa42b3bcf260388dfe70703a1544517acd3f868d3bc398fb4c2fa7713d24409075d44ad80b8e91a25a28db783c2605aff30977 WHIRLPOOL 7022f3aabadffdfa2ef4c8219589e46fba2572d9ed4b52591f6516a61d4895b39d637d88535ba83881db5d48661e34ca6ff2f22a6819dbec015af979721a0f53
DIST lammps-21Aug15.tar.gz 87096749 SHA256 46f68e7b61e50ab3e790c53cadd82fde7c7aa58aa73e8a3257f24facff2ed0a4 SHA512 b1dd90890c43a6cf55a57a61279dcc4c10fdedb4ad90f225a06c0e93eb139d30f2d56baa233c081b38adeeb0a8419a0315ccc4b0fa15c3ffbf7db626ca261e9d WHIRLPOOL a1d7d4ab30f9ecca3fd64216e729fef6fa1b3f7a6698b9eaf104bcbfa03a66862cd8c5882e94f73e841064d94bf030aaf569ebb457d89fbd345b391f9cee6822
+DIST lammps-22Oct15.tar.gz 87938562 SHA256 8376b52e8eef4d1c3628c15ff358ecf74303e308566f41fd055701f6af3b6484 SHA512 cbe61420cccd11cd444423214802dfd2d1b2b1b28511a53dbf22e993fa3592404e8dda29fcb7bcd4e6e2d1e2251ddc6f020d48bafa66c8fceaa27d4af2e21640 WHIRLPOOL 11d09b18ff742d6ac4fcb400df93d7ac29144ee554f7241e58da80d039a99ef23b4b81709170ed12215693de97b6b48c9a6967d7d0539fd7f2f172a1e0a83661
DIST lammps-24Sep15.tar.gz 87307191 SHA256 e03cdeb2b3b6107d98969febea26575c85590603ab4f79d26efc46bac6d6cc60 SHA512 356dd556f845cec456865062375120c0898cef1870617d80b31b0e8e964585140120b21f891cd9b40ecde7aaf43beb34d7b15396830e08273624a9b14da551e4 WHIRLPOOL 667b8aaf927d268c569a192c835b7dbdc80a0f25abb1f2c96007517ea218a69b2816dde4ebe28ca82974d01472c0e1126b67e89a19fb3ef49e4020f3d9c69fba
DIST lammps-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87
DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
diff --git a/sci-physics/lammps/lammps-20151022.ebuild b/sci-physics/lammps/lammps-20151022.ebuild
new file mode 100644
index 0000000..5400e87
--- /dev/null
+++ b/sci-physics/lammps/lammps-20151022.ebuild
@@ -0,0 +1,267 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ case $1 in
+ 01) echo Jan
+ ;;
+ 02) echo Feb
+ ;;
+ 03) echo Mar
+ ;;
+ 04) echo Apr
+ ;;
+ 05) echo May
+ ;;
+ 06) echo Jun
+ ;;
+ 07) echo Jul
+ ;;
+ 08) echo Aug
+ ;;
+ 09) echo Sep
+ ;;
+ 10) echo Oct
+ ;;
+ 11) echo Nov
+ ;;
+ 12) echo Dec
+ ;;
+ *) echo unknown
+ ;;
+ esac
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE=$(tc-getAR) \
+ CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+ LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC=$(usex mpi "" "-I../STUBS") \
+ MPI_PATH=$(usex mpi "" "-L../STUBS") \
+ MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ lmp_emake -C src yes-asphere
+ lmp_emake -C src yes-body
+ lmp_emake -C src yes-class2
+ lmp_emake -C src yes-colloid
+ lmp_emake -C src yes-coreshell
+ lmp_emake -C src yes-dipole
+ lmp_emake -C src yes-fld
+ #lmp_emake -C src yes-gpu
+ lmp_emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #lmp_emake -C src yes-kim
+ # Need Kokkos external dependency.
+ #lmp_emake -C src yes-kokkos
+ lmp_emake -C src yes-kspace
+ lmp_emake -C src yes-manybody
+ lmp_emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -C src yes-misc
+ lmp_emake -C src yes-molecule
+ #lmp_emake -C src yes-mpiio
+ lmp_emake -C src yes-opt
+ lmp_emake -C src yes-peri
+ lmp_emake -C src yes-poems
+ lmp_emake -C src yes-qeq
+ lmp_emake -C src yes-reax
+ lmp_emake -C src yes-replica
+ lmp_emake -C src yes-rigid
+ lmp_emake -C src yes-shock
+ lmp_emake -C src yes-snap
+ lmp_emake -C src yes-srd
+ lmp_emake -C src yes-voronoi
+ lmp_emake -C src yes-xtc
+
+ if use mpi; then
+ lmp_emake -C src yes-user-atc
+ fi
+ lmp_emake -C src yes-user-eff
+ lmp_emake -C src yes-user-fep
+ use mpi && lmp_emake -C src yes-user-lb
+ lmp_emake -C src yes-user-phonon
+ lmp_emake -C src yes-user-sph
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-10-23 12:09 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-10-23 12:09 UTC (permalink / raw
To: gentoo-commits
commit: 9c34dfc592f7a74e9cbbbfa26e17d2a74860dd20
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Fri Oct 23 12:08:31 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Fri Oct 23 12:09:17 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=9c34dfc5
sci-physics/lammps: Simplified convert_month() function.
Suggested by: hasufell <AT> gentoo.org
Package-Manager: portage-2.2.20.1
sci-physics/lammps/lammps-20151022.ebuild | 30 ++----------------------------
1 file changed, 2 insertions(+), 28 deletions(-)
diff --git a/sci-physics/lammps/lammps-20151022.ebuild b/sci-physics/lammps/lammps-20151022.ebuild
index 5400e87..39fd779 100644
--- a/sci-physics/lammps/lammps-20151022.ebuild
+++ b/sci-physics/lammps/lammps-20151022.ebuild
@@ -9,34 +9,8 @@ PYTHON_COMPAT=( python{2_7,3_3} )
inherit eutils flag-o-matic fortran-2 multilib python-r1
convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
}
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-10-28 12:11 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-10-28 12:11 UTC (permalink / raw
To: gentoo-commits
commit: 1d2e24fed8135675a7ddafee37dad9b6f3d27add
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Wed Oct 28 12:10:21 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Wed Oct 28 12:11:10 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=1d2e24fe
sci-physics/lammps: Version bump.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 2 +
sci-physics/lammps/lammps-20151023.ebuild | 241 ++++++++++++++++++++++++++++++
sci-physics/lammps/lammps-20151026.ebuild | 241 ++++++++++++++++++++++++++++++
3 files changed, 484 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 8d361b7..65e5628 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -5,7 +5,9 @@ DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000
DIST lammps-18Aug15.tar.gz 87893731 SHA256 513237934cda7c1e026f4983096fd53cb510fadee12c55b13b4735086155245a SHA512 5816509f5b988dbe74c9f40a9faa42b3bcf260388dfe70703a1544517acd3f868d3bc398fb4c2fa7713d24409075d44ad80b8e91a25a28db783c2605aff30977 WHIRLPOOL 7022f3aabadffdfa2ef4c8219589e46fba2572d9ed4b52591f6516a61d4895b39d637d88535ba83881db5d48661e34ca6ff2f22a6819dbec015af979721a0f53
DIST lammps-21Aug15.tar.gz 87096749 SHA256 46f68e7b61e50ab3e790c53cadd82fde7c7aa58aa73e8a3257f24facff2ed0a4 SHA512 b1dd90890c43a6cf55a57a61279dcc4c10fdedb4ad90f225a06c0e93eb139d30f2d56baa233c081b38adeeb0a8419a0315ccc4b0fa15c3ffbf7db626ca261e9d WHIRLPOOL a1d7d4ab30f9ecca3fd64216e729fef6fa1b3f7a6698b9eaf104bcbfa03a66862cd8c5882e94f73e841064d94bf030aaf569ebb457d89fbd345b391f9cee6822
DIST lammps-22Oct15.tar.gz 87938562 SHA256 8376b52e8eef4d1c3628c15ff358ecf74303e308566f41fd055701f6af3b6484 SHA512 cbe61420cccd11cd444423214802dfd2d1b2b1b28511a53dbf22e993fa3592404e8dda29fcb7bcd4e6e2d1e2251ddc6f020d48bafa66c8fceaa27d4af2e21640 WHIRLPOOL 11d09b18ff742d6ac4fcb400df93d7ac29144ee554f7241e58da80d039a99ef23b4b81709170ed12215693de97b6b48c9a6967d7d0539fd7f2f172a1e0a83661
+DIST lammps-23Oct15.tar.gz 87933918 SHA256 3500cdeb22344c7f3a040834a232d6c5ddb9f601820794441fcc24dadedc49b6 SHA512 a26d214b3e7c47d63cf00a364753a829d1c8f0cf4f8b73e829a4463650303d6905b6c942df5890387413b44496c8615b286296b34df9181e54806bb2f361b39a WHIRLPOOL 9a2d6e8fb57f1af2969345d9b250ed1244d2e40c97d5e2994c0ef6225ca265b490809848faa7cdc29a3eaa7c51a6223320039863f6c382a1a51da6f474e52088
DIST lammps-24Sep15.tar.gz 87307191 SHA256 e03cdeb2b3b6107d98969febea26575c85590603ab4f79d26efc46bac6d6cc60 SHA512 356dd556f845cec456865062375120c0898cef1870617d80b31b0e8e964585140120b21f891cd9b40ecde7aaf43beb34d7b15396830e08273624a9b14da551e4 WHIRLPOOL 667b8aaf927d268c569a192c835b7dbdc80a0f25abb1f2c96007517ea218a69b2816dde4ebe28ca82974d01472c0e1126b67e89a19fb3ef49e4020f3d9c69fba
+DIST lammps-26Oct15.tar.gz 89265403 SHA256 c69356b3056881cbbb7eb659eb9cd4fc9d86e7f010502fe47c91ed865cbabea7 SHA512 738cd9fb7b11cb1e7304814ac4463d534f0a5dda1c70cc483d3c19b038c15cd61a2c03c6972cccc69afbe42d88bf01ef33d0972bba9516a840026891fc3f144a WHIRLPOOL c7c7882e32b026cdba0d5bceb1ecfa4127e77edeb9d567760e19d6103109fdf9cefe79a17fd6e3291d04347984cfdb1a999136ead0be20f0173a73e53f106d95
DIST lammps-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87
DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
DIST lammps-5Oct15.tar.gz 88451532 SHA256 a76f92ae05b99f9257abf7d79d9365c5743fa5a16b941a5e40f74036c5879211 SHA512 e0a034778cd5e3b9a27c9fc6257f1f7a6a9161732cd83bac2c4b0f82c39d5a6a385bb4640322478bfbe9467afb28b998cd19108b3d4a21e369b80c39a486e065 WHIRLPOOL 291e7820d4736421aeda9a1295854bd7b52d8ca3f14900e9394373410ee5db02ad6ab53991cf4dc8e73328b24fa44659d10693aca7cb48301227299ad622ce31
diff --git a/sci-physics/lammps/lammps-20151023.ebuild b/sci-physics/lammps/lammps-20151023.ebuild
new file mode 100644
index 0000000..39fd779
--- /dev/null
+++ b/sci-physics/lammps/lammps-20151023.ebuild
@@ -0,0 +1,241 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE=$(tc-getAR) \
+ CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+ LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC=$(usex mpi "" "-I../STUBS") \
+ MPI_PATH=$(usex mpi "" "-L../STUBS") \
+ MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ lmp_emake -C src yes-asphere
+ lmp_emake -C src yes-body
+ lmp_emake -C src yes-class2
+ lmp_emake -C src yes-colloid
+ lmp_emake -C src yes-coreshell
+ lmp_emake -C src yes-dipole
+ lmp_emake -C src yes-fld
+ #lmp_emake -C src yes-gpu
+ lmp_emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #lmp_emake -C src yes-kim
+ # Need Kokkos external dependency.
+ #lmp_emake -C src yes-kokkos
+ lmp_emake -C src yes-kspace
+ lmp_emake -C src yes-manybody
+ lmp_emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -C src yes-misc
+ lmp_emake -C src yes-molecule
+ #lmp_emake -C src yes-mpiio
+ lmp_emake -C src yes-opt
+ lmp_emake -C src yes-peri
+ lmp_emake -C src yes-poems
+ lmp_emake -C src yes-qeq
+ lmp_emake -C src yes-reax
+ lmp_emake -C src yes-replica
+ lmp_emake -C src yes-rigid
+ lmp_emake -C src yes-shock
+ lmp_emake -C src yes-snap
+ lmp_emake -C src yes-srd
+ lmp_emake -C src yes-voronoi
+ lmp_emake -C src yes-xtc
+
+ if use mpi; then
+ lmp_emake -C src yes-user-atc
+ fi
+ lmp_emake -C src yes-user-eff
+ lmp_emake -C src yes-user-fep
+ use mpi && lmp_emake -C src yes-user-lb
+ lmp_emake -C src yes-user-phonon
+ lmp_emake -C src yes-user-sph
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
diff --git a/sci-physics/lammps/lammps-20151026.ebuild b/sci-physics/lammps/lammps-20151026.ebuild
new file mode 100644
index 0000000..39fd779
--- /dev/null
+++ b/sci-physics/lammps/lammps-20151026.ebuild
@@ -0,0 +1,241 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE=$(tc-getAR) \
+ CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ F90=$(usex mpi "mpif90" "$(tc-getFC)") \
+ LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC=$(usex mpi "" "-I../STUBS") \
+ MPI_PATH=$(usex mpi "" "-L../STUBS") \
+ MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ lmp_emake -C src yes-asphere
+ lmp_emake -C src yes-body
+ lmp_emake -C src yes-class2
+ lmp_emake -C src yes-colloid
+ lmp_emake -C src yes-coreshell
+ lmp_emake -C src yes-dipole
+ lmp_emake -C src yes-fld
+ #lmp_emake -C src yes-gpu
+ lmp_emake -C src yes-granular
+ # Need OpenKIM external dependency.
+ #lmp_emake -C src yes-kim
+ # Need Kokkos external dependency.
+ #lmp_emake -C src yes-kokkos
+ lmp_emake -C src yes-kspace
+ lmp_emake -C src yes-manybody
+ lmp_emake -C src yes-mc
+ lmp_emake -C src yes-meam
+ lmp_emake -C src yes-misc
+ lmp_emake -C src yes-molecule
+ #lmp_emake -C src yes-mpiio
+ lmp_emake -C src yes-opt
+ lmp_emake -C src yes-peri
+ lmp_emake -C src yes-poems
+ lmp_emake -C src yes-qeq
+ lmp_emake -C src yes-reax
+ lmp_emake -C src yes-replica
+ lmp_emake -C src yes-rigid
+ lmp_emake -C src yes-shock
+ lmp_emake -C src yes-snap
+ lmp_emake -C src yes-srd
+ lmp_emake -C src yes-voronoi
+ lmp_emake -C src yes-xtc
+
+ if use mpi; then
+ lmp_emake -C src yes-user-atc
+ fi
+ lmp_emake -C src yes-user-eff
+ lmp_emake -C src yes-user-fep
+ use mpi && lmp_emake -C src yes-user-lb
+ lmp_emake -C src yes-user-phonon
+ lmp_emake -C src yes-user-sph
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-10-28 12:25 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-10-28 12:25 UTC (permalink / raw
To: gentoo-commits
commit: 4977c2bf7cf1cb6821e5eaea276a89803a06f8ea
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Wed Oct 28 12:25:14 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Wed Oct 28 12:25:14 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=4977c2bf
sci-physics/lammps: Add python-3.4 support to latest version.
Package-Manager: portage-2.2.20.1
sci-physics/lammps/lammps-20151026.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20151026.ebuild b/sci-physics/lammps/lammps-20151026.ebuild
index 39fd779..2c75712 100644
--- a/sci-physics/lammps/lammps-20151026.ebuild
+++ b/sci-physics/lammps/lammps-20151026.ebuild
@@ -4,7 +4,7 @@
EAPI=5
-PYTHON_COMPAT=( python{2_7,3_3} )
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
inherit eutils flag-o-matic fortran-2 multilib python-r1
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-10-28 19:26 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-10-28 19:26 UTC (permalink / raw
To: gentoo-commits
commit: 773a7b8c58d010078f1ac85a9b9921a373d2c7e5
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Wed Oct 28 19:21:31 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Wed Oct 28 19:24:57 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=773a7b8c
sci-physics/lammps: Ebuild cleanup
Package-Manager: portage-2.2.20.1
sci-physics/lammps/lammps-20151026.ebuild | 68 +++++++++----------------------
1 file changed, 20 insertions(+), 48 deletions(-)
diff --git a/sci-physics/lammps/lammps-20151026.ebuild b/sci-physics/lammps/lammps-20151026.ebuild
index 2c75712..55f834d 100644
--- a/sci-physics/lammps/lammps-20151026.ebuild
+++ b/sci-physics/lammps/lammps-20151026.ebuild
@@ -47,64 +47,36 @@ lmp_emake() {
# The lammps makefile uses CC to indicate the C++ compiler.
emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
CCFLAGS="${CXXFLAGS}" \
F90FLAGS="${FCFLAGS}" \
LINKFLAGS="${LDFLAGS}" \
LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
"$@"
}
lmp_activate_packages() {
# Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
}
lmp_build_packages() {
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-10-28 19:30 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-10-28 19:30 UTC (permalink / raw
To: gentoo-commits
commit: 9ec5a07446cdd2ab66a71b34e3d6815fd357bb47
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Wed Oct 28 19:30:02 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Wed Oct 28 19:30:02 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=9ec5a074
sci-physics/lammps: Remove old versions
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 3 -
sci-physics/lammps/lammps-20150818.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20150821.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20150829.ebuild | 267 ------------------------------
4 files changed, 804 deletions(-)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 65e5628..6db6fd5 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -2,13 +2,10 @@ DIST lammps-10Aug15.tar.gz 87890369 SHA256 450a765f94b70a6f38637854f1d7496dca98d
DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
-DIST lammps-18Aug15.tar.gz 87893731 SHA256 513237934cda7c1e026f4983096fd53cb510fadee12c55b13b4735086155245a SHA512 5816509f5b988dbe74c9f40a9faa42b3bcf260388dfe70703a1544517acd3f868d3bc398fb4c2fa7713d24409075d44ad80b8e91a25a28db783c2605aff30977 WHIRLPOOL 7022f3aabadffdfa2ef4c8219589e46fba2572d9ed4b52591f6516a61d4895b39d637d88535ba83881db5d48661e34ca6ff2f22a6819dbec015af979721a0f53
-DIST lammps-21Aug15.tar.gz 87096749 SHA256 46f68e7b61e50ab3e790c53cadd82fde7c7aa58aa73e8a3257f24facff2ed0a4 SHA512 b1dd90890c43a6cf55a57a61279dcc4c10fdedb4ad90f225a06c0e93eb139d30f2d56baa233c081b38adeeb0a8419a0315ccc4b0fa15c3ffbf7db626ca261e9d WHIRLPOOL a1d7d4ab30f9ecca3fd64216e729fef6fa1b3f7a6698b9eaf104bcbfa03a66862cd8c5882e94f73e841064d94bf030aaf569ebb457d89fbd345b391f9cee6822
DIST lammps-22Oct15.tar.gz 87938562 SHA256 8376b52e8eef4d1c3628c15ff358ecf74303e308566f41fd055701f6af3b6484 SHA512 cbe61420cccd11cd444423214802dfd2d1b2b1b28511a53dbf22e993fa3592404e8dda29fcb7bcd4e6e2d1e2251ddc6f020d48bafa66c8fceaa27d4af2e21640 WHIRLPOOL 11d09b18ff742d6ac4fcb400df93d7ac29144ee554f7241e58da80d039a99ef23b4b81709170ed12215693de97b6b48c9a6967d7d0539fd7f2f172a1e0a83661
DIST lammps-23Oct15.tar.gz 87933918 SHA256 3500cdeb22344c7f3a040834a232d6c5ddb9f601820794441fcc24dadedc49b6 SHA512 a26d214b3e7c47d63cf00a364753a829d1c8f0cf4f8b73e829a4463650303d6905b6c942df5890387413b44496c8615b286296b34df9181e54806bb2f361b39a WHIRLPOOL 9a2d6e8fb57f1af2969345d9b250ed1244d2e40c97d5e2994c0ef6225ca265b490809848faa7cdc29a3eaa7c51a6223320039863f6c382a1a51da6f474e52088
DIST lammps-24Sep15.tar.gz 87307191 SHA256 e03cdeb2b3b6107d98969febea26575c85590603ab4f79d26efc46bac6d6cc60 SHA512 356dd556f845cec456865062375120c0898cef1870617d80b31b0e8e964585140120b21f891cd9b40ecde7aaf43beb34d7b15396830e08273624a9b14da551e4 WHIRLPOOL 667b8aaf927d268c569a192c835b7dbdc80a0f25abb1f2c96007517ea218a69b2816dde4ebe28ca82974d01472c0e1126b67e89a19fb3ef49e4020f3d9c69fba
DIST lammps-26Oct15.tar.gz 89265403 SHA256 c69356b3056881cbbb7eb659eb9cd4fc9d86e7f010502fe47c91ed865cbabea7 SHA512 738cd9fb7b11cb1e7304814ac4463d534f0a5dda1c70cc483d3c19b038c15cd61a2c03c6972cccc69afbe42d88bf01ef33d0972bba9516a840026891fc3f144a WHIRLPOOL c7c7882e32b026cdba0d5bceb1ecfa4127e77edeb9d567760e19d6103109fdf9cefe79a17fd6e3291d04347984cfdb1a999136ead0be20f0173a73e53f106d95
-DIST lammps-29Aug15.tar.gz 87253305 SHA256 fff69b47c40936d4ccd90a8443ce5bb1bcf4cb449ae06a5822c1b11a2ab2dd67 SHA512 991c56608a3288ebdcd2fb0857c595d42047b5ed0780b6d4ddb98388627499727b6c04fe0eff3e7221238dba2a8601f0b4b4067b5aa5ec2f356b4ee13f6c129c WHIRLPOOL 88da74fa65aeb187330439417512d516fe8adf4a5df4be48fdafafa198e8c4d657ecce7f04f749d77cb2f8a7881ac47f4604cf6bc8eb3ca8b2cbc7988d866a87
DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
DIST lammps-5Oct15.tar.gz 88451532 SHA256 a76f92ae05b99f9257abf7d79d9365c5743fa5a16b941a5e40f74036c5879211 SHA512 e0a034778cd5e3b9a27c9fc6257f1f7a6a9161732cd83bac2c4b0f82c39d5a6a385bb4640322478bfbe9467afb28b998cd19108b3d4a21e369b80c39a486e065 WHIRLPOOL 291e7820d4736421aeda9a1295854bd7b52d8ca3f14900e9394373410ee5db02ad6ab53991cf4dc8e73328b24fa44659d10693aca7cb48301227299ad622ce31
DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af
diff --git a/sci-physics/lammps/lammps-20150818.ebuild b/sci-physics/lammps/lammps-20150818.ebuild
deleted file mode 100644
index 1a244c8..0000000
--- a/sci-physics/lammps/lammps-20150818.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150821.ebuild b/sci-physics/lammps/lammps-20150821.ebuild
deleted file mode 100644
index 1a244c8..0000000
--- a/sci-physics/lammps/lammps-20150821.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150829.ebuild b/sci-physics/lammps/lammps-20150829.ebuild
deleted file mode 100644
index 1a244c8..0000000
--- a/sci-physics/lammps/lammps-20150829.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-11-06 23:35 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-11-06 23:35 UTC (permalink / raw
To: gentoo-commits
commit: 951652964de025fa088c20f176352c8f7d4df4dd
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Fri Nov 6 23:34:57 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Fri Nov 6 23:35:26 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=95165296
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20151031.ebuild | 213 ++++++++++++++++++++++++++++++
2 files changed, 214 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 6db6fd5..bcc9921 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -6,6 +6,7 @@ DIST lammps-22Oct15.tar.gz 87938562 SHA256 8376b52e8eef4d1c3628c15ff358ecf74303e
DIST lammps-23Oct15.tar.gz 87933918 SHA256 3500cdeb22344c7f3a040834a232d6c5ddb9f601820794441fcc24dadedc49b6 SHA512 a26d214b3e7c47d63cf00a364753a829d1c8f0cf4f8b73e829a4463650303d6905b6c942df5890387413b44496c8615b286296b34df9181e54806bb2f361b39a WHIRLPOOL 9a2d6e8fb57f1af2969345d9b250ed1244d2e40c97d5e2994c0ef6225ca265b490809848faa7cdc29a3eaa7c51a6223320039863f6c382a1a51da6f474e52088
DIST lammps-24Sep15.tar.gz 87307191 SHA256 e03cdeb2b3b6107d98969febea26575c85590603ab4f79d26efc46bac6d6cc60 SHA512 356dd556f845cec456865062375120c0898cef1870617d80b31b0e8e964585140120b21f891cd9b40ecde7aaf43beb34d7b15396830e08273624a9b14da551e4 WHIRLPOOL 667b8aaf927d268c569a192c835b7dbdc80a0f25abb1f2c96007517ea218a69b2816dde4ebe28ca82974d01472c0e1126b67e89a19fb3ef49e4020f3d9c69fba
DIST lammps-26Oct15.tar.gz 89265403 SHA256 c69356b3056881cbbb7eb659eb9cd4fc9d86e7f010502fe47c91ed865cbabea7 SHA512 738cd9fb7b11cb1e7304814ac4463d534f0a5dda1c70cc483d3c19b038c15cd61a2c03c6972cccc69afbe42d88bf01ef33d0972bba9516a840026891fc3f144a WHIRLPOOL c7c7882e32b026cdba0d5bceb1ecfa4127e77edeb9d567760e19d6103109fdf9cefe79a17fd6e3291d04347984cfdb1a999136ead0be20f0173a73e53f106d95
+DIST lammps-31Oct15.tar.gz 90163112 SHA256 c9f50531ddd720cc4aa469f74a8c528b91934bed9da1d165bfeaa14501beaf61 SHA512 10bd5c2868ad472f44379093ffbf4ef3ac9e65afde00ceafb13913f9253c568173b2abdd5401bbe761730f20412bb81a7e29c267b99527168eb1cfa99af20d17 WHIRLPOOL 654017e23ee6b367f9d8124cca4aeec4f2d0c21cedb8c76e0a74cea075750c6d7f51e873914d926eea6dbbe121faa0d003068c810d4ae201e431404edaba7858
DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
DIST lammps-5Oct15.tar.gz 88451532 SHA256 a76f92ae05b99f9257abf7d79d9365c5743fa5a16b941a5e40f74036c5879211 SHA512 e0a034778cd5e3b9a27c9fc6257f1f7a6a9161732cd83bac2c4b0f82c39d5a6a385bb4640322478bfbe9467afb28b998cd19108b3d4a21e369b80c39a486e065 WHIRLPOOL 291e7820d4736421aeda9a1295854bd7b52d8ca3f14900e9394373410ee5db02ad6ab53991cf4dc8e73328b24fa44659d10693aca7cb48301227299ad622ce31
DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af
diff --git a/sci-physics/lammps/lammps-20151031.ebuild b/sci-physics/lammps/lammps-20151031.ebuild
new file mode 100644
index 0000000..55f834d
--- /dev/null
+++ b/sci-physics/lammps/lammps-20151031.ebuild
@@ -0,0 +1,213 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-11-09 12:55 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-11-09 12:55 UTC (permalink / raw
To: gentoo-commits
commit: 952eea7376fcf98edd8baa61cc99cba36c705bd3
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Mon Nov 9 12:54:53 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Mon Nov 9 12:55:30 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=952eea73
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20151106.ebuild | 213 ++++++++++++++++++++++++++++++
2 files changed, 214 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index bcc9921..804df4e 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -9,4 +9,5 @@ DIST lammps-26Oct15.tar.gz 89265403 SHA256 c69356b3056881cbbb7eb659eb9cd4fc9d86e
DIST lammps-31Oct15.tar.gz 90163112 SHA256 c9f50531ddd720cc4aa469f74a8c528b91934bed9da1d165bfeaa14501beaf61 SHA512 10bd5c2868ad472f44379093ffbf4ef3ac9e65afde00ceafb13913f9253c568173b2abdd5401bbe761730f20412bb81a7e29c267b99527168eb1cfa99af20d17 WHIRLPOOL 654017e23ee6b367f9d8124cca4aeec4f2d0c21cedb8c76e0a74cea075750c6d7f51e873914d926eea6dbbe121faa0d003068c810d4ae201e431404edaba7858
DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
DIST lammps-5Oct15.tar.gz 88451532 SHA256 a76f92ae05b99f9257abf7d79d9365c5743fa5a16b941a5e40f74036c5879211 SHA512 e0a034778cd5e3b9a27c9fc6257f1f7a6a9161732cd83bac2c4b0f82c39d5a6a385bb4640322478bfbe9467afb28b998cd19108b3d4a21e369b80c39a486e065 WHIRLPOOL 291e7820d4736421aeda9a1295854bd7b52d8ca3f14900e9394373410ee5db02ad6ab53991cf4dc8e73328b24fa44659d10693aca7cb48301227299ad622ce31
+DIST lammps-6Nov15.tar.gz 90177074 SHA256 b908d87106e89aa813c3d1a2e89f297ab42471ee463ef950f87f284d62aa24ac SHA512 91f8e33a00b3605dbb78f622a19886c11ca8ef3f4babe74e8d8f90bb176d5689e75d619155f58e6754a2756d20c05b74389e34f024167cba1841b8aade171daf WHIRLPOOL 4541537ea73292648764d6c8a7560f3127b8f911f4dcff0a97735c8e75868dc3aec7c2b32a2928ea446e8cfec87c81c9f86a635d29f3a65f42fd27661725911e
DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af
diff --git a/sci-physics/lammps/lammps-20151106.ebuild b/sci-physics/lammps/lammps-20151106.ebuild
new file mode 100644
index 0000000..55f834d
--- /dev/null
+++ b/sci-physics/lammps/lammps-20151106.ebuild
@@ -0,0 +1,213 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-12-02 13:26 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-12-02 13:26 UTC (permalink / raw
To: gentoo-commits
commit: 7aeedc7043c24cdc56d9c48be571ff21bfc7e1c5
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Wed Dec 2 13:26:18 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Wed Dec 2 13:26:18 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=7aeedc70
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.20.1
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20151120.ebuild | 213 ++++++++++++++++++++++++++++++
2 files changed, 214 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 804df4e..c6b1c2d 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -2,6 +2,7 @@ DIST lammps-10Aug15.tar.gz 87890369 SHA256 450a765f94b70a6f38637854f1d7496dca98d
DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
+DIST lammps-20Nov15.tar.gz 90227651 SHA256 7c392c848e73335226b2fef6bb8034b1152f91862d955a3bae00502bf9d8e8fe SHA512 4bff70e45fb30be10a33b4c6c60b73cceddf8d42588b0630b4802f1e61dea3c237c01c3667585ad210ef2cdb811491b1b8495718a90bb57853c58245e29d1fe4 WHIRLPOOL a01f54911a5edb666ef5af5302cf60d61d58d20f2112578e4d7bd16787b2bf59da09e9fe7ffa021fb6a97db40b23301ed77010f48a05e5471742c0e71413b7e1
DIST lammps-22Oct15.tar.gz 87938562 SHA256 8376b52e8eef4d1c3628c15ff358ecf74303e308566f41fd055701f6af3b6484 SHA512 cbe61420cccd11cd444423214802dfd2d1b2b1b28511a53dbf22e993fa3592404e8dda29fcb7bcd4e6e2d1e2251ddc6f020d48bafa66c8fceaa27d4af2e21640 WHIRLPOOL 11d09b18ff742d6ac4fcb400df93d7ac29144ee554f7241e58da80d039a99ef23b4b81709170ed12215693de97b6b48c9a6967d7d0539fd7f2f172a1e0a83661
DIST lammps-23Oct15.tar.gz 87933918 SHA256 3500cdeb22344c7f3a040834a232d6c5ddb9f601820794441fcc24dadedc49b6 SHA512 a26d214b3e7c47d63cf00a364753a829d1c8f0cf4f8b73e829a4463650303d6905b6c942df5890387413b44496c8615b286296b34df9181e54806bb2f361b39a WHIRLPOOL 9a2d6e8fb57f1af2969345d9b250ed1244d2e40c97d5e2994c0ef6225ca265b490809848faa7cdc29a3eaa7c51a6223320039863f6c382a1a51da6f474e52088
DIST lammps-24Sep15.tar.gz 87307191 SHA256 e03cdeb2b3b6107d98969febea26575c85590603ab4f79d26efc46bac6d6cc60 SHA512 356dd556f845cec456865062375120c0898cef1870617d80b31b0e8e964585140120b21f891cd9b40ecde7aaf43beb34d7b15396830e08273624a9b14da551e4 WHIRLPOOL 667b8aaf927d268c569a192c835b7dbdc80a0f25abb1f2c96007517ea218a69b2816dde4ebe28ca82974d01472c0e1126b67e89a19fb3ef49e4020f3d9c69fba
diff --git a/sci-physics/lammps/lammps-20151120.ebuild b/sci-physics/lammps/lammps-20151120.ebuild
new file mode 100644
index 0000000..55f834d
--- /dev/null
+++ b/sci-physics/lammps/lammps-20151120.ebuild
@@ -0,0 +1,213 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-12-16 13:43 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-12-16 13:43 UTC (permalink / raw
To: gentoo-commits
commit: e1eb41069d51ee1799b0ccd48474041fca80c146
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Wed Dec 16 13:41:14 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Wed Dec 16 13:42:39 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=e1eb4106
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.24
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20151207.ebuild | 217 ++++++++++++++++++++++++++++++
2 files changed, 218 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index c6b1c2d..2545b3b 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -11,4 +11,5 @@ DIST lammps-31Oct15.tar.gz 90163112 SHA256 c9f50531ddd720cc4aa469f74a8c528b91934
DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
DIST lammps-5Oct15.tar.gz 88451532 SHA256 a76f92ae05b99f9257abf7d79d9365c5743fa5a16b941a5e40f74036c5879211 SHA512 e0a034778cd5e3b9a27c9fc6257f1f7a6a9161732cd83bac2c4b0f82c39d5a6a385bb4640322478bfbe9467afb28b998cd19108b3d4a21e369b80c39a486e065 WHIRLPOOL 291e7820d4736421aeda9a1295854bd7b52d8ca3f14900e9394373410ee5db02ad6ab53991cf4dc8e73328b24fa44659d10693aca7cb48301227299ad622ce31
DIST lammps-6Nov15.tar.gz 90177074 SHA256 b908d87106e89aa813c3d1a2e89f297ab42471ee463ef950f87f284d62aa24ac SHA512 91f8e33a00b3605dbb78f622a19886c11ca8ef3f4babe74e8d8f90bb176d5689e75d619155f58e6754a2756d20c05b74389e34f024167cba1841b8aade171daf WHIRLPOOL 4541537ea73292648764d6c8a7560f3127b8f911f4dcff0a97735c8e75868dc3aec7c2b32a2928ea446e8cfec87c81c9f86a635d29f3a65f42fd27661725911e
+DIST lammps-7Dec15.tar.gz 82168656 SHA256 7fa1bb1089437c0f38f8c6920286e2f8424e6449956b4d570da2954f507af1e7 SHA512 13078e7614402efc310a178506134409b40fb2768c4d7ee1cfa6992b247ef25169288ec99d4314b1a98125037d7c1c954bd114abc6ac41c58f60506358d150e2 WHIRLPOOL f9ba52c0c93ea6950b2ee7e0f5e15ebef6ea50f647d23cb2f9a1caf523d3dfb8d52adbdf8f8840eebd7f79fc59ab294310b7bf7109b27c6b7e9d6e7d2f18b7ee
DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af
diff --git a/sci-physics/lammps/lammps-20151207.ebuild b/sci-physics/lammps/lammps-20151207.ebuild
new file mode 100644
index 0000000..e692e6f
--- /dev/null
+++ b/sci-physics/lammps/lammps-20151207.ebuild
@@ -0,0 +1,217 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-12-16 13:54 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-12-16 13:54 UTC (permalink / raw
To: gentoo-commits
commit: c9aece8e23913355c604b7c1ebbb9807e0cf6747
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Wed Dec 16 13:53:50 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Wed Dec 16 13:54:23 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=c9aece8e
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.24
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20151208.ebuild | 217 ++++++++++++++++++++++++++++++
2 files changed, 218 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 2545b3b..83fb838 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -12,4 +12,5 @@ DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741d
DIST lammps-5Oct15.tar.gz 88451532 SHA256 a76f92ae05b99f9257abf7d79d9365c5743fa5a16b941a5e40f74036c5879211 SHA512 e0a034778cd5e3b9a27c9fc6257f1f7a6a9161732cd83bac2c4b0f82c39d5a6a385bb4640322478bfbe9467afb28b998cd19108b3d4a21e369b80c39a486e065 WHIRLPOOL 291e7820d4736421aeda9a1295854bd7b52d8ca3f14900e9394373410ee5db02ad6ab53991cf4dc8e73328b24fa44659d10693aca7cb48301227299ad622ce31
DIST lammps-6Nov15.tar.gz 90177074 SHA256 b908d87106e89aa813c3d1a2e89f297ab42471ee463ef950f87f284d62aa24ac SHA512 91f8e33a00b3605dbb78f622a19886c11ca8ef3f4babe74e8d8f90bb176d5689e75d619155f58e6754a2756d20c05b74389e34f024167cba1841b8aade171daf WHIRLPOOL 4541537ea73292648764d6c8a7560f3127b8f911f4dcff0a97735c8e75868dc3aec7c2b32a2928ea446e8cfec87c81c9f86a635d29f3a65f42fd27661725911e
DIST lammps-7Dec15.tar.gz 82168656 SHA256 7fa1bb1089437c0f38f8c6920286e2f8424e6449956b4d570da2954f507af1e7 SHA512 13078e7614402efc310a178506134409b40fb2768c4d7ee1cfa6992b247ef25169288ec99d4314b1a98125037d7c1c954bd114abc6ac41c58f60506358d150e2 WHIRLPOOL f9ba52c0c93ea6950b2ee7e0f5e15ebef6ea50f647d23cb2f9a1caf523d3dfb8d52adbdf8f8840eebd7f79fc59ab294310b7bf7109b27c6b7e9d6e7d2f18b7ee
+DIST lammps-8Dec15.tar.gz 90700099 SHA256 1782a856dcba1696e6e921d891f259e525de750d7cf39ce9457a1992ee4db91f SHA512 0382683a363975bd27cc1722932cd5b8eda9933bc9c676af135d7e4d784acd93cf60b2b47a19dbb9e4a05e5cf2fbf6ccc2c2a914c39e92e87009e23ead2eb497 WHIRLPOOL dca88d8d55e96c20702856b2074d631ef8f6a0f6209672e612778209ad188c800a673e09605033851349b400241b1f7c8e5e05bad49519838abfe5fe44467c43
DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af
diff --git a/sci-physics/lammps/lammps-20151208.ebuild b/sci-physics/lammps/lammps-20151208.ebuild
new file mode 100644
index 0000000..e692e6f
--- /dev/null
+++ b/sci-physics/lammps/lammps-20151208.ebuild
@@ -0,0 +1,217 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-12-17 13:50 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-12-17 13:50 UTC (permalink / raw
To: gentoo-commits
commit: c63e20a879ea20ce47ed8507ab7e49cab273c525
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Thu Dec 17 13:49:13 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Thu Dec 17 13:49:40 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=c63e20a8
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.24
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20151209.ebuild | 217 ++++++++++++++++++++++++++++++
2 files changed, 218 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 83fb838..a8d944c 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -13,4 +13,5 @@ DIST lammps-5Oct15.tar.gz 88451532 SHA256 a76f92ae05b99f9257abf7d79d9365c5743fa5
DIST lammps-6Nov15.tar.gz 90177074 SHA256 b908d87106e89aa813c3d1a2e89f297ab42471ee463ef950f87f284d62aa24ac SHA512 91f8e33a00b3605dbb78f622a19886c11ca8ef3f4babe74e8d8f90bb176d5689e75d619155f58e6754a2756d20c05b74389e34f024167cba1841b8aade171daf WHIRLPOOL 4541537ea73292648764d6c8a7560f3127b8f911f4dcff0a97735c8e75868dc3aec7c2b32a2928ea446e8cfec87c81c9f86a635d29f3a65f42fd27661725911e
DIST lammps-7Dec15.tar.gz 82168656 SHA256 7fa1bb1089437c0f38f8c6920286e2f8424e6449956b4d570da2954f507af1e7 SHA512 13078e7614402efc310a178506134409b40fb2768c4d7ee1cfa6992b247ef25169288ec99d4314b1a98125037d7c1c954bd114abc6ac41c58f60506358d150e2 WHIRLPOOL f9ba52c0c93ea6950b2ee7e0f5e15ebef6ea50f647d23cb2f9a1caf523d3dfb8d52adbdf8f8840eebd7f79fc59ab294310b7bf7109b27c6b7e9d6e7d2f18b7ee
DIST lammps-8Dec15.tar.gz 90700099 SHA256 1782a856dcba1696e6e921d891f259e525de750d7cf39ce9457a1992ee4db91f SHA512 0382683a363975bd27cc1722932cd5b8eda9933bc9c676af135d7e4d784acd93cf60b2b47a19dbb9e4a05e5cf2fbf6ccc2c2a914c39e92e87009e23ead2eb497 WHIRLPOOL dca88d8d55e96c20702856b2074d631ef8f6a0f6209672e612778209ad188c800a673e09605033851349b400241b1f7c8e5e05bad49519838abfe5fe44467c43
+DIST lammps-9Dec15.tar.gz 82374079 SHA256 36f918174826a80f54e65779ec939e185e81c71f747cb1524e43c58b1869491a SHA512 a35ef5b3ee99162b96ce1a6d6cc3b0dc18bab7f693b824fc7ad52a7477234ed45c3081c399155725f1ebc3bd1bed312176f08d3fc807e7099d4b41b8f75fd11c WHIRLPOOL 045d817e6a2c74fa2f4a5eb337328d6d9183fcedca44a1e608c59bd83fd4086763ff4d6ebed3715ba23cbde04f1233ef3e4a8e3e964ff3af3744c70580b51d0b
DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af
diff --git a/sci-physics/lammps/lammps-20151209.ebuild b/sci-physics/lammps/lammps-20151209.ebuild
new file mode 100644
index 0000000..e692e6f
--- /dev/null
+++ b/sci-physics/lammps/lammps-20151209.ebuild
@@ -0,0 +1,217 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2015-12-17 15:13 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2015-12-17 15:13 UTC (permalink / raw
To: gentoo-commits
commit: 7ef51291018b4ac018b40fc36574900264285a53
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Thu Dec 17 15:12:28 2015 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Thu Dec 17 15:13:01 2015 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=7ef51291
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.24
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20151211.ebuild | 217 ++++++++++++++++++++++++++++++
2 files changed, 218 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index a8d944c..feecc9a 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,5 +1,6 @@
DIST lammps-10Aug15.tar.gz 87890369 SHA256 450a765f94b70a6f38637854f1d7496dca98d359414c527f8de99bed1fdd94d2 SHA512 fc395cf7e59de7e71bad64e2500224d33ff0f76bb79530fdcde5ec9879b91c332d1421a25e5d5bb9cc47a55745e760d01b2ac8ad29f9e71c8a90a0ace9212618 WHIRLPOOL 3f50513137283f4deb9b6a2c13a7ba63814b0ddd59d33e428fba9d3f94f61baa1b3b9d9d080982453a7828d2a98e619cded4d27716fd165db595832a157c9f6b
DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
+DIST lammps-11Dec15.tar.gz 82386057 SHA256 f95cce2efa5f9d5649de22c19c96281f3af7b0f65a1f051a268131fe526542d9 SHA512 dce3c29811ee25b8404774b69d7e9746535bed5c4ae9a1c21aaf6979e411bb4b777ca95a4f788d16f6093785e074dbc5275c2d99b1c1d6a28aa0706069855a77 WHIRLPOOL a0b7fcf202745d22511ced803c8bc55b0487a8cdb2c32a0c9a121569a7e5641b072ccbcc70ef7a1529da736d6166d6d2afd80769fc84fc4f07af25b023710a57
DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
DIST lammps-20Nov15.tar.gz 90227651 SHA256 7c392c848e73335226b2fef6bb8034b1152f91862d955a3bae00502bf9d8e8fe SHA512 4bff70e45fb30be10a33b4c6c60b73cceddf8d42588b0630b4802f1e61dea3c237c01c3667585ad210ef2cdb811491b1b8495718a90bb57853c58245e29d1fe4 WHIRLPOOL a01f54911a5edb666ef5af5302cf60d61d58d20f2112578e4d7bd16787b2bf59da09e9fe7ffa021fb6a97db40b23301ed77010f48a05e5471742c0e71413b7e1
diff --git a/sci-physics/lammps/lammps-20151211.ebuild b/sci-physics/lammps/lammps-20151211.ebuild
new file mode 100644
index 0000000..e692e6f
--- /dev/null
+++ b/sci-physics/lammps/lammps-20151211.ebuild
@@ -0,0 +1,217 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+DEPEND="
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ gzip? ( app-arch/gzip )
+ sci-libs/voro++
+ python? ( ${PYTHON_DEPS} )
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2016-01-19 17:07 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2016-01-19 17:07 UTC (permalink / raw
To: gentoo-commits
commit: 78fadec1805cc988e6978b78f99979caeeaad7dd
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Tue Jan 19 17:03:51 2016 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Tue Jan 19 17:06:19 2016 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=78fadec1
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.26
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20160115.ebuild | 218 ++++++++++++++++++++++++++++++
2 files changed, 219 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index feecc9a..df4d8e8 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -2,6 +2,7 @@ DIST lammps-10Aug15.tar.gz 87890369 SHA256 450a765f94b70a6f38637854f1d7496dca98d
DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
DIST lammps-11Dec15.tar.gz 82386057 SHA256 f95cce2efa5f9d5649de22c19c96281f3af7b0f65a1f051a268131fe526542d9 SHA512 dce3c29811ee25b8404774b69d7e9746535bed5c4ae9a1c21aaf6979e411bb4b777ca95a4f788d16f6093785e074dbc5275c2d99b1c1d6a28aa0706069855a77 WHIRLPOOL a0b7fcf202745d22511ced803c8bc55b0487a8cdb2c32a0c9a121569a7e5641b072ccbcc70ef7a1529da736d6166d6d2afd80769fc84fc4f07af25b023710a57
DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3
+DIST lammps-15Jan16.tar.gz 85956338 SHA256 e90816bf20622200f5037415e5c45a0f950f7407886121708b794b1e75b93c3a SHA512 7dc2043afba78ec8d61b5880b6123952b42e5076fe7e3c3855186215054bc28710b89fd5b015d495fcfe38d5970efd43f3e6e834e80f39b6305b551d39f5eeab WHIRLPOOL 13bd3f41047492035c24e11d47b36ec8565d226738be492159ba498827c79eab4a7ec7402e037820b635b0d8d4c56fbdedea482f2f93e370275d717c93bc281c
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
DIST lammps-20Nov15.tar.gz 90227651 SHA256 7c392c848e73335226b2fef6bb8034b1152f91862d955a3bae00502bf9d8e8fe SHA512 4bff70e45fb30be10a33b4c6c60b73cceddf8d42588b0630b4802f1e61dea3c237c01c3667585ad210ef2cdb811491b1b8495718a90bb57853c58245e29d1fe4 WHIRLPOOL a01f54911a5edb666ef5af5302cf60d61d58d20f2112578e4d7bd16787b2bf59da09e9fe7ffa021fb6a97db40b23301ed77010f48a05e5471742c0e71413b7e1
DIST lammps-22Oct15.tar.gz 87938562 SHA256 8376b52e8eef4d1c3628c15ff358ecf74303e308566f41fd055701f6af3b6484 SHA512 cbe61420cccd11cd444423214802dfd2d1b2b1b28511a53dbf22e993fa3592404e8dda29fcb7bcd4e6e2d1e2251ddc6f020d48bafa66c8fceaa27d4af2e21640 WHIRLPOOL 11d09b18ff742d6ac4fcb400df93d7ac29144ee554f7241e58da80d039a99ef23b4b81709170ed12215693de97b6b48c9a6967d7d0539fd7f2f172a1e0a83661
diff --git a/sci-physics/lammps/lammps-20160115.ebuild b/sci-physics/lammps/lammps-20160115.ebuild
new file mode 100644
index 0000000..743cfaf
--- /dev/null
+++ b/sci-physics/lammps/lammps-20160115.ebuild
@@ -0,0 +1,218 @@
+# Copyright 1999-2016 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+# blas/lapack is needed by the ATC package which is only built with MPI.
+DEPEND="
+ gzip? ( app-arch/gzip )
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2016-01-23 16:59 Agostino Sarubbo
0 siblings, 0 replies; 80+ messages in thread
From: Agostino Sarubbo @ 2016-01-23 16:59 UTC (permalink / raw
To: gentoo-commits
commit: e8a8c237bdd9c03756d31418e8deb707256fc14b
Author: Agostino Sarubbo <ago <AT> gentoo <DOT> org>
AuthorDate: Sat Jan 23 16:58:58 2016 +0000
Commit: Agostino Sarubbo <ago <AT> gentoo <DOT> org>
CommitDate: Sat Jan 23 16:59:20 2016 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=e8a8c237
sci-physics/lammps: amd64 stable wrt bug #572100
Package-Manager: portage-2.2.26
RepoMan-Options: --include-arches="amd64"
Signed-off-by: Agostino Sarubbo <ago <AT> gentoo.org>
sci-physics/lammps/lammps-20151207.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20151207.ebuild b/sci-physics/lammps/lammps-20151207.ebuild
index e692e6f..2158b5f 100644
--- a/sci-physics/lammps/lammps-20151207.ebuild
+++ b/sci-physics/lammps/lammps-20151207.ebuild
@@ -21,7 +21,7 @@ SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="~amd64 ~x86"
+KEYWORDS="amd64 ~x86"
IUSE="doc examples gzip lammps-memalign mpi python static-libs"
DEPEND="
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2016-01-25 12:50 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2016-01-25 12:50 UTC (permalink / raw
To: gentoo-commits
commit: 108397964c766d59c7d53729ecabaf7436111481
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Mon Jan 25 12:49:55 2016 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Mon Jan 25 12:50:19 2016 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=10839796
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.26
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20160122.ebuild | 218 ++++++++++++++++++++++++++++++
2 files changed, 219 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index df4d8e8..95f3b49 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -5,6 +5,7 @@ DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec06
DIST lammps-15Jan16.tar.gz 85956338 SHA256 e90816bf20622200f5037415e5c45a0f950f7407886121708b794b1e75b93c3a SHA512 7dc2043afba78ec8d61b5880b6123952b42e5076fe7e3c3855186215054bc28710b89fd5b015d495fcfe38d5970efd43f3e6e834e80f39b6305b551d39f5eeab WHIRLPOOL 13bd3f41047492035c24e11d47b36ec8565d226738be492159ba498827c79eab4a7ec7402e037820b635b0d8d4c56fbdedea482f2f93e370275d717c93bc281c
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
DIST lammps-20Nov15.tar.gz 90227651 SHA256 7c392c848e73335226b2fef6bb8034b1152f91862d955a3bae00502bf9d8e8fe SHA512 4bff70e45fb30be10a33b4c6c60b73cceddf8d42588b0630b4802f1e61dea3c237c01c3667585ad210ef2cdb811491b1b8495718a90bb57853c58245e29d1fe4 WHIRLPOOL a01f54911a5edb666ef5af5302cf60d61d58d20f2112578e4d7bd16787b2bf59da09e9fe7ffa021fb6a97db40b23301ed77010f48a05e5471742c0e71413b7e1
+DIST lammps-22Jan16.tar.gz 85952234 SHA256 46425bf0ae73f716195a29dc9823c2c5989504f85b49a316bc304caaf6e6a674 SHA512 3ceeeaf76621bbc11ea25d5fb321b602b34ffb3893898a704b02e5cd428a36b2017006fdc1f7b1c5f957c33f26ca103a2939538ae7937555e0b25b5852cd48f3 WHIRLPOOL 7f61ea1924eceb190b7cf56ed32db75f6a45c99dbf1522862124f59acd1f79b1a46310d5e31a988011461a55c319677eaec2bf713e9a5cda0411b5d2280aa784
DIST lammps-22Oct15.tar.gz 87938562 SHA256 8376b52e8eef4d1c3628c15ff358ecf74303e308566f41fd055701f6af3b6484 SHA512 cbe61420cccd11cd444423214802dfd2d1b2b1b28511a53dbf22e993fa3592404e8dda29fcb7bcd4e6e2d1e2251ddc6f020d48bafa66c8fceaa27d4af2e21640 WHIRLPOOL 11d09b18ff742d6ac4fcb400df93d7ac29144ee554f7241e58da80d039a99ef23b4b81709170ed12215693de97b6b48c9a6967d7d0539fd7f2f172a1e0a83661
DIST lammps-23Oct15.tar.gz 87933918 SHA256 3500cdeb22344c7f3a040834a232d6c5ddb9f601820794441fcc24dadedc49b6 SHA512 a26d214b3e7c47d63cf00a364753a829d1c8f0cf4f8b73e829a4463650303d6905b6c942df5890387413b44496c8615b286296b34df9181e54806bb2f361b39a WHIRLPOOL 9a2d6e8fb57f1af2969345d9b250ed1244d2e40c97d5e2994c0ef6225ca265b490809848faa7cdc29a3eaa7c51a6223320039863f6c382a1a51da6f474e52088
DIST lammps-24Sep15.tar.gz 87307191 SHA256 e03cdeb2b3b6107d98969febea26575c85590603ab4f79d26efc46bac6d6cc60 SHA512 356dd556f845cec456865062375120c0898cef1870617d80b31b0e8e964585140120b21f891cd9b40ecde7aaf43beb34d7b15396830e08273624a9b14da551e4 WHIRLPOOL 667b8aaf927d268c569a192c835b7dbdc80a0f25abb1f2c96007517ea218a69b2816dde4ebe28ca82974d01472c0e1126b67e89a19fb3ef49e4020f3d9c69fba
diff --git a/sci-physics/lammps/lammps-20160122.ebuild b/sci-physics/lammps/lammps-20160122.ebuild
new file mode 100644
index 0000000..743cfaf
--- /dev/null
+++ b/sci-physics/lammps/lammps-20160122.ebuild
@@ -0,0 +1,218 @@
+# Copyright 1999-2016 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+# blas/lapack is needed by the ATC package which is only built with MPI.
+DEPEND="
+ gzip? ( app-arch/gzip )
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r1.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2016-04-14 8:06 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2016-04-14 8:06 UTC (permalink / raw
To: gentoo-commits
commit: 94aac5b2c74afddd1cb4a2028c9aec3511a30fe9
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Thu Apr 14 08:05:53 2016 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Thu Apr 14 08:05:53 2016 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=94aac5b2
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.26
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20160310.ebuild | 218 ++++++++++++++++++++++++++++++
2 files changed, 219 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index b11ce0c..1dc83a1 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,5 +1,6 @@
DIST lammps-10Aug15.tar.gz 87890369 SHA256 450a765f94b70a6f38637854f1d7496dca98d359414c527f8de99bed1fdd94d2 SHA512 fc395cf7e59de7e71bad64e2500224d33ff0f76bb79530fdcde5ec9879b91c332d1421a25e5d5bb9cc47a55745e760d01b2ac8ad29f9e71c8a90a0ace9212618 WHIRLPOOL 3f50513137283f4deb9b6a2c13a7ba63814b0ddd59d33e428fba9d3f94f61baa1b3b9d9d080982453a7828d2a98e619cded4d27716fd165db595832a157c9f6b
DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
+DIST lammps-10Mar16.tar.gz 88637744 SHA256 b40d79d4a8490a549dc46f259ce65095d75e78059b002083eb899825e802c1ac SHA512 b850c9f9826cd7f4db2d922c9ee1bc8302ea5cf92200f56e5aa834850f690ee8e17dca6e431651ccfded34bd79e2b8e50cfb2e7de3bd93359279f06bb8704424 WHIRLPOOL 283e74dd90454a79119ac9d69bc61ba44d0a23fd18455286faea5867f018e69d9ce593d06c6940e7e7f9f89cdaee7c83ff592a7a8816fdcab703c25a9c65f28b
DIST lammps-11Dec15.tar.gz 82386057 SHA256 f95cce2efa5f9d5649de22c19c96281f3af7b0f65a1f051a268131fe526542d9 SHA512 dce3c29811ee25b8404774b69d7e9746535bed5c4ae9a1c21aaf6979e411bb4b777ca95a4f788d16f6093785e074dbc5275c2d99b1c1d6a28aa0706069855a77 WHIRLPOOL a0b7fcf202745d22511ced803c8bc55b0487a8cdb2c32a0c9a121569a7e5641b072ccbcc70ef7a1529da736d6166d6d2afd80769fc84fc4f07af25b023710a57
DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3
DIST lammps-15Jan16.tar.gz 85956338 SHA256 e90816bf20622200f5037415e5c45a0f950f7407886121708b794b1e75b93c3a SHA512 7dc2043afba78ec8d61b5880b6123952b42e5076fe7e3c3855186215054bc28710b89fd5b015d495fcfe38d5970efd43f3e6e834e80f39b6305b551d39f5eeab WHIRLPOOL 13bd3f41047492035c24e11d47b36ec8565d226738be492159ba498827c79eab4a7ec7402e037820b635b0d8d4c56fbdedea482f2f93e370275d717c93bc281c
diff --git a/sci-physics/lammps/lammps-20160310.ebuild b/sci-physics/lammps/lammps-20160310.ebuild
new file mode 100644
index 0000000..08762c3
--- /dev/null
+++ b/sci-physics/lammps/lammps-20160310.ebuild
@@ -0,0 +1,218 @@
+# Copyright 1999-2016 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+# blas/lapack is needed by the ATC package which is only built with MPI.
+DEPEND="
+ gzip? ( app-arch/gzip )
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r2.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2016-04-15 7:38 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2016-04-15 7:38 UTC (permalink / raw
To: gentoo-commits
commit: 6133f24b7aa014b37f3df585a93e7a95d8f60a33
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Fri Apr 15 07:37:27 2016 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Fri Apr 15 07:38:09 2016 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=6133f24b
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.26
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20160314.ebuild | 218 ++++++++++++++++++++++++++++++
2 files changed, 219 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 1dc83a1..116b59f 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -3,6 +3,7 @@ DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e0
DIST lammps-10Mar16.tar.gz 88637744 SHA256 b40d79d4a8490a549dc46f259ce65095d75e78059b002083eb899825e802c1ac SHA512 b850c9f9826cd7f4db2d922c9ee1bc8302ea5cf92200f56e5aa834850f690ee8e17dca6e431651ccfded34bd79e2b8e50cfb2e7de3bd93359279f06bb8704424 WHIRLPOOL 283e74dd90454a79119ac9d69bc61ba44d0a23fd18455286faea5867f018e69d9ce593d06c6940e7e7f9f89cdaee7c83ff592a7a8816fdcab703c25a9c65f28b
DIST lammps-11Dec15.tar.gz 82386057 SHA256 f95cce2efa5f9d5649de22c19c96281f3af7b0f65a1f051a268131fe526542d9 SHA512 dce3c29811ee25b8404774b69d7e9746535bed5c4ae9a1c21aaf6979e411bb4b777ca95a4f788d16f6093785e074dbc5275c2d99b1c1d6a28aa0706069855a77 WHIRLPOOL a0b7fcf202745d22511ced803c8bc55b0487a8cdb2c32a0c9a121569a7e5641b072ccbcc70ef7a1529da736d6166d6d2afd80769fc84fc4f07af25b023710a57
DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3
+DIST lammps-14Mar16.tar.gz 88642225 SHA256 79b7f3e75d553a86c7bf3ffbb8305fd0fe92f6a57d634b983b6a31816a72dabb SHA512 5ba774165ea4957fc3f33c91b96ff7b5e2ab498b6979d7887d5e7dfd464e3c830edffcc341e93fc8dcdb89f3eadd683c0893d4a8d2664ad469aa79ddc39c21b7 WHIRLPOOL ecafe88e06839ce506dba86a30a8548fd6b5771155e4d4c9b42932573ad932854fdecff80299c62ab529d2cfd97147ed3bcdf7ffe034e266914b078ac8708510
DIST lammps-15Jan16.tar.gz 85956338 SHA256 e90816bf20622200f5037415e5c45a0f950f7407886121708b794b1e75b93c3a SHA512 7dc2043afba78ec8d61b5880b6123952b42e5076fe7e3c3855186215054bc28710b89fd5b015d495fcfe38d5970efd43f3e6e834e80f39b6305b551d39f5eeab WHIRLPOOL 13bd3f41047492035c24e11d47b36ec8565d226738be492159ba498827c79eab4a7ec7402e037820b635b0d8d4c56fbdedea482f2f93e370275d717c93bc281c
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
DIST lammps-1Mar16.tar.gz 87945422 SHA256 af2bd7ab2a28aa14b8afa3d8703cbaf27d924400e237bf44e9e2da091c0b91eb SHA512 25b59f840187053a9f47bc41f5d0b29a69ac507e05528fb3e84c2bb8facd90fff95e99cbd8707c8d087371355a2e1c5af1eb3e4115b788444af5d129e754fe9d WHIRLPOOL b45f4ca459a88770c6d194f609f55694bdb50b7a54cf57a34995e4d3f6f0b432f99fdd9c7187c8e614a98b31387bfcc259baa9218f2c3bb5e146991c3a113207
diff --git a/sci-physics/lammps/lammps-20160314.ebuild b/sci-physics/lammps/lammps-20160314.ebuild
new file mode 100644
index 0000000..08762c3
--- /dev/null
+++ b/sci-physics/lammps/lammps-20160314.ebuild
@@ -0,0 +1,218 @@
+# Copyright 1999-2016 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+# blas/lapack is needed by the ATC package which is only built with MPI.
+DEPEND="
+ gzip? ( app-arch/gzip )
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r2.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2016-04-15 9:59 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2016-04-15 9:59 UTC (permalink / raw
To: gentoo-commits
commit: 9cf0b6608033ac80c3b5c4de023e7286b85a3a6a
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Fri Apr 15 09:58:41 2016 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Fri Apr 15 09:59:02 2016 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=9cf0b660
sci-physics/lammps: Cleanup, removing old versions
Package-Manager: portage-2.2.26
sci-physics/lammps/Manifest | 9 -
sci-physics/lammps/lammps-20150904.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20150909.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20150911.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20150924.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20151005.ebuild | 267 ------------------------------
sci-physics/lammps/lammps-20151022.ebuild | 241 ---------------------------
sci-physics/lammps/lammps-20151023.ebuild | 241 ---------------------------
sci-physics/lammps/lammps-20151026.ebuild | 213 ------------------------
sci-physics/lammps/lammps-20151031.ebuild | 213 ------------------------
10 files changed, 2252 deletions(-)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 116b59f..d8c9abc 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -2,22 +2,13 @@ DIST lammps-10Aug15.tar.gz 87890369 SHA256 450a765f94b70a6f38637854f1d7496dca98d
DIST lammps-10Feb15.tar.gz 62912048 SHA256 59373e9b5592f7b697a144bbce1fb742726e03536b7bb355dac7a9e013ddf9b8 SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2 WHIRLPOOL 09f29cadf8b072d388abe45ec219341d2a14a6c9cc9e4010a0f7945e930e9984738f7837748d117ab95ca76ce0c8d9160fe88dcec17e8d21b81f385dec8f7005
DIST lammps-10Mar16.tar.gz 88637744 SHA256 b40d79d4a8490a549dc46f259ce65095d75e78059b002083eb899825e802c1ac SHA512 b850c9f9826cd7f4db2d922c9ee1bc8302ea5cf92200f56e5aa834850f690ee8e17dca6e431651ccfded34bd79e2b8e50cfb2e7de3bd93359279f06bb8704424 WHIRLPOOL 283e74dd90454a79119ac9d69bc61ba44d0a23fd18455286faea5867f018e69d9ce593d06c6940e7e7f9f89cdaee7c83ff592a7a8816fdcab703c25a9c65f28b
DIST lammps-11Dec15.tar.gz 82386057 SHA256 f95cce2efa5f9d5649de22c19c96281f3af7b0f65a1f051a268131fe526542d9 SHA512 dce3c29811ee25b8404774b69d7e9746535bed5c4ae9a1c21aaf6979e411bb4b777ca95a4f788d16f6093785e074dbc5275c2d99b1c1d6a28aa0706069855a77 WHIRLPOOL a0b7fcf202745d22511ced803c8bc55b0487a8cdb2c32a0c9a121569a7e5641b072ccbcc70ef7a1529da736d6166d6d2afd80769fc84fc4f07af25b023710a57
-DIST lammps-11Sep15.tar.gz 87274144 SHA256 79a40bc395a9052345cf1c7caa8da69f6ec0603e0be09503b060c51672a9734f SHA512 a478470d6e90c870dad606649009c085451d3890632dfc05a84890ff9d69e8465eff52d4853b4dc4a82ebcb15074c8f2fd07bbde132404a01c1c5df0867ee3f2 WHIRLPOOL 21225df1baadd02dbdc9f0b7aea6a2323ac1a1ac177453b67d5387b87a711e505395d17efada9ca5d079d919842da69c6d41d9a3a6ec6375d8526c3ed32f8ad3
DIST lammps-14Mar16.tar.gz 88642225 SHA256 79b7f3e75d553a86c7bf3ffbb8305fd0fe92f6a57d634b983b6a31816a72dabb SHA512 5ba774165ea4957fc3f33c91b96ff7b5e2ab498b6979d7887d5e7dfd464e3c830edffcc341e93fc8dcdb89f3eadd683c0893d4a8d2664ad469aa79ddc39c21b7 WHIRLPOOL ecafe88e06839ce506dba86a30a8548fd6b5771155e4d4c9b42932573ad932854fdecff80299c62ab529d2cfd97147ed3bcdf7ffe034e266914b078ac8708510
DIST lammps-15Jan16.tar.gz 85956338 SHA256 e90816bf20622200f5037415e5c45a0f950f7407886121708b794b1e75b93c3a SHA512 7dc2043afba78ec8d61b5880b6123952b42e5076fe7e3c3855186215054bc28710b89fd5b015d495fcfe38d5970efd43f3e6e834e80f39b6305b551d39f5eeab WHIRLPOOL 13bd3f41047492035c24e11d47b36ec8565d226738be492159ba498827c79eab4a7ec7402e037820b635b0d8d4c56fbdedea482f2f93e370275d717c93bc281c
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
DIST lammps-1Mar16.tar.gz 87945422 SHA256 af2bd7ab2a28aa14b8afa3d8703cbaf27d924400e237bf44e9e2da091c0b91eb SHA512 25b59f840187053a9f47bc41f5d0b29a69ac507e05528fb3e84c2bb8facd90fff95e99cbd8707c8d087371355a2e1c5af1eb3e4115b788444af5d129e754fe9d WHIRLPOOL b45f4ca459a88770c6d194f609f55694bdb50b7a54cf57a34995e4d3f6f0b432f99fdd9c7187c8e614a98b31387bfcc259baa9218f2c3bb5e146991c3a113207
DIST lammps-20Nov15.tar.gz 90227651 SHA256 7c392c848e73335226b2fef6bb8034b1152f91862d955a3bae00502bf9d8e8fe SHA512 4bff70e45fb30be10a33b4c6c60b73cceddf8d42588b0630b4802f1e61dea3c237c01c3667585ad210ef2cdb811491b1b8495718a90bb57853c58245e29d1fe4 WHIRLPOOL a01f54911a5edb666ef5af5302cf60d61d58d20f2112578e4d7bd16787b2bf59da09e9fe7ffa021fb6a97db40b23301ed77010f48a05e5471742c0e71413b7e1
DIST lammps-22Jan16.tar.gz 85952234 SHA256 46425bf0ae73f716195a29dc9823c2c5989504f85b49a316bc304caaf6e6a674 SHA512 3ceeeaf76621bbc11ea25d5fb321b602b34ffb3893898a704b02e5cd428a36b2017006fdc1f7b1c5f957c33f26ca103a2939538ae7937555e0b25b5852cd48f3 WHIRLPOOL 7f61ea1924eceb190b7cf56ed32db75f6a45c99dbf1522862124f59acd1f79b1a46310d5e31a988011461a55c319677eaec2bf713e9a5cda0411b5d2280aa784
-DIST lammps-22Oct15.tar.gz 87938562 SHA256 8376b52e8eef4d1c3628c15ff358ecf74303e308566f41fd055701f6af3b6484 SHA512 cbe61420cccd11cd444423214802dfd2d1b2b1b28511a53dbf22e993fa3592404e8dda29fcb7bcd4e6e2d1e2251ddc6f020d48bafa66c8fceaa27d4af2e21640 WHIRLPOOL 11d09b18ff742d6ac4fcb400df93d7ac29144ee554f7241e58da80d039a99ef23b4b81709170ed12215693de97b6b48c9a6967d7d0539fd7f2f172a1e0a83661
-DIST lammps-23Oct15.tar.gz 87933918 SHA256 3500cdeb22344c7f3a040834a232d6c5ddb9f601820794441fcc24dadedc49b6 SHA512 a26d214b3e7c47d63cf00a364753a829d1c8f0cf4f8b73e829a4463650303d6905b6c942df5890387413b44496c8615b286296b34df9181e54806bb2f361b39a WHIRLPOOL 9a2d6e8fb57f1af2969345d9b250ed1244d2e40c97d5e2994c0ef6225ca265b490809848faa7cdc29a3eaa7c51a6223320039863f6c382a1a51da6f474e52088
-DIST lammps-24Sep15.tar.gz 87307191 SHA256 e03cdeb2b3b6107d98969febea26575c85590603ab4f79d26efc46bac6d6cc60 SHA512 356dd556f845cec456865062375120c0898cef1870617d80b31b0e8e964585140120b21f891cd9b40ecde7aaf43beb34d7b15396830e08273624a9b14da551e4 WHIRLPOOL 667b8aaf927d268c569a192c835b7dbdc80a0f25abb1f2c96007517ea218a69b2816dde4ebe28ca82974d01472c0e1126b67e89a19fb3ef49e4020f3d9c69fba
-DIST lammps-26Oct15.tar.gz 89265403 SHA256 c69356b3056881cbbb7eb659eb9cd4fc9d86e7f010502fe47c91ed865cbabea7 SHA512 738cd9fb7b11cb1e7304814ac4463d534f0a5dda1c70cc483d3c19b038c15cd61a2c03c6972cccc69afbe42d88bf01ef33d0972bba9516a840026891fc3f144a WHIRLPOOL c7c7882e32b026cdba0d5bceb1ecfa4127e77edeb9d567760e19d6103109fdf9cefe79a17fd6e3291d04347984cfdb1a999136ead0be20f0173a73e53f106d95
-DIST lammps-31Oct15.tar.gz 90163112 SHA256 c9f50531ddd720cc4aa469f74a8c528b91934bed9da1d165bfeaa14501beaf61 SHA512 10bd5c2868ad472f44379093ffbf4ef3ac9e65afde00ceafb13913f9253c568173b2abdd5401bbe761730f20412bb81a7e29c267b99527168eb1cfa99af20d17 WHIRLPOOL 654017e23ee6b367f9d8124cca4aeec4f2d0c21cedb8c76e0a74cea075750c6d7f51e873914d926eea6dbbe121faa0d003068c810d4ae201e431404edaba7858
-DIST lammps-4Sep15.tar.gz 87259558 SHA256 8652c801e4ce8b6b7d42a6c71f76b68a6e741dc8efb8d7d3dad36b624fe8f150 SHA512 ee730c8bd96e14931192a68c12e4ebde301cc3525b20816d051059f155b70c6edcea7dc2ed911e0b89685d751cd5a74b4bb5eedd6c16a042a2191bf8a9665fc9 WHIRLPOOL 271ac0d74e03d3e3e118a8b2385d98ce3f566ead67f1c329a219c265f886dc267b11be17c2caa52749ebac212bbc7456fba2d0d6ec69cd25815316e601b3360a
-DIST lammps-5Oct15.tar.gz 88451532 SHA256 a76f92ae05b99f9257abf7d79d9365c5743fa5a16b941a5e40f74036c5879211 SHA512 e0a034778cd5e3b9a27c9fc6257f1f7a6a9161732cd83bac2c4b0f82c39d5a6a385bb4640322478bfbe9467afb28b998cd19108b3d4a21e369b80c39a486e065 WHIRLPOOL 291e7820d4736421aeda9a1295854bd7b52d8ca3f14900e9394373410ee5db02ad6ab53991cf4dc8e73328b24fa44659d10693aca7cb48301227299ad622ce31
DIST lammps-6Nov15.tar.gz 90177074 SHA256 b908d87106e89aa813c3d1a2e89f297ab42471ee463ef950f87f284d62aa24ac SHA512 91f8e33a00b3605dbb78f622a19886c11ca8ef3f4babe74e8d8f90bb176d5689e75d619155f58e6754a2756d20c05b74389e34f024167cba1841b8aade171daf WHIRLPOOL 4541537ea73292648764d6c8a7560f3127b8f911f4dcff0a97735c8e75868dc3aec7c2b32a2928ea446e8cfec87c81c9f86a635d29f3a65f42fd27661725911e
DIST lammps-7Dec15.tar.gz 82168656 SHA256 7fa1bb1089437c0f38f8c6920286e2f8424e6449956b4d570da2954f507af1e7 SHA512 13078e7614402efc310a178506134409b40fb2768c4d7ee1cfa6992b247ef25169288ec99d4314b1a98125037d7c1c954bd114abc6ac41c58f60506358d150e2 WHIRLPOOL f9ba52c0c93ea6950b2ee7e0f5e15ebef6ea50f647d23cb2f9a1caf523d3dfb8d52adbdf8f8840eebd7f79fc59ab294310b7bf7109b27c6b7e9d6e7d2f18b7ee
DIST lammps-8Dec15.tar.gz 90700099 SHA256 1782a856dcba1696e6e921d891f259e525de750d7cf39ce9457a1992ee4db91f SHA512 0382683a363975bd27cc1722932cd5b8eda9933bc9c676af135d7e4d784acd93cf60b2b47a19dbb9e4a05e5cf2fbf6ccc2c2a914c39e92e87009e23ead2eb497 WHIRLPOOL dca88d8d55e96c20702856b2074d631ef8f6a0f6209672e612778209ad188c800a673e09605033851349b400241b1f7c8e5e05bad49519838abfe5fe44467c43
DIST lammps-9Dec15.tar.gz 82374079 SHA256 36f918174826a80f54e65779ec939e185e81c71f747cb1524e43c58b1869491a SHA512 a35ef5b3ee99162b96ce1a6d6cc3b0dc18bab7f693b824fc7ad52a7477234ed45c3081c399155725f1ebc3bd1bed312176f08d3fc807e7099d4b41b8f75fd11c WHIRLPOOL 045d817e6a2c74fa2f4a5eb337328d6d9183fcedca44a1e608c59bd83fd4086763ff4d6ebed3715ba23cbde04f1233ef3e4a8e3e964ff3af3744c70580b51d0b
-DIST lammps-9Sep15.tar.gz 87275742 SHA256 c783be8bf2c2fbef75522b09b4420006d94104f2a60b82f55f7bc255c6163079 SHA512 60fa8c818c72c3c236095c7aa23c2ec30cc3370b6dc14d0c1d9e347772e70c96dab43019092eb93f2327377f1b4cc642416be65d156b1faf934bfa805d228bcf WHIRLPOOL 4a9dbb0f1b493177614646dcef124c723a3b6171d0894fee8b34e9fff7d0962ada0a2a27564338fef6551aaff322f4b50784b98c250555173cba5478cc60e9af
diff --git a/sci-physics/lammps/lammps-20150904.ebuild b/sci-physics/lammps/lammps-20150904.ebuild
deleted file mode 100644
index 5400e87..0000000
--- a/sci-physics/lammps/lammps-20150904.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150909.ebuild b/sci-physics/lammps/lammps-20150909.ebuild
deleted file mode 100644
index 5400e87..0000000
--- a/sci-physics/lammps/lammps-20150909.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150911.ebuild b/sci-physics/lammps/lammps-20150911.ebuild
deleted file mode 100644
index 5400e87..0000000
--- a/sci-physics/lammps/lammps-20150911.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150924.ebuild b/sci-physics/lammps/lammps-20150924.ebuild
deleted file mode 100644
index 5400e87..0000000
--- a/sci-physics/lammps/lammps-20150924.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20151005.ebuild b/sci-physics/lammps/lammps-20151005.ebuild
deleted file mode 100644
index 5400e87..0000000
--- a/sci-physics/lammps/lammps-20151005.ebuild
+++ /dev/null
@@ -1,267 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20151022.ebuild b/sci-physics/lammps/lammps-20151022.ebuild
deleted file mode 100644
index 39fd779..0000000
--- a/sci-physics/lammps/lammps-20151022.ebuild
+++ /dev/null
@@ -1,241 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20151023.ebuild b/sci-physics/lammps/lammps-20151023.ebuild
deleted file mode 100644
index 39fd779..0000000
--- a/sci-physics/lammps/lammps-20151023.ebuild
+++ /dev/null
@@ -1,241 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20151026.ebuild b/sci-physics/lammps/lammps-20151026.ebuild
deleted file mode 100644
index 55f834d..0000000
--- a/sci-physics/lammps/lammps-20151026.ebuild
+++ /dev/null
@@ -1,213 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3,3_4} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20151031.ebuild b/sci-physics/lammps/lammps-20151031.ebuild
deleted file mode 100644
index 55f834d..0000000
--- a/sci-physics/lammps/lammps-20151031.ebuild
+++ /dev/null
@@ -1,213 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Id$
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_3,3_4} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2016-04-15 11:13 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2016-04-15 11:13 UTC (permalink / raw
To: gentoo-commits
commit: 257c43ef92202a3c2e282c9a1382caf7b143459f
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Fri Apr 15 11:11:57 2016 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Fri Apr 15 11:11:57 2016 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=257c43ef
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.26
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20160321.ebuild | 218 ++++++++++++++++++++++++++++++
2 files changed, 219 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index d8c9abc..3c25d6e 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -7,6 +7,7 @@ DIST lammps-15Jan16.tar.gz 85956338 SHA256 e90816bf20622200f5037415e5c45a0f950f7
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
DIST lammps-1Mar16.tar.gz 87945422 SHA256 af2bd7ab2a28aa14b8afa3d8703cbaf27d924400e237bf44e9e2da091c0b91eb SHA512 25b59f840187053a9f47bc41f5d0b29a69ac507e05528fb3e84c2bb8facd90fff95e99cbd8707c8d087371355a2e1c5af1eb3e4115b788444af5d129e754fe9d WHIRLPOOL b45f4ca459a88770c6d194f609f55694bdb50b7a54cf57a34995e4d3f6f0b432f99fdd9c7187c8e614a98b31387bfcc259baa9218f2c3bb5e146991c3a113207
DIST lammps-20Nov15.tar.gz 90227651 SHA256 7c392c848e73335226b2fef6bb8034b1152f91862d955a3bae00502bf9d8e8fe SHA512 4bff70e45fb30be10a33b4c6c60b73cceddf8d42588b0630b4802f1e61dea3c237c01c3667585ad210ef2cdb811491b1b8495718a90bb57853c58245e29d1fe4 WHIRLPOOL a01f54911a5edb666ef5af5302cf60d61d58d20f2112578e4d7bd16787b2bf59da09e9fe7ffa021fb6a97db40b23301ed77010f48a05e5471742c0e71413b7e1
+DIST lammps-21Mar16.tar.gz 88654277 SHA256 c2f627db22f332995d90521f0e8d8e9865b85b49cde0ed4bcf727bf4b9b12767 SHA512 27e4a3a0c2c17fb9c85716b499ca2b3de8b0a699891afd32c8409117a0fbe27f1bd84ef16288cc5abda87ee8a7b1059960d8caed5aa339f54290aabeff0fdd4d WHIRLPOOL 370f79af4a8e55851aa0c071d02baddaade991a3208fe504f8b92796bbdb9b17b85af898a71177bbc67d885ffdef9280621c9b7f4bc22cdb14808332cb2eccb8
DIST lammps-22Jan16.tar.gz 85952234 SHA256 46425bf0ae73f716195a29dc9823c2c5989504f85b49a316bc304caaf6e6a674 SHA512 3ceeeaf76621bbc11ea25d5fb321b602b34ffb3893898a704b02e5cd428a36b2017006fdc1f7b1c5f957c33f26ca103a2939538ae7937555e0b25b5852cd48f3 WHIRLPOOL 7f61ea1924eceb190b7cf56ed32db75f6a45c99dbf1522862124f59acd1f79b1a46310d5e31a988011461a55c319677eaec2bf713e9a5cda0411b5d2280aa784
DIST lammps-6Nov15.tar.gz 90177074 SHA256 b908d87106e89aa813c3d1a2e89f297ab42471ee463ef950f87f284d62aa24ac SHA512 91f8e33a00b3605dbb78f622a19886c11ca8ef3f4babe74e8d8f90bb176d5689e75d619155f58e6754a2756d20c05b74389e34f024167cba1841b8aade171daf WHIRLPOOL 4541537ea73292648764d6c8a7560f3127b8f911f4dcff0a97735c8e75868dc3aec7c2b32a2928ea446e8cfec87c81c9f86a635d29f3a65f42fd27661725911e
DIST lammps-7Dec15.tar.gz 82168656 SHA256 7fa1bb1089437c0f38f8c6920286e2f8424e6449956b4d570da2954f507af1e7 SHA512 13078e7614402efc310a178506134409b40fb2768c4d7ee1cfa6992b247ef25169288ec99d4314b1a98125037d7c1c954bd114abc6ac41c58f60506358d150e2 WHIRLPOOL f9ba52c0c93ea6950b2ee7e0f5e15ebef6ea50f647d23cb2f9a1caf523d3dfb8d52adbdf8f8840eebd7f79fc59ab294310b7bf7109b27c6b7e9d6e7d2f18b7ee
diff --git a/sci-physics/lammps/lammps-20160321.ebuild b/sci-physics/lammps/lammps-20160321.ebuild
new file mode 100644
index 0000000..08762c3
--- /dev/null
+++ b/sci-physics/lammps/lammps-20160321.ebuild
@@ -0,0 +1,218 @@
+# Copyright 1999-2016 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+# blas/lapack is needed by the ATC package which is only built with MPI.
+DEPEND="
+ gzip? ( app-arch/gzip )
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r2.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2016-04-18 11:31 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2016-04-18 11:31 UTC (permalink / raw
To: gentoo-commits
commit: 266ed2bd2291175bc0425896c55dd11f5c72259a
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Mon Apr 18 11:30:38 2016 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Mon Apr 18 11:31:30 2016 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=266ed2bd
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.26
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20160407.ebuild | 218 ++++++++++++++++++++++++++++++
2 files changed, 219 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 3c25d6e..a34ea71 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -10,6 +10,7 @@ DIST lammps-20Nov15.tar.gz 90227651 SHA256 7c392c848e73335226b2fef6bb8034b1152f9
DIST lammps-21Mar16.tar.gz 88654277 SHA256 c2f627db22f332995d90521f0e8d8e9865b85b49cde0ed4bcf727bf4b9b12767 SHA512 27e4a3a0c2c17fb9c85716b499ca2b3de8b0a699891afd32c8409117a0fbe27f1bd84ef16288cc5abda87ee8a7b1059960d8caed5aa339f54290aabeff0fdd4d WHIRLPOOL 370f79af4a8e55851aa0c071d02baddaade991a3208fe504f8b92796bbdb9b17b85af898a71177bbc67d885ffdef9280621c9b7f4bc22cdb14808332cb2eccb8
DIST lammps-22Jan16.tar.gz 85952234 SHA256 46425bf0ae73f716195a29dc9823c2c5989504f85b49a316bc304caaf6e6a674 SHA512 3ceeeaf76621bbc11ea25d5fb321b602b34ffb3893898a704b02e5cd428a36b2017006fdc1f7b1c5f957c33f26ca103a2939538ae7937555e0b25b5852cd48f3 WHIRLPOOL 7f61ea1924eceb190b7cf56ed32db75f6a45c99dbf1522862124f59acd1f79b1a46310d5e31a988011461a55c319677eaec2bf713e9a5cda0411b5d2280aa784
DIST lammps-6Nov15.tar.gz 90177074 SHA256 b908d87106e89aa813c3d1a2e89f297ab42471ee463ef950f87f284d62aa24ac SHA512 91f8e33a00b3605dbb78f622a19886c11ca8ef3f4babe74e8d8f90bb176d5689e75d619155f58e6754a2756d20c05b74389e34f024167cba1841b8aade171daf WHIRLPOOL 4541537ea73292648764d6c8a7560f3127b8f911f4dcff0a97735c8e75868dc3aec7c2b32a2928ea446e8cfec87c81c9f86a635d29f3a65f42fd27661725911e
+DIST lammps-7Apr16.tar.gz 88791123 SHA256 f87c11cbbdbbb64a337e0608ae0fde11f77d9b32d081a8095376db9bbecc6d5f SHA512 1045f0337b37a19760718a2b3b48d31608248069a8fb2dc43daf555e44e720db770ff53e2a2db09c3e1f2703bb98894516229382c810ce45cca3647f353a21cd WHIRLPOOL 4ed6e93efff84888f982aec4c55adff6eda94fec5608e473fe821f77ea7a867fa7de23cf54fe28007b61304e41c9d7e42f4994e455bfb67cfadf79dbfc019e0b
DIST lammps-7Dec15.tar.gz 82168656 SHA256 7fa1bb1089437c0f38f8c6920286e2f8424e6449956b4d570da2954f507af1e7 SHA512 13078e7614402efc310a178506134409b40fb2768c4d7ee1cfa6992b247ef25169288ec99d4314b1a98125037d7c1c954bd114abc6ac41c58f60506358d150e2 WHIRLPOOL f9ba52c0c93ea6950b2ee7e0f5e15ebef6ea50f647d23cb2f9a1caf523d3dfb8d52adbdf8f8840eebd7f79fc59ab294310b7bf7109b27c6b7e9d6e7d2f18b7ee
DIST lammps-8Dec15.tar.gz 90700099 SHA256 1782a856dcba1696e6e921d891f259e525de750d7cf39ce9457a1992ee4db91f SHA512 0382683a363975bd27cc1722932cd5b8eda9933bc9c676af135d7e4d784acd93cf60b2b47a19dbb9e4a05e5cf2fbf6ccc2c2a914c39e92e87009e23ead2eb497 WHIRLPOOL dca88d8d55e96c20702856b2074d631ef8f6a0f6209672e612778209ad188c800a673e09605033851349b400241b1f7c8e5e05bad49519838abfe5fe44467c43
DIST lammps-9Dec15.tar.gz 82374079 SHA256 36f918174826a80f54e65779ec939e185e81c71f747cb1524e43c58b1869491a SHA512 a35ef5b3ee99162b96ce1a6d6cc3b0dc18bab7f693b824fc7ad52a7477234ed45c3081c399155725f1ebc3bd1bed312176f08d3fc807e7099d4b41b8f75fd11c WHIRLPOOL 045d817e6a2c74fa2f4a5eb337328d6d9183fcedca44a1e608c59bd83fd4086763ff4d6ebed3715ba23cbde04f1233ef3e4a8e3e964ff3af3744c70580b51d0b
diff --git a/sci-physics/lammps/lammps-20160407.ebuild b/sci-physics/lammps/lammps-20160407.ebuild
new file mode 100644
index 0000000..d3fac30
--- /dev/null
+++ b/sci-physics/lammps/lammps-20160407.ebuild
@@ -0,0 +1,218 @@
+# Copyright 1999-2016 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+# blas/lapack is needed by the ATC package which is only built with MPI.
+DEPEND="
+ gzip? ( app-arch/gzip )
+ mpi? (
+ virtual/mpi
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r2.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2016-04-19 13:07 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2016-04-19 13:07 UTC (permalink / raw
To: gentoo-commits
commit: b24226bcbb29c1e850c03aa4c9566f349d6808ea
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Tue Apr 19 13:05:45 2016 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Tue Apr 19 13:07:00 2016 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=b24226bc
sci-physics/lammps: Version bump
Package-Manager: portage-2.2.26
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20160216.ebuild | 218 ++++++++++++++++++++++++++++++
2 files changed, 219 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index a34ea71..ed3e70f 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -5,6 +5,7 @@ DIST lammps-11Dec15.tar.gz 82386057 SHA256 f95cce2efa5f9d5649de22c19c96281f3af7b
DIST lammps-14Mar16.tar.gz 88642225 SHA256 79b7f3e75d553a86c7bf3ffbb8305fd0fe92f6a57d634b983b6a31816a72dabb SHA512 5ba774165ea4957fc3f33c91b96ff7b5e2ab498b6979d7887d5e7dfd464e3c830edffcc341e93fc8dcdb89f3eadd683c0893d4a8d2664ad469aa79ddc39c21b7 WHIRLPOOL ecafe88e06839ce506dba86a30a8548fd6b5771155e4d4c9b42932573ad932854fdecff80299c62ab529d2cfd97147ed3bcdf7ffe034e266914b078ac8708510
DIST lammps-15Jan16.tar.gz 85956338 SHA256 e90816bf20622200f5037415e5c45a0f950f7407886121708b794b1e75b93c3a SHA512 7dc2043afba78ec8d61b5880b6123952b42e5076fe7e3c3855186215054bc28710b89fd5b015d495fcfe38d5970efd43f3e6e834e80f39b6305b551d39f5eeab WHIRLPOOL 13bd3f41047492035c24e11d47b36ec8565d226738be492159ba498827c79eab4a7ec7402e037820b635b0d8d4c56fbdedea482f2f93e370275d717c93bc281c
DIST lammps-15May15.tar.gz 63835027 SHA256 0233ea98c7d77d31bd0a538bb674c0ee8f000f1d0ee1b8c049072873192aa228 SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1 WHIRLPOOL 4c4edfd772bbf534e42fc43e1feaf3b8f76e74c58ec1e985e3c29ee0d8e64aa8c501b8e45e078643409c320a1d834b0d5eb699e7d1ec29df06be0126d12492f1
+DIST lammps-16Feb16.tar.gz 87776530 SHA256 058459f3053cca0b8c0fdd05cca7acab6ac00934c6da8c9008aa0f55fb5ceefb SHA512 f9fdfd4d3b70c864b4dcb7e58315f6fc81e3647a6bc2956d6b3e2760b3edbd8f933a406eb9b32697cabd0d7f8fbb897d873a399c855cb29f3635d6dc797212b8 WHIRLPOOL 84aed0bed369e13bc418b920cf2ef66a72cf956898a4a81c2008394bbdef80bb875caf8d61c80ae48d7844a7abdf351240d48c56365848b0d52e9159d952b1bb
DIST lammps-1Mar16.tar.gz 87945422 SHA256 af2bd7ab2a28aa14b8afa3d8703cbaf27d924400e237bf44e9e2da091c0b91eb SHA512 25b59f840187053a9f47bc41f5d0b29a69ac507e05528fb3e84c2bb8facd90fff95e99cbd8707c8d087371355a2e1c5af1eb3e4115b788444af5d129e754fe9d WHIRLPOOL b45f4ca459a88770c6d194f609f55694bdb50b7a54cf57a34995e4d3f6f0b432f99fdd9c7187c8e614a98b31387bfcc259baa9218f2c3bb5e146991c3a113207
DIST lammps-20Nov15.tar.gz 90227651 SHA256 7c392c848e73335226b2fef6bb8034b1152f91862d955a3bae00502bf9d8e8fe SHA512 4bff70e45fb30be10a33b4c6c60b73cceddf8d42588b0630b4802f1e61dea3c237c01c3667585ad210ef2cdb811491b1b8495718a90bb57853c58245e29d1fe4 WHIRLPOOL a01f54911a5edb666ef5af5302cf60d61d58d20f2112578e4d7bd16787b2bf59da09e9fe7ffa021fb6a97db40b23301ed77010f48a05e5471742c0e71413b7e1
DIST lammps-21Mar16.tar.gz 88654277 SHA256 c2f627db22f332995d90521f0e8d8e9865b85b49cde0ed4bcf727bf4b9b12767 SHA512 27e4a3a0c2c17fb9c85716b499ca2b3de8b0a699891afd32c8409117a0fbe27f1bd84ef16288cc5abda87ee8a7b1059960d8caed5aa339f54290aabeff0fdd4d WHIRLPOOL 370f79af4a8e55851aa0c071d02baddaade991a3208fe504f8b92796bbdb9b17b85af898a71177bbc67d885ffdef9280621c9b7f4bc22cdb14808332cb2eccb8
diff --git a/sci-physics/lammps/lammps-20160216.ebuild b/sci-physics/lammps/lammps-20160216.ebuild
new file mode 100644
index 0000000..08762c3
--- /dev/null
+++ b/sci-physics/lammps/lammps-20160216.ebuild
@@ -0,0 +1,218 @@
+# Copyright 1999-2016 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+# blas/lapack is needed by the ATC package which is only built with MPI.
+DEPEND="
+ gzip? ( app-arch/gzip )
+ mpi? (
+ virtual/blas
+ virtual/lapack
+ virtual/mpi
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ # Patch python.
+ epatch "${FILESDIR}/lammps-python3-r2.patch"
+ epatch "${FILESDIR}/python-shebang.patch"
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2017-01-13 16:02 Andrew Savchenko
0 siblings, 0 replies; 80+ messages in thread
From: Andrew Savchenko @ 2017-01-13 16:02 UTC (permalink / raw
To: gentoo-commits
commit: 1ff60456aa75b7d92b48e863455549e44057e9d0
Author: Andrew Savchenko <bircoph <AT> gentoo <DOT> org>
AuthorDate: Fri Jan 13 16:02:08 2017 +0000
Commit: Andrew Savchenko <bircoph <AT> gentoo <DOT> org>
CommitDate: Fri Jan 13 16:02:52 2017 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=1ff60456
sci-physics/lammps: version bump
Tested with some real wpi jobs, works fine.
Package-Manager: Portage-2.3.3, Repoman-2.3.1
Signed-off-by: Andrew Savchenko <bircoph <AT> gentoo.org>
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20170109.ebuild | 221 ++++++++++++++++++++++++++++++
2 files changed, 222 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 4b79771..2ae0aa9 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -16,3 +16,4 @@ DIST lammps-7Apr16.tar.gz 88791123 SHA256 f87c11cbbdbbb64a337e0608ae0fde11f77d9b
DIST lammps-7Dec15.tar.gz 82168656 SHA256 7fa1bb1089437c0f38f8c6920286e2f8424e6449956b4d570da2954f507af1e7 SHA512 13078e7614402efc310a178506134409b40fb2768c4d7ee1cfa6992b247ef25169288ec99d4314b1a98125037d7c1c954bd114abc6ac41c58f60506358d150e2 WHIRLPOOL f9ba52c0c93ea6950b2ee7e0f5e15ebef6ea50f647d23cb2f9a1caf523d3dfb8d52adbdf8f8840eebd7f79fc59ab294310b7bf7109b27c6b7e9d6e7d2f18b7ee
DIST lammps-8Dec15.tar.gz 90700099 SHA256 1782a856dcba1696e6e921d891f259e525de750d7cf39ce9457a1992ee4db91f SHA512 0382683a363975bd27cc1722932cd5b8eda9933bc9c676af135d7e4d784acd93cf60b2b47a19dbb9e4a05e5cf2fbf6ccc2c2a914c39e92e87009e23ead2eb497 WHIRLPOOL dca88d8d55e96c20702856b2074d631ef8f6a0f6209672e612778209ad188c800a673e09605033851349b400241b1f7c8e5e05bad49519838abfe5fe44467c43
DIST lammps-9Dec15.tar.gz 82374079 SHA256 36f918174826a80f54e65779ec939e185e81c71f747cb1524e43c58b1869491a SHA512 a35ef5b3ee99162b96ce1a6d6cc3b0dc18bab7f693b824fc7ad52a7477234ed45c3081c399155725f1ebc3bd1bed312176f08d3fc807e7099d4b41b8f75fd11c WHIRLPOOL 045d817e6a2c74fa2f4a5eb337328d6d9183fcedca44a1e608c59bd83fd4086763ff4d6ebed3715ba23cbde04f1233ef3e4a8e3e964ff3af3744c70580b51d0b
+DIST lammps-9Jan17.tar.gz 109694893 SHA256 bd3695886e43c5670293efc08ce02c5cd2332d6feb57b4023a6e7b7371a90395 SHA512 ea7c61bc9607ff0e4c0af5c1a668d400841dfc11c6d6aacc6131a48a5a0d11cb6857303626b583d5119e5257b5b338853c5afafcc3870bb30d5743ff5648348c WHIRLPOOL 4678b60f0966102dfb988e289493a94aa2639ad7a1725c981fdb3be15dc7a0c22a81d6d3fe4371188cb82fab25fb4aa4ac7f8c0e9ed1eb2f8983b27f6349fa37
diff --git a/sci-physics/lammps/lammps-20170109.ebuild b/sci-physics/lammps/lammps-20170109.ebuild
new file mode 100644
index 00000000..a70e927
--- /dev/null
+++ b/sci-physics/lammps/lammps-20170109.ebuild
@@ -0,0 +1,221 @@
+# Copyright 1999-2017 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_4} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+# blas/lapack is needed by the ATC package which is only built with MPI.
+DEPEND="
+ gzip? ( app-arch/gzip )
+ mpi? (
+ virtual/mpi
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+PATCHES=(
+ "${FILESDIR}/fm_exp.patch"
+)
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ eapply "${PATCHES[@]}"
+ eapply_user
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain data2xmovie micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/data2xmovie
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dohtml -r doc/*
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2017-06-15 17:37 Pacho Ramos
0 siblings, 0 replies; 80+ messages in thread
From: Pacho Ramos @ 2017-06-15 17:37 UTC (permalink / raw
To: gentoo-commits
commit: 6c3156ac91b365aeef2f65f87bf0e304aba4dd9a
Author: Pacho Ramos <pacho <AT> gentoo <DOT> org>
AuthorDate: Thu Jun 15 17:13:20 2017 +0000
Commit: Pacho Ramos <pacho <AT> gentoo <DOT> org>
CommitDate: Thu Jun 15 17:13:20 2017 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=6c3156ac
sci-physics/lammps: Support newer python
Package-Manager: Portage-2.3.6, Repoman-2.3.2
sci-physics/lammps/lammps-20170109.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20170109.ebuild b/sci-physics/lammps/lammps-20170109.ebuild
index c55b94c5e60..585e9cfb960 100644
--- a/sci-physics/lammps/lammps-20170109.ebuild
+++ b/sci-physics/lammps/lammps-20170109.ebuild
@@ -3,7 +3,7 @@
EAPI=6
-PYTHON_COMPAT=( python{2_7,3_4} )
+PYTHON_COMPAT=( python{2_7,3_4,3_5,3_6} )
inherit eutils flag-o-matic fortran-2 multilib python-r1
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2017-07-11 22:09 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2017-07-11 22:09 UTC (permalink / raw
To: gentoo-commits
commit: c3e368dfd0114464431f0bd40a98b00b976c9512
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Tue Jul 11 22:10:01 2017 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Tue Jul 11 22:09:00 2017 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=c3e368df
sci-physics/lammps: version bump
Package-Manager: Portage-2.3.6, Repoman-2.3.1
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20170706.ebuild | 219 ++++++++++++++++++++++++++++++
2 files changed, 220 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 2ae0aa97f2e..2fe4a664c63 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -11,6 +11,7 @@ DIST lammps-20Nov15.tar.gz 90227651 SHA256 7c392c848e73335226b2fef6bb8034b1152f9
DIST lammps-21Mar16.tar.gz 88654277 SHA256 c2f627db22f332995d90521f0e8d8e9865b85b49cde0ed4bcf727bf4b9b12767 SHA512 27e4a3a0c2c17fb9c85716b499ca2b3de8b0a699891afd32c8409117a0fbe27f1bd84ef16288cc5abda87ee8a7b1059960d8caed5aa339f54290aabeff0fdd4d WHIRLPOOL 370f79af4a8e55851aa0c071d02baddaade991a3208fe504f8b92796bbdb9b17b85af898a71177bbc67d885ffdef9280621c9b7f4bc22cdb14808332cb2eccb8
DIST lammps-22Jan16.tar.gz 85952234 SHA256 46425bf0ae73f716195a29dc9823c2c5989504f85b49a316bc304caaf6e6a674 SHA512 3ceeeaf76621bbc11ea25d5fb321b602b34ffb3893898a704b02e5cd428a36b2017006fdc1f7b1c5f957c33f26ca103a2939538ae7937555e0b25b5852cd48f3 WHIRLPOOL 7f61ea1924eceb190b7cf56ed32db75f6a45c99dbf1522862124f59acd1f79b1a46310d5e31a988011461a55c319677eaec2bf713e9a5cda0411b5d2280aa784
DIST lammps-30Jul16.tar.gz 94454127 SHA256 41104065bfb433e9c69a88bf4c0d760a02186cbf81ec481332665b28f8503c1f SHA512 2ebcf30502810f8d6be107760bef0b9b4591142511ae410e7b44573fe9988bbbba5e8d5bfd16f74a3875bb1c41dbc6216a1c7e8a9b1d316fdf19a901ac4479d5 WHIRLPOOL e081b9eaed5a439be1c80c844629030af02b4cff6ed57cac3db209981b9d4e7381315c82de5f76fff7f8ead5b6250a1a4207d3f18c97c59e3ece2a716697175e
+DIST lammps-6Jul17.tar.gz 119855769 SHA256 0bccf939745309075dc9ad76f5b24e8dc2a9d17165f22f1d11ee7dbc11a5f16e SHA512 6351020311e63be126bf74adaf5667fdf232de48e74f269248d565fa0b6038c81bb16d6b5d01a7de0fdcd195aed41e9b4b69c339c6ff6da585babd458a55f04d WHIRLPOOL 8e4170982f135e82251dd21fa3fdf5d0880f3255a7f838f74c153059fc17fd7aa1159f5425151c5f655a2f7c4cc485451e19c1bf82210a7fd9034316f3d89c77
DIST lammps-6Nov15.tar.gz 90177074 SHA256 b908d87106e89aa813c3d1a2e89f297ab42471ee463ef950f87f284d62aa24ac SHA512 91f8e33a00b3605dbb78f622a19886c11ca8ef3f4babe74e8d8f90bb176d5689e75d619155f58e6754a2756d20c05b74389e34f024167cba1841b8aade171daf WHIRLPOOL 4541537ea73292648764d6c8a7560f3127b8f911f4dcff0a97735c8e75868dc3aec7c2b32a2928ea446e8cfec87c81c9f86a635d29f3a65f42fd27661725911e
DIST lammps-7Apr16.tar.gz 88791123 SHA256 f87c11cbbdbbb64a337e0608ae0fde11f77d9b32d081a8095376db9bbecc6d5f SHA512 1045f0337b37a19760718a2b3b48d31608248069a8fb2dc43daf555e44e720db770ff53e2a2db09c3e1f2703bb98894516229382c810ce45cca3647f353a21cd WHIRLPOOL 4ed6e93efff84888f982aec4c55adff6eda94fec5608e473fe821f77ea7a867fa7de23cf54fe28007b61304e41c9d7e42f4994e455bfb67cfadf79dbfc019e0b
DIST lammps-7Dec15.tar.gz 82168656 SHA256 7fa1bb1089437c0f38f8c6920286e2f8424e6449956b4d570da2954f507af1e7 SHA512 13078e7614402efc310a178506134409b40fb2768c4d7ee1cfa6992b247ef25169288ec99d4314b1a98125037d7c1c954bd114abc6ac41c58f60506358d150e2 WHIRLPOOL f9ba52c0c93ea6950b2ee7e0f5e15ebef6ea50f647d23cb2f9a1caf523d3dfb8d52adbdf8f8840eebd7f79fc59ab294310b7bf7109b27c6b7e9d6e7d2f18b7ee
diff --git a/sci-physics/lammps/lammps-20170706.ebuild b/sci-physics/lammps/lammps-20170706.ebuild
new file mode 100644
index 00000000000..46587b5d81c
--- /dev/null
+++ b/sci-physics/lammps/lammps-20170706.ebuild
@@ -0,0 +1,219 @@
+# Copyright 1999-2017 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_4,3_5,3_6} )
+
+inherit eutils flag-o-matic fortran-2 multilib python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="doc examples gzip lammps-memalign mpi python static-libs"
+
+# blas/lapack is needed by the ATC package which is only built with MPI.
+DEPEND="
+ gzip? ( app-arch/gzip )
+ mpi? (
+ virtual/mpi
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}"
+
+PATCHES=(
+ "${FILESDIR}/fm_exp.patch"
+)
+
+lmp_emake() {
+ local LAMMPS_INCLUDEFLAGS
+ LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
+ LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
+
+ # The lammps makefile uses CC to indicate the C++ compiler.
+ emake \
+ ARCHIVE="$(tc-getAR)" \
+ CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
+ LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
+ CCFLAGS="${CXXFLAGS}" \
+ F90FLAGS="${FCFLAGS}" \
+ LINKFLAGS="${LDFLAGS}" \
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
+ MPI_INC="$(usex mpi "" "-I../STUBS")" \
+ MPI_PATH="$(usex mpi "" "-L../STUBS")" \
+ MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
+ user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
+ "$@"
+}
+
+lmp_activate_packages() {
+ # Build packages
+ local packages=( yes-asphere yes-body yes-class2 yes-colloid \
+ yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
+ yes-manybody yes-mc yes-meam yes-misc \
+ $(usex mpi "yes-user-atc" "") \
+ yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
+ yes-replica yes-rigid yes-shock yes-snap yes-srd \
+ yes-user-eff yes-user-fep \
+ $(usex mpi "yes-user-lb" "") \
+ yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
+
+ for p in ${packages[@]}; do
+ lmp_emake -C src ${p}
+ done
+}
+
+lmp_build_packages() {
+ lmp_emake -C lib/meam -j1 -f Makefile.gfortran
+ lmp_emake -C lib/poems -f Makefile.g++
+ lmp_emake -C lib/reax -j1 -f Makefile.gfortran
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++
+}
+
+lmp_clean_packages() {
+ lmp_emake -C lib/meam -f Makefile.gfortran clean
+ lmp_emake -C lib/poems -f Makefile.g++ clean
+ lmp_emake -C lib/reax -f Makefile.gfortran clean
+ use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
+}
+
+src_prepare() {
+ # Fix inconsistent use of SHFLAGS.
+ sed -i \
+ -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
+ -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
+ lib/voronoi/Makefile.lammps || die
+
+ # Fix missing .so name.
+ sed -i \
+ -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
+ src/MAKE/Makefile.serial || die
+
+ # Fix makefile in tools.
+ sed -i \
+ -e 's:g++:$(CXX) $(CXXFLAGS):' \
+ -e 's:gcc:$(CC) $(CCFLAGS):' \
+ -e 's:ifort:$(FC) $(FCFLAGS):' \
+ tools/Makefile || die
+
+ eapply "${PATCHES[@]}"
+ eapply_user
+}
+
+src_compile() {
+ # Fix atc...
+ append-cxxflags -I../../src
+
+ # Acticate packages.
+ elog "Activating lammps packages..."
+ lmp_activate_packages
+
+ # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
+ # "mpi.h"' which requires an additional '-I.'.
+ append-cxxflags -I.
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ if use static-libs; then
+ # Build static library.
+ elog "Building static library..."
+ lmp_emake -C src mode=lib serial
+ fi
+
+ # Clean out packages (that's not done by the build system with the clean
+ # target), so we can rebuild the packages with -fPIC.
+ elog "Cleaning packages..."
+ lmp_clean_packages
+
+ # The build system does not rebuild the packages with -fPIC, adding flag
+ # manually.
+ append-cxxflags -fPIC
+ append-fflags -fPIC
+
+ # Compile stubs for serial version.
+ use mpi || lmp_emake -C src mpi-stubs
+
+ elog "Building packages..."
+ lmp_build_packages
+
+ # Build shared library.
+ elog "Building shared library..."
+ lmp_emake -C src mode=shlib serial
+
+ # Compile main executable. The shared library is always built, and
+ # mode=shexe is simply a way to re-use the object files built in the
+ # "shlib" step when linking the executable. The executable is not actually
+ # using the shared library. If we have built the static library, then we
+ # link that into the executable.
+ elog "Linking executable..."
+ if use static-libs; then
+ lmp_emake -C src mode=exe serial
+ else
+ lmp_emake -C src mode=shexe serial
+ fi
+
+ # Compile tools.
+ elog "Building tools..."
+ lmp_emake -C tools binary2txt chain micelle2d
+}
+
+src_install() {
+ use static-libs && newlib.a src/liblammps_serial.a liblammps.a
+ newlib.so src/liblammps_serial.so liblammps.so.0.0.0
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
+ dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
+ newbin src/lmp_serial lmp
+ dobin tools/binary2txt
+ dobin tools/chain
+ dobin tools/micelle2d
+ # Don't forget to add header files of optional packages as they are added
+ # to this ebuild. There may also be .mod files from Fortran based
+ # packages.
+ insinto "/usr/include/${PN}"
+ doins -r src/*.h lib/meam/*.mod
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r examples/*
+ fi
+
+ dodoc README
+ if use doc; then
+ dodoc doc/Manual.pdf
+ dodoc -r doc/.
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2017-07-31 11:36 Tobias Klausmann
0 siblings, 0 replies; 80+ messages in thread
From: Tobias Klausmann @ 2017-07-31 11:36 UTC (permalink / raw
To: gentoo-commits
commit: 402dba73f848e76791f058fc72bb00e38b2bbee8
Author: Tobias Klausmann <klausman <AT> gentoo <DOT> org>
AuthorDate: Mon Jul 31 11:05:19 2017 +0000
Commit: Tobias Klausmann <klausman <AT> gentoo <DOT> org>
CommitDate: Mon Jul 31 11:36:48 2017 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=402dba73
sci-physics/lammps-20170109-r0: amd64 stable
Gentoo-Bug: 625090
sci-physics/lammps/lammps-20170109.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20170109.ebuild b/sci-physics/lammps/lammps-20170109.ebuild
index 585e9cfb960..ced85f4916e 100644
--- a/sci-physics/lammps/lammps-20170109.ebuild
+++ b/sci-physics/lammps/lammps-20170109.ebuild
@@ -20,7 +20,7 @@ SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="~amd64 ~x86"
+KEYWORDS="amd64 ~x86"
IUSE="doc examples gzip lammps-memalign mpi python static-libs"
# blas/lapack is needed by the ATC package which is only built with MPI.
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2017-08-05 9:52 Michael Palimaka
0 siblings, 0 replies; 80+ messages in thread
From: Michael Palimaka @ 2017-08-05 9:52 UTC (permalink / raw
To: gentoo-commits
commit: 157c5821b188b61fb11f8b0a2bbb184cfb32b080
Author: Michael Palimaka <kensington <AT> gentoo <DOT> org>
AuthorDate: Sat Aug 5 09:51:30 2017 +0000
Commit: Michael Palimaka <kensington <AT> gentoo <DOT> org>
CommitDate: Sat Aug 5 09:51:52 2017 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=157c5821
sci-physics/lammps: x86 stable
Package-Manager: Portage-2.3.6, Repoman-2.3.3
sci-physics/lammps/lammps-20170109.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20170109.ebuild b/sci-physics/lammps/lammps-20170109.ebuild
index ced85f4916e..9daef6aa680 100644
--- a/sci-physics/lammps/lammps-20170109.ebuild
+++ b/sci-physics/lammps/lammps-20170109.ebuild
@@ -20,7 +20,7 @@ SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="amd64 ~x86"
+KEYWORDS="amd64 x86"
IUSE="doc examples gzip lammps-memalign mpi python static-libs"
# blas/lapack is needed by the ATC package which is only built with MPI.
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2017-09-08 16:38 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2017-09-08 16:38 UTC (permalink / raw
To: gentoo-commits
commit: e924538b99132c549fe77b8b3452e21df306f657
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Fri Sep 8 16:38:05 2017 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Fri Sep 8 16:38:29 2017 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=e924538b
sci-physics/lammps: version bump
Package-Manager: Portage-2.3.6, Repoman-2.3.1
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20170901.ebuild | 126 ++++++++++++++++++++++++++++++
sci-physics/lammps/metadata.xml | 1 +
3 files changed, 128 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 2fe4a664c63..c3d809fdbd2 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -18,3 +18,4 @@ DIST lammps-7Dec15.tar.gz 82168656 SHA256 7fa1bb1089437c0f38f8c6920286e2f8424e64
DIST lammps-8Dec15.tar.gz 90700099 SHA256 1782a856dcba1696e6e921d891f259e525de750d7cf39ce9457a1992ee4db91f SHA512 0382683a363975bd27cc1722932cd5b8eda9933bc9c676af135d7e4d784acd93cf60b2b47a19dbb9e4a05e5cf2fbf6ccc2c2a914c39e92e87009e23ead2eb497 WHIRLPOOL dca88d8d55e96c20702856b2074d631ef8f6a0f6209672e612778209ad188c800a673e09605033851349b400241b1f7c8e5e05bad49519838abfe5fe44467c43
DIST lammps-9Dec15.tar.gz 82374079 SHA256 36f918174826a80f54e65779ec939e185e81c71f747cb1524e43c58b1869491a SHA512 a35ef5b3ee99162b96ce1a6d6cc3b0dc18bab7f693b824fc7ad52a7477234ed45c3081c399155725f1ebc3bd1bed312176f08d3fc807e7099d4b41b8f75fd11c WHIRLPOOL 045d817e6a2c74fa2f4a5eb337328d6d9183fcedca44a1e608c59bd83fd4086763ff4d6ebed3715ba23cbde04f1233ef3e4a8e3e964ff3af3744c70580b51d0b
DIST lammps-9Jan17.tar.gz 109694893 SHA256 bd3695886e43c5670293efc08ce02c5cd2332d6feb57b4023a6e7b7371a90395 SHA512 ea7c61bc9607ff0e4c0af5c1a668d400841dfc11c6d6aacc6131a48a5a0d11cb6857303626b583d5119e5257b5b338853c5afafcc3870bb30d5743ff5648348c WHIRLPOOL 4678b60f0966102dfb988e289493a94aa2639ad7a1725c981fdb3be15dc7a0c22a81d6d3fe4371188cb82fab25fb4aa4ac7f8c0e9ed1eb2f8983b27f6349fa37
+DIST lammps-patch_1Sep2017.tar.gz 88751184 SHA256 bb05b59c57609be5efb1d70ba3d04c337e92c75fc7eff767921611c5df14bf0e SHA512 01b56484d6e9d03c0cdc2f8100f571d6e0a354b08bda7f22176744f2724e566443514e7d8abb0571d4207709155441644d4c6dbcf17ee2a8dc4f10cb6c3e8ac1 WHIRLPOOL b4ccae0152c56850dbe50492f4fd545b15ab0418856a3d3c34cf500055463b696952dc38cd3aef194257cbd7166c2c52493bedccc6627d1bd715d8a4b2700910
diff --git a/sci-physics/lammps/lammps-20170901.ebuild b/sci-physics/lammps/lammps-20170901.ebuild
new file mode 100644
index 00000000000..e6d3fe0bd86
--- /dev/null
+++ b/sci-physics/lammps/lammps-20170901.ebuild
@@ -0,0 +1,126 @@
+# Copyright 1999-2017 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_4,3_5,3_6} )
+
+inherit cmake-utils fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DBUILD_SHARED_LIBS=ON
+ -DENABLE_MPI=$(usex mpi)
+ -DENABLE_GPU=$(usex cuda)
+ -DENABLE_TESTING=$(usex test)
+ -DENABLE_ASPHERE=ON
+ -DENABLE_BODY=ON
+ -DENABLE_CLASS2=ON
+ -DENABLE_COLLOID=ON
+ -DENABLE_COMPRESS=ON
+ -DENABLE_CORESHELL=ON
+ -DENABLE_DIPOLE=ON
+ -DENABLE_GRANULAR=ON
+ -DENABLE_KSPACE=ON
+ -DFFT=FFTW3
+ -DENABLE_MANYBODY=ON
+ -DENABLE_MC=ON
+ -DENABLE_MEAM=ON
+ -DENABLE_MISC=ON
+ -DENABLE_MOLECULE=ON
+ -DENABLE_PERI=ON
+ -DENABLE_QEQ=ON
+ -DENABLE_REAX=ON
+ -DENABLE_REPLICA=ON
+ -DENABLE_RIGID=ON
+ -DENABLE_SHOCK=ON
+ -DENABLE_SNAP=ON
+ -DENABLE_SRD=ON
+ -DENABLE_PYTHON=ON
+ -DENABLE_MPIIO=$(usex mpi)
+ -DENABLE_VORONOI=ON
+ -DENABLE_USER-ATC=ON
+ -DENABLE_USER-AWPMD=ON
+ -DENABLE_USER-CGDNA=ON
+ -DENABLE_USER-CGSDK=ON
+ -DENABLE_USER-COLVARS=ON
+ -DENABLE_USER-DIFFRACTION=ON
+ -DENABLE_USER-DPD=ON
+ -DENABLE_USER-DRUDE=ON
+ -DENABLE_USER-EFF=ON
+ -DENABLE_USER-FEP=ON
+ -DENABLE_USER-H5MD=$(usex mpi)
+ -DENABLE_USER-LB=$(usex mpi)
+ -DENABLE_USER-MANIFOLD=ON
+ -DENABLE_USER-MEAMC=ON
+ -DENABLE_USER-MGPT=ON
+ -DENABLE_USER-MISC=ON
+ -DENABLE_USER-MOLFILE=ON
+ -DENABLE_USER-NETCDF=$(usex netcdf)
+ -DENABLE_USER-PHONON=ON
+ -DENABLE_USER-QTB=ON
+ -DENABLE_USER-REAXC=ON
+ -DENABLE_USER-SMD=ON
+ -DENABLE_USER-SMTBQ=ON
+ -DENABLE_USER-SPH=ON
+ -DENABLE_USER-TALLY=ON
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins "${S}"/../potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
+
+ if use examples; then
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../examples/*
+ fi
+}
diff --git a/sci-physics/lammps/metadata.xml b/sci-physics/lammps/metadata.xml
index 99078c97a43..8f2d53d1312 100644
--- a/sci-physics/lammps/metadata.xml
+++ b/sci-physics/lammps/metadata.xml
@@ -19,6 +19,7 @@
<flag name="lammps-memalign">Enables the use of the posix_memalign()
call instead of malloc() when large chunks or memory are allocated
by LAMMPS. Aliengnment is on 16 byte boundaries.</flag>
+ <flag name="cuda">Enable cuda non-bonded kernels</flag>
</use>
<maintainer type="person">
<email>nicolasbock@gentoo.org</email>
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2017-09-12 13:09 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2017-09-12 13:09 UTC (permalink / raw
To: gentoo-commits
commit: 20d0b46defdc438b3d601750d30893b9817a803a
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Tue Sep 12 13:08:58 2017 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Tue Sep 12 13:09:17 2017 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=20d0b46d
sci-physics/lammps: fix deps (#630700) and rpc incl (#630700)
Package-Manager: Portage-2.3.6, Repoman-2.3.1
sci-physics/lammps/lammps-20170901.ebuild | 3 +++
1 file changed, 3 insertions(+)
diff --git a/sci-physics/lammps/lammps-20170901.ebuild b/sci-physics/lammps/lammps-20170901.ebuild
index e6d3fe0bd86..06b90c07a4b 100644
--- a/sci-physics/lammps/lammps-20170901.ebuild
+++ b/sci-physics/lammps/lammps-20170901.ebuild
@@ -30,11 +30,13 @@ DEPEND="
sys-libs/zlib
mpi? (
virtual/mpi
+ sci-libs/hdf5[mpi]
)
python? ( ${PYTHON_DEPS} )
sci-libs/voro++
virtual/blas
virtual/lapack
+ sci-libs/fftw:3.0
netcdf? ( sci-libs/netcdf )
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
dev-cpp/eigen:3
@@ -65,6 +67,7 @@ src_configure() {
-DENABLE_MC=ON
-DENABLE_MEAM=ON
-DENABLE_MISC=ON
+ -DLAMMPS_XDR=ON #630444
-DENABLE_MOLECULE=ON
-DENABLE_PERI=ON
-DENABLE_QEQ=ON
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2017-11-19 15:10 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2017-11-19 15:10 UTC (permalink / raw
To: gentoo-commits
commit: aa2e2c8265319b886a3ebc3f2cfc7451e16412eb
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Sun Nov 19 15:09:45 2017 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Sun Nov 19 15:10:15 2017 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=aa2e2c82
sci-physics/lammps: Include bench subdirectory
Using the `examples` USE flag did not include the `bench` subdirectory,
which is needed for some of the examples.
Fixes: #637672
Package-Manager: Portage-2.3.13, Repoman-2.3.3
sci-physics/lammps/lammps-20170901-r1.ebuild | 131 +++++++++++++++++++++++++++
sci-physics/lammps/metadata.xml | 26 +++---
2 files changed, 144 insertions(+), 13 deletions(-)
diff --git a/sci-physics/lammps/lammps-20170901-r1.ebuild b/sci-physics/lammps/lammps-20170901-r1.ebuild
new file mode 100644
index 00000000000..6d06f933ada
--- /dev/null
+++ b/sci-physics/lammps/lammps-20170901-r1.ebuild
@@ -0,0 +1,131 @@
+# Copyright 1999-2017 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_4,3_5,3_6} )
+
+inherit cmake-utils fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DBUILD_SHARED_LIBS=ON
+ -DENABLE_MPI=$(usex mpi)
+ -DENABLE_GPU=$(usex cuda)
+ -DENABLE_TESTING=$(usex test)
+ -DENABLE_ASPHERE=ON
+ -DENABLE_BODY=ON
+ -DENABLE_CLASS2=ON
+ -DENABLE_COLLOID=ON
+ -DENABLE_COMPRESS=ON
+ -DENABLE_CORESHELL=ON
+ -DENABLE_DIPOLE=ON
+ -DENABLE_GRANULAR=ON
+ -DENABLE_KSPACE=ON
+ -DFFT=FFTW3
+ -DENABLE_MANYBODY=ON
+ -DENABLE_MC=ON
+ -DENABLE_MEAM=ON
+ -DENABLE_MISC=ON
+ -DLAMMPS_XDR=ON #630444
+ -DENABLE_MOLECULE=ON
+ -DENABLE_PERI=ON
+ -DENABLE_QEQ=ON
+ -DENABLE_REAX=ON
+ -DENABLE_REPLICA=ON
+ -DENABLE_RIGID=ON
+ -DENABLE_SHOCK=ON
+ -DENABLE_SNAP=ON
+ -DENABLE_SRD=ON
+ -DENABLE_PYTHON=ON
+ -DENABLE_MPIIO=$(usex mpi)
+ -DENABLE_VORONOI=ON
+ -DENABLE_USER-ATC=ON
+ -DENABLE_USER-AWPMD=ON
+ -DENABLE_USER-CGDNA=ON
+ -DENABLE_USER-CGSDK=ON
+ -DENABLE_USER-COLVARS=ON
+ -DENABLE_USER-DIFFRACTION=ON
+ -DENABLE_USER-DPD=ON
+ -DENABLE_USER-DRUDE=ON
+ -DENABLE_USER-EFF=ON
+ -DENABLE_USER-FEP=ON
+ -DENABLE_USER-H5MD=$(usex mpi)
+ -DENABLE_USER-LB=$(usex mpi)
+ -DENABLE_USER-MANIFOLD=ON
+ -DENABLE_USER-MEAMC=ON
+ -DENABLE_USER-MGPT=ON
+ -DENABLE_USER-MISC=ON
+ -DENABLE_USER-MOLFILE=ON
+ -DENABLE_USER-NETCDF=$(usex netcdf)
+ -DENABLE_USER-PHONON=ON
+ -DENABLE_USER-QTB=ON
+ -DENABLE_USER-REAXC=ON
+ -DENABLE_USER-SMD=ON
+ -DENABLE_USER-SMTBQ=ON
+ -DENABLE_USER-SPH=ON
+ -DENABLE_USER-TALLY=ON
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins "${S}"/../potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
diff --git a/sci-physics/lammps/metadata.xml b/sci-physics/lammps/metadata.xml
index 8f2d53d1312..be0e36d7abe 100644
--- a/sci-physics/lammps/metadata.xml
+++ b/sci-physics/lammps/metadata.xml
@@ -1,7 +1,7 @@
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
- <longdescription lang="en">
+ <longdescription lang="en">
LAMMPS is a classical molecular dynamics code, and an acronym for
Large-scale Atomic/Molecular Massively Parallel Simulator.
@@ -15,18 +15,18 @@
techniques and a spatial-decomposition of the simulation domain. The
code is designed to be easy to modify or extend with new functionality.
</longdescription>
- <use>
- <flag name="lammps-memalign">Enables the use of the posix_memalign()
+ <use>
+ <flag name="lammps-memalign">Enables the use of the posix_memalign()
call instead of malloc() when large chunks or memory are allocated
by LAMMPS. Aliengnment is on 16 byte boundaries.</flag>
- <flag name="cuda">Enable cuda non-bonded kernels</flag>
- </use>
- <maintainer type="person">
- <email>nicolasbock@gentoo.org</email>
- <name>Nicolas Bock</name>
- </maintainer>
-<maintainer type="project">
- <email>sci-physics@gentoo.org</email>
- <name>Gentoo Physics Project</name>
- </maintainer>
+ <flag name="cuda">Enable cuda non-bonded kernels</flag>
+ </use>
+ <maintainer type="person">
+ <email>nicolasbock@gentoo.org</email>
+ <name>Nicolas Bock</name>
+ </maintainer>
+ <maintainer type="project">
+ <email>sci-physics@gentoo.org</email>
+ <name>Gentoo Physics Project</name>
+ </maintainer>
</pkgmetadata>
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2018-01-29 2:59 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2018-01-29 2:59 UTC (permalink / raw
To: gentoo-commits
commit: 307e866d964377e434e66d5134dde840daa416c3
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Sat Jan 27 03:07:16 2018 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Mon Jan 29 02:58:42 2018 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=307e866d
sci-physics/lammps: version bump
Package-Manager: Portage-2.3.19, Repoman-2.3.6
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20180117.ebuild | 131 ++++++++++++++++++++++++++++++
2 files changed, 132 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 4f44c46a59c..66f3eaa1b88 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -18,4 +18,5 @@ DIST lammps-7Dec15.tar.gz 82168656 BLAKE2B c32a2f543ba5c9eaa96486f169228b4748d08
DIST lammps-8Dec15.tar.gz 90700099 BLAKE2B 04dcc39e9fb47e4033ba41eee7455d503c9c9616a11a2d8881948a2708bdde6c502ef1b7ab912c027c390bb40b927714de3fba91afdced0f26dfc0fa86775ed3 SHA512 0382683a363975bd27cc1722932cd5b8eda9933bc9c676af135d7e4d784acd93cf60b2b47a19dbb9e4a05e5cf2fbf6ccc2c2a914c39e92e87009e23ead2eb497
DIST lammps-9Dec15.tar.gz 82374079 BLAKE2B 8b5054b59162b98bf98980a8ece344af733ded5befe67404f03ed48c8191dbf640992b978f8fabcfb6936c876bf0e756aee68b4a50542dfc9c28f5d448846717 SHA512 a35ef5b3ee99162b96ce1a6d6cc3b0dc18bab7f693b824fc7ad52a7477234ed45c3081c399155725f1ebc3bd1bed312176f08d3fc807e7099d4b41b8f75fd11c
DIST lammps-9Jan17.tar.gz 109694893 BLAKE2B dc3af18d4a7db43d22bc4d2ed79366f7f1b73cd5f8951d289ce6ad0a572b14fd8f1bc946382afe9fc60bc46354beb374caf09d195419235e077bf9386259f194 SHA512 ea7c61bc9607ff0e4c0af5c1a668d400841dfc11c6d6aacc6131a48a5a0d11cb6857303626b583d5119e5257b5b338853c5afafcc3870bb30d5743ff5648348c
+DIST lammps-patch_17Jan2018.tar.gz 91721592 BLAKE2B d606a5fd699f3e7aaa777065532f778e96a5b21b88de3fcce69e79c4931fea233ed1ad68f56120865061623c6e33282b9f23f927a7a9820f8f824a241e5cd823 SHA512 533ada073882e9bfc6431db62c4899005983d9efbbb043bcb50b2b0a7af2b11c411bbcc6523b2ffbd5d46531b24573f4b98a07dc757bacbc2f27bb056d7956ff
DIST lammps-patch_1Sep2017.tar.gz 88751184 BLAKE2B 013ba612c67767c0e11b64f0b726a81c534ceb763ac9eba9a94ef9e02166278c28cb5937162b83f783b80fef6471b0e265e45245cc5594eaa2b27ec2d5f972cf SHA512 01b56484d6e9d03c0cdc2f8100f571d6e0a354b08bda7f22176744f2724e566443514e7d8abb0571d4207709155441644d4c6dbcf17ee2a8dc4f10cb6c3e8ac1
diff --git a/sci-physics/lammps/lammps-20180117.ebuild b/sci-physics/lammps/lammps-20180117.ebuild
new file mode 100644
index 00000000000..1f8951205bb
--- /dev/null
+++ b/sci-physics/lammps/lammps-20180117.ebuild
@@ -0,0 +1,131 @@
+# Copyright 1999-2018 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_4,3_5,3_6} )
+
+inherit cmake-utils fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DBUILD_SHARED_LIBS=ON
+ -DENABLE_MPI=$(usex mpi)
+ -DENABLE_GPU=$(usex cuda)
+ -DENABLE_TESTING=$(usex test)
+ -DENABLE_ASPHERE=ON
+ -DENABLE_BODY=ON
+ -DENABLE_CLASS2=ON
+ -DENABLE_COLLOID=ON
+ -DENABLE_COMPRESS=ON
+ -DENABLE_CORESHELL=ON
+ -DENABLE_DIPOLE=ON
+ -DENABLE_GRANULAR=ON
+ -DENABLE_KSPACE=ON
+ -DFFT=FFTW3
+ -DENABLE_MANYBODY=ON
+ -DENABLE_MC=ON
+ -DENABLE_MEAM=ON
+ -DENABLE_MISC=ON
+ -DLAMMPS_XDR=ON #630444
+ -DENABLE_MOLECULE=ON
+ -DENABLE_PERI=ON
+ -DENABLE_QEQ=ON
+ -DENABLE_REAX=ON
+ -DENABLE_REPLICA=ON
+ -DENABLE_RIGID=ON
+ -DENABLE_SHOCK=ON
+ -DENABLE_SNAP=ON
+ -DENABLE_SRD=ON
+ -DENABLE_PYTHON=ON
+ -DENABLE_MPIIO=$(usex mpi)
+ -DENABLE_VORONOI=ON
+ -DENABLE_USER-ATC=ON
+ -DENABLE_USER-AWPMD=ON
+ -DENABLE_USER-CGDNA=ON
+ -DENABLE_USER-CGSDK=ON
+ -DENABLE_USER-COLVARS=ON
+ -DENABLE_USER-DIFFRACTION=ON
+ -DENABLE_USER-DPD=ON
+ -DENABLE_USER-DRUDE=ON
+ -DENABLE_USER-EFF=ON
+ -DENABLE_USER-FEP=ON
+ -DENABLE_USER-H5MD=$(usex mpi)
+ -DENABLE_USER-LB=$(usex mpi)
+ -DENABLE_USER-MANIFOLD=ON
+ -DENABLE_USER-MEAMC=ON
+ -DENABLE_USER-MGPT=ON
+ -DENABLE_USER-MISC=ON
+ -DENABLE_USER-MOLFILE=ON
+ -DENABLE_USER-NETCDF=$(usex netcdf)
+ -DENABLE_USER-PHONON=ON
+ -DENABLE_USER-QTB=ON
+ -DENABLE_USER-REAXC=ON
+ -DENABLE_USER-SMD=ON
+ -DENABLE_USER-SMTBQ=ON
+ -DENABLE_USER-SPH=ON
+ -DENABLE_USER-TALLY=ON
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins "${S}"/../potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2018-03-05 18:11 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2018-03-05 18:11 UTC (permalink / raw
To: gentoo-commits
commit: e070bdb0ed20dfbdba4deedddd1df0c3943f5dd0
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Mon Mar 5 18:10:22 2018 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Mon Mar 5 18:10:42 2018 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=e070bdb0
sci-physics/lammps: version bump
Package-Manager: Portage-2.3.19, Repoman-2.3.6
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20180222.ebuild | 131 ++++++++++++++++++++++++++++++
2 files changed, 132 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 66f3eaa1b88..47c93a0d4db 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -20,3 +20,4 @@ DIST lammps-9Dec15.tar.gz 82374079 BLAKE2B 8b5054b59162b98bf98980a8ece344af733de
DIST lammps-9Jan17.tar.gz 109694893 BLAKE2B dc3af18d4a7db43d22bc4d2ed79366f7f1b73cd5f8951d289ce6ad0a572b14fd8f1bc946382afe9fc60bc46354beb374caf09d195419235e077bf9386259f194 SHA512 ea7c61bc9607ff0e4c0af5c1a668d400841dfc11c6d6aacc6131a48a5a0d11cb6857303626b583d5119e5257b5b338853c5afafcc3870bb30d5743ff5648348c
DIST lammps-patch_17Jan2018.tar.gz 91721592 BLAKE2B d606a5fd699f3e7aaa777065532f778e96a5b21b88de3fcce69e79c4931fea233ed1ad68f56120865061623c6e33282b9f23f927a7a9820f8f824a241e5cd823 SHA512 533ada073882e9bfc6431db62c4899005983d9efbbb043bcb50b2b0a7af2b11c411bbcc6523b2ffbd5d46531b24573f4b98a07dc757bacbc2f27bb056d7956ff
DIST lammps-patch_1Sep2017.tar.gz 88751184 BLAKE2B 013ba612c67767c0e11b64f0b726a81c534ceb763ac9eba9a94ef9e02166278c28cb5937162b83f783b80fef6471b0e265e45245cc5594eaa2b27ec2d5f972cf SHA512 01b56484d6e9d03c0cdc2f8100f571d6e0a354b08bda7f22176744f2724e566443514e7d8abb0571d4207709155441644d4c6dbcf17ee2a8dc4f10cb6c3e8ac1
+DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B 09d364b489d4402145b879ca40b290a4e33f39b6e5e4183bcccb09001002cb742917c8792f942a8b64bd992cde5c0f8dcd8b76506048f1392d33d1192aa4551d SHA512 8d4ac0f9cdcf4caa10bfb48129eec21cf31f7ce881b4cbd803c20fb638f7e55a1e645d314e172fe70eab473a4976c7f482e8c059e0c4e82527eb9438437ae146
diff --git a/sci-physics/lammps/lammps-20180222.ebuild b/sci-physics/lammps/lammps-20180222.ebuild
new file mode 100644
index 00000000000..1f8951205bb
--- /dev/null
+++ b/sci-physics/lammps/lammps-20180222.ebuild
@@ -0,0 +1,131 @@
+# Copyright 1999-2018 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_4,3_5,3_6} )
+
+inherit cmake-utils fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DBUILD_SHARED_LIBS=ON
+ -DENABLE_MPI=$(usex mpi)
+ -DENABLE_GPU=$(usex cuda)
+ -DENABLE_TESTING=$(usex test)
+ -DENABLE_ASPHERE=ON
+ -DENABLE_BODY=ON
+ -DENABLE_CLASS2=ON
+ -DENABLE_COLLOID=ON
+ -DENABLE_COMPRESS=ON
+ -DENABLE_CORESHELL=ON
+ -DENABLE_DIPOLE=ON
+ -DENABLE_GRANULAR=ON
+ -DENABLE_KSPACE=ON
+ -DFFT=FFTW3
+ -DENABLE_MANYBODY=ON
+ -DENABLE_MC=ON
+ -DENABLE_MEAM=ON
+ -DENABLE_MISC=ON
+ -DLAMMPS_XDR=ON #630444
+ -DENABLE_MOLECULE=ON
+ -DENABLE_PERI=ON
+ -DENABLE_QEQ=ON
+ -DENABLE_REAX=ON
+ -DENABLE_REPLICA=ON
+ -DENABLE_RIGID=ON
+ -DENABLE_SHOCK=ON
+ -DENABLE_SNAP=ON
+ -DENABLE_SRD=ON
+ -DENABLE_PYTHON=ON
+ -DENABLE_MPIIO=$(usex mpi)
+ -DENABLE_VORONOI=ON
+ -DENABLE_USER-ATC=ON
+ -DENABLE_USER-AWPMD=ON
+ -DENABLE_USER-CGDNA=ON
+ -DENABLE_USER-CGSDK=ON
+ -DENABLE_USER-COLVARS=ON
+ -DENABLE_USER-DIFFRACTION=ON
+ -DENABLE_USER-DPD=ON
+ -DENABLE_USER-DRUDE=ON
+ -DENABLE_USER-EFF=ON
+ -DENABLE_USER-FEP=ON
+ -DENABLE_USER-H5MD=$(usex mpi)
+ -DENABLE_USER-LB=$(usex mpi)
+ -DENABLE_USER-MANIFOLD=ON
+ -DENABLE_USER-MEAMC=ON
+ -DENABLE_USER-MGPT=ON
+ -DENABLE_USER-MISC=ON
+ -DENABLE_USER-MOLFILE=ON
+ -DENABLE_USER-NETCDF=$(usex netcdf)
+ -DENABLE_USER-PHONON=ON
+ -DENABLE_USER-QTB=ON
+ -DENABLE_USER-REAXC=ON
+ -DENABLE_USER-SMD=ON
+ -DENABLE_USER-SMTBQ=ON
+ -DENABLE_USER-SPH=ON
+ -DENABLE_USER-TALLY=ON
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins "${S}"/../potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2018-03-08 20:21 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2018-03-08 20:21 UTC (permalink / raw
To: gentoo-commits
commit: 066127633d4688dd155cb053aedaf332c936be6b
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Thu Mar 8 20:21:04 2018 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Thu Mar 8 20:21:04 2018 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=06612763
sci-physics/lammps: version bump
Package-Manager: Portage-2.3.19, Repoman-2.3.6
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20180308.ebuild | 131 ++++++++++++++++++++++++++++++
2 files changed, 132 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 47c93a0d4db..fd9838b6ba2 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -21,3 +21,4 @@ DIST lammps-9Jan17.tar.gz 109694893 BLAKE2B dc3af18d4a7db43d22bc4d2ed79366f7f1b7
DIST lammps-patch_17Jan2018.tar.gz 91721592 BLAKE2B d606a5fd699f3e7aaa777065532f778e96a5b21b88de3fcce69e79c4931fea233ed1ad68f56120865061623c6e33282b9f23f927a7a9820f8f824a241e5cd823 SHA512 533ada073882e9bfc6431db62c4899005983d9efbbb043bcb50b2b0a7af2b11c411bbcc6523b2ffbd5d46531b24573f4b98a07dc757bacbc2f27bb056d7956ff
DIST lammps-patch_1Sep2017.tar.gz 88751184 BLAKE2B 013ba612c67767c0e11b64f0b726a81c534ceb763ac9eba9a94ef9e02166278c28cb5937162b83f783b80fef6471b0e265e45245cc5594eaa2b27ec2d5f972cf SHA512 01b56484d6e9d03c0cdc2f8100f571d6e0a354b08bda7f22176744f2724e566443514e7d8abb0571d4207709155441644d4c6dbcf17ee2a8dc4f10cb6c3e8ac1
DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B 09d364b489d4402145b879ca40b290a4e33f39b6e5e4183bcccb09001002cb742917c8792f942a8b64bd992cde5c0f8dcd8b76506048f1392d33d1192aa4551d SHA512 8d4ac0f9cdcf4caa10bfb48129eec21cf31f7ce881b4cbd803c20fb638f7e55a1e645d314e172fe70eab473a4976c7f482e8c059e0c4e82527eb9438437ae146
+DIST lammps-patch_8Mar2018.tar.gz 91878683 BLAKE2B a4cf307769b1ac27c9cbe781a70f307d5275d2ccd4f6f77a2a21f00413ffa0af499577207afd23afd95ef6126071e8b779f6c52d50ff7117afb63161613c9f5b SHA512 57885d12e9e0ea9a6735cc2f7a2a8a9314dacbe9eaf5a46cb6d20fd7e2d0e8b0ebb3e24731eb750861973efe4d3cf0cf5a739cc9d51407f26bf3d556243c186f
diff --git a/sci-physics/lammps/lammps-20180308.ebuild b/sci-physics/lammps/lammps-20180308.ebuild
new file mode 100644
index 00000000000..1f8951205bb
--- /dev/null
+++ b/sci-physics/lammps/lammps-20180308.ebuild
@@ -0,0 +1,131 @@
+# Copyright 1999-2018 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_4,3_5,3_6} )
+
+inherit cmake-utils fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DBUILD_SHARED_LIBS=ON
+ -DENABLE_MPI=$(usex mpi)
+ -DENABLE_GPU=$(usex cuda)
+ -DENABLE_TESTING=$(usex test)
+ -DENABLE_ASPHERE=ON
+ -DENABLE_BODY=ON
+ -DENABLE_CLASS2=ON
+ -DENABLE_COLLOID=ON
+ -DENABLE_COMPRESS=ON
+ -DENABLE_CORESHELL=ON
+ -DENABLE_DIPOLE=ON
+ -DENABLE_GRANULAR=ON
+ -DENABLE_KSPACE=ON
+ -DFFT=FFTW3
+ -DENABLE_MANYBODY=ON
+ -DENABLE_MC=ON
+ -DENABLE_MEAM=ON
+ -DENABLE_MISC=ON
+ -DLAMMPS_XDR=ON #630444
+ -DENABLE_MOLECULE=ON
+ -DENABLE_PERI=ON
+ -DENABLE_QEQ=ON
+ -DENABLE_REAX=ON
+ -DENABLE_REPLICA=ON
+ -DENABLE_RIGID=ON
+ -DENABLE_SHOCK=ON
+ -DENABLE_SNAP=ON
+ -DENABLE_SRD=ON
+ -DENABLE_PYTHON=ON
+ -DENABLE_MPIIO=$(usex mpi)
+ -DENABLE_VORONOI=ON
+ -DENABLE_USER-ATC=ON
+ -DENABLE_USER-AWPMD=ON
+ -DENABLE_USER-CGDNA=ON
+ -DENABLE_USER-CGSDK=ON
+ -DENABLE_USER-COLVARS=ON
+ -DENABLE_USER-DIFFRACTION=ON
+ -DENABLE_USER-DPD=ON
+ -DENABLE_USER-DRUDE=ON
+ -DENABLE_USER-EFF=ON
+ -DENABLE_USER-FEP=ON
+ -DENABLE_USER-H5MD=$(usex mpi)
+ -DENABLE_USER-LB=$(usex mpi)
+ -DENABLE_USER-MANIFOLD=ON
+ -DENABLE_USER-MEAMC=ON
+ -DENABLE_USER-MGPT=ON
+ -DENABLE_USER-MISC=ON
+ -DENABLE_USER-MOLFILE=ON
+ -DENABLE_USER-NETCDF=$(usex netcdf)
+ -DENABLE_USER-PHONON=ON
+ -DENABLE_USER-QTB=ON
+ -DENABLE_USER-REAXC=ON
+ -DENABLE_USER-SMD=ON
+ -DENABLE_USER-SMTBQ=ON
+ -DENABLE_USER-SPH=ON
+ -DENABLE_USER-TALLY=ON
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins "${S}"/../potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2018-04-04 13:09 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2018-04-04 13:09 UTC (permalink / raw
To: gentoo-commits
commit: 25263e46edf232d6e1cfd3657a4f846b317dfc22
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Wed Apr 4 13:08:40 2018 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Wed Apr 4 13:09:27 2018 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=25263e46
sci-physics/lammps: version bump (for bug #630444)
Package-Manager: Portage-2.3.24, Repoman-2.3.6
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20180316.ebuild | 131 ++++++++++++++++++++++++++++++
2 files changed, 132 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index fd9838b6ba2..8d712bc43ca 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -18,6 +18,7 @@ DIST lammps-7Dec15.tar.gz 82168656 BLAKE2B c32a2f543ba5c9eaa96486f169228b4748d08
DIST lammps-8Dec15.tar.gz 90700099 BLAKE2B 04dcc39e9fb47e4033ba41eee7455d503c9c9616a11a2d8881948a2708bdde6c502ef1b7ab912c027c390bb40b927714de3fba91afdced0f26dfc0fa86775ed3 SHA512 0382683a363975bd27cc1722932cd5b8eda9933bc9c676af135d7e4d784acd93cf60b2b47a19dbb9e4a05e5cf2fbf6ccc2c2a914c39e92e87009e23ead2eb497
DIST lammps-9Dec15.tar.gz 82374079 BLAKE2B 8b5054b59162b98bf98980a8ece344af733ded5befe67404f03ed48c8191dbf640992b978f8fabcfb6936c876bf0e756aee68b4a50542dfc9c28f5d448846717 SHA512 a35ef5b3ee99162b96ce1a6d6cc3b0dc18bab7f693b824fc7ad52a7477234ed45c3081c399155725f1ebc3bd1bed312176f08d3fc807e7099d4b41b8f75fd11c
DIST lammps-9Jan17.tar.gz 109694893 BLAKE2B dc3af18d4a7db43d22bc4d2ed79366f7f1b73cd5f8951d289ce6ad0a572b14fd8f1bc946382afe9fc60bc46354beb374caf09d195419235e077bf9386259f194 SHA512 ea7c61bc9607ff0e4c0af5c1a668d400841dfc11c6d6aacc6131a48a5a0d11cb6857303626b583d5119e5257b5b338853c5afafcc3870bb30d5743ff5648348c
+DIST lammps-patch_16Mar2018.tar.gz 91908414 BLAKE2B 0d2363ba507765d439988be9f17390889539ecf22132145f5f5f5411c6c3bf097b278b24b005374e4b176efcfbd01edb48b55076bfa41403718ad14d3905e062 SHA512 2847f9ffa368b966cba4792ebe86ea38dfc1e147647e2b738753121a09689901cea7197d3d95fa69cd065cd1d30aa37cbeffcb78b62ec85d88cd9f3ab25e25c2
DIST lammps-patch_17Jan2018.tar.gz 91721592 BLAKE2B d606a5fd699f3e7aaa777065532f778e96a5b21b88de3fcce69e79c4931fea233ed1ad68f56120865061623c6e33282b9f23f927a7a9820f8f824a241e5cd823 SHA512 533ada073882e9bfc6431db62c4899005983d9efbbb043bcb50b2b0a7af2b11c411bbcc6523b2ffbd5d46531b24573f4b98a07dc757bacbc2f27bb056d7956ff
DIST lammps-patch_1Sep2017.tar.gz 88751184 BLAKE2B 013ba612c67767c0e11b64f0b726a81c534ceb763ac9eba9a94ef9e02166278c28cb5937162b83f783b80fef6471b0e265e45245cc5594eaa2b27ec2d5f972cf SHA512 01b56484d6e9d03c0cdc2f8100f571d6e0a354b08bda7f22176744f2724e566443514e7d8abb0571d4207709155441644d4c6dbcf17ee2a8dc4f10cb6c3e8ac1
DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B 09d364b489d4402145b879ca40b290a4e33f39b6e5e4183bcccb09001002cb742917c8792f942a8b64bd992cde5c0f8dcd8b76506048f1392d33d1192aa4551d SHA512 8d4ac0f9cdcf4caa10bfb48129eec21cf31f7ce881b4cbd803c20fb638f7e55a1e645d314e172fe70eab473a4976c7f482e8c059e0c4e82527eb9438437ae146
diff --git a/sci-physics/lammps/lammps-20180316.ebuild b/sci-physics/lammps/lammps-20180316.ebuild
new file mode 100644
index 00000000000..1f8951205bb
--- /dev/null
+++ b/sci-physics/lammps/lammps-20180316.ebuild
@@ -0,0 +1,131 @@
+# Copyright 1999-2018 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_4,3_5,3_6} )
+
+inherit cmake-utils fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DBUILD_SHARED_LIBS=ON
+ -DENABLE_MPI=$(usex mpi)
+ -DENABLE_GPU=$(usex cuda)
+ -DENABLE_TESTING=$(usex test)
+ -DENABLE_ASPHERE=ON
+ -DENABLE_BODY=ON
+ -DENABLE_CLASS2=ON
+ -DENABLE_COLLOID=ON
+ -DENABLE_COMPRESS=ON
+ -DENABLE_CORESHELL=ON
+ -DENABLE_DIPOLE=ON
+ -DENABLE_GRANULAR=ON
+ -DENABLE_KSPACE=ON
+ -DFFT=FFTW3
+ -DENABLE_MANYBODY=ON
+ -DENABLE_MC=ON
+ -DENABLE_MEAM=ON
+ -DENABLE_MISC=ON
+ -DLAMMPS_XDR=ON #630444
+ -DENABLE_MOLECULE=ON
+ -DENABLE_PERI=ON
+ -DENABLE_QEQ=ON
+ -DENABLE_REAX=ON
+ -DENABLE_REPLICA=ON
+ -DENABLE_RIGID=ON
+ -DENABLE_SHOCK=ON
+ -DENABLE_SNAP=ON
+ -DENABLE_SRD=ON
+ -DENABLE_PYTHON=ON
+ -DENABLE_MPIIO=$(usex mpi)
+ -DENABLE_VORONOI=ON
+ -DENABLE_USER-ATC=ON
+ -DENABLE_USER-AWPMD=ON
+ -DENABLE_USER-CGDNA=ON
+ -DENABLE_USER-CGSDK=ON
+ -DENABLE_USER-COLVARS=ON
+ -DENABLE_USER-DIFFRACTION=ON
+ -DENABLE_USER-DPD=ON
+ -DENABLE_USER-DRUDE=ON
+ -DENABLE_USER-EFF=ON
+ -DENABLE_USER-FEP=ON
+ -DENABLE_USER-H5MD=$(usex mpi)
+ -DENABLE_USER-LB=$(usex mpi)
+ -DENABLE_USER-MANIFOLD=ON
+ -DENABLE_USER-MEAMC=ON
+ -DENABLE_USER-MGPT=ON
+ -DENABLE_USER-MISC=ON
+ -DENABLE_USER-MOLFILE=ON
+ -DENABLE_USER-NETCDF=$(usex netcdf)
+ -DENABLE_USER-PHONON=ON
+ -DENABLE_USER-QTB=ON
+ -DENABLE_USER-REAXC=ON
+ -DENABLE_USER-SMD=ON
+ -DENABLE_USER-SMTBQ=ON
+ -DENABLE_USER-SPH=ON
+ -DENABLE_USER-TALLY=ON
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+
+ local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
+ insinto "/${LAMMPS_POTENTIALS}"
+ doins "${S}"/../potentials/*
+ echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
+ doenvd 99lammps
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2018-04-23 2:30 Aaron Bauman
0 siblings, 0 replies; 80+ messages in thread
From: Aaron Bauman @ 2018-04-23 2:30 UTC (permalink / raw
To: gentoo-commits
commit: 655130b44bf4366d79d005eb1439fd26fecae392
Author: Aaron Bauman <bman <AT> gentoo <DOT> org>
AuthorDate: Mon Apr 23 01:58:04 2018 +0000
Commit: Aaron Bauman <bman <AT> gentoo <DOT> org>
CommitDate: Mon Apr 23 02:30:27 2018 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=655130b4
sci-physics/lammps: amd64 stable wrt bug #630444
Bug: https://bugs.gentoo.org/630444
Package-Manager: Portage-2.3.31, Repoman-2.3.9
sci-physics/lammps/lammps-20180316.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20180316.ebuild b/sci-physics/lammps/lammps-20180316.ebuild
index 1f8951205bb..fe54f494394 100644
--- a/sci-physics/lammps/lammps-20180316.ebuild
+++ b/sci-physics/lammps/lammps-20180316.ebuild
@@ -21,7 +21,7 @@ SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="~amd64 ~x86"
+KEYWORDS="amd64 ~x86"
IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
DEPEND="
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2018-08-31 16:57 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2018-08-31 16:57 UTC (permalink / raw
To: gentoo-commits
commit: 3f21137b03748c2afae69ce6e304cb607301570a
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Fri Aug 31 16:55:01 2018 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Fri Aug 31 16:57:43 2018 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3f21137b
sci-physics/lammps: build lib in v20180822
Package-Manager: Portage-2.3.40, Repoman-2.3.9
sci-physics/lammps/lammps-20180822.ebuild | 1 +
1 file changed, 1 insertion(+)
diff --git a/sci-physics/lammps/lammps-20180822.ebuild b/sci-physics/lammps/lammps-20180822.ebuild
index dfa18f8327b..e9add1ea4dc 100644
--- a/sci-physics/lammps/lammps-20180822.ebuild
+++ b/sci-physics/lammps/lammps-20180822.ebuild
@@ -55,6 +55,7 @@ src_configure() {
-DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
-DBUILD_SHARED_LIBS=ON
-DBUILD_MPI=$(usex mpi)
+ -DBUILD_LIB=ON
-DPKG_GPU=$(usex cuda)
-DGPU_API=CUDA
-DENABLE_TESTING=$(usex test)
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2018-12-12 15:02 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2018-12-12 15:02 UTC (permalink / raw
To: gentoo-commits
commit: 3a5bbf86514d6eb517273f02365cca3025b89e8a
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Wed Dec 12 15:00:52 2018 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Wed Dec 12 15:01:52 2018 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3a5bbf86
sci-physics/lammps: version bump
Package-Manager: Portage-2.3.49, Repoman-2.3.11
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>
sci-physics/lammps/Manifest | 2 +
sci-physics/lammps/lammps-20181212.ebuild | 130 ++++++++++++++++++++++++++++++
2 files changed, 132 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 9a6f88c64df..d3c00629fb0 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -18,9 +18,11 @@ DIST lammps-7Dec15.tar.gz 82168656 BLAKE2B c32a2f543ba5c9eaa96486f169228b4748d08
DIST lammps-8Dec15.tar.gz 90700099 BLAKE2B 04dcc39e9fb47e4033ba41eee7455d503c9c9616a11a2d8881948a2708bdde6c502ef1b7ab912c027c390bb40b927714de3fba91afdced0f26dfc0fa86775ed3 SHA512 0382683a363975bd27cc1722932cd5b8eda9933bc9c676af135d7e4d784acd93cf60b2b47a19dbb9e4a05e5cf2fbf6ccc2c2a914c39e92e87009e23ead2eb497
DIST lammps-9Dec15.tar.gz 82374079 BLAKE2B 8b5054b59162b98bf98980a8ece344af733ded5befe67404f03ed48c8191dbf640992b978f8fabcfb6936c876bf0e756aee68b4a50542dfc9c28f5d448846717 SHA512 a35ef5b3ee99162b96ce1a6d6cc3b0dc18bab7f693b824fc7ad52a7477234ed45c3081c399155725f1ebc3bd1bed312176f08d3fc807e7099d4b41b8f75fd11c
DIST lammps-9Jan17.tar.gz 109694893 BLAKE2B dc3af18d4a7db43d22bc4d2ed79366f7f1b73cd5f8951d289ce6ad0a572b14fd8f1bc946382afe9fc60bc46354beb374caf09d195419235e077bf9386259f194 SHA512 ea7c61bc9607ff0e4c0af5c1a668d400841dfc11c6d6aacc6131a48a5a0d11cb6857303626b583d5119e5257b5b338853c5afafcc3870bb30d5743ff5648348c
+DIST lammps-patch_12Dec2018.tar.gz 114619148 BLAKE2B 089e23681e46868d09991ca6525850838100aa74ce8796f3af602c76b74fd55618c91610193cfc22c1201e5417f11998f924642961b62824c0271e208f87b286 SHA512 4794fc9bed7974ec33d54b2843f17b29c61a63f91f76c75bec7f00f6f174901f703130564977f8cf7fa9274e7febe096878dc0fa84d65469a5eb8f9b17b58a5e
DIST lammps-patch_16Mar2018.tar.gz 91908414 BLAKE2B 0d2363ba507765d439988be9f17390889539ecf22132145f5f5f5411c6c3bf097b278b24b005374e4b176efcfbd01edb48b55076bfa41403718ad14d3905e062 SHA512 2847f9ffa368b966cba4792ebe86ea38dfc1e147647e2b738753121a09689901cea7197d3d95fa69cd065cd1d30aa37cbeffcb78b62ec85d88cd9f3ab25e25c2
DIST lammps-patch_17Jan2018.tar.gz 91721592 BLAKE2B d606a5fd699f3e7aaa777065532f778e96a5b21b88de3fcce69e79c4931fea233ed1ad68f56120865061623c6e33282b9f23f927a7a9820f8f824a241e5cd823 SHA512 533ada073882e9bfc6431db62c4899005983d9efbbb043bcb50b2b0a7af2b11c411bbcc6523b2ffbd5d46531b24573f4b98a07dc757bacbc2f27bb056d7956ff
DIST lammps-patch_1Sep2017.tar.gz 88751184 BLAKE2B 013ba612c67767c0e11b64f0b726a81c534ceb763ac9eba9a94ef9e02166278c28cb5937162b83f783b80fef6471b0e265e45245cc5594eaa2b27ec2d5f972cf SHA512 01b56484d6e9d03c0cdc2f8100f571d6e0a354b08bda7f22176744f2724e566443514e7d8abb0571d4207709155441644d4c6dbcf17ee2a8dc4f10cb6c3e8ac1
DIST lammps-patch_22Aug2018.tar.gz 108761265 BLAKE2B fc509ccd8f5fda9fea9cf7f54b888df235b5d499a0aa3eee24bba81d35c95355cfc72ebb60f32a4adb879c0ab176659ebe634f9bbaeefd54ffc0d02329054f9f SHA512 bb1c11ef9c287b101b9f3483d6b90e55dc69a048529e5076f6f7d46e54802d0d75efc899865d462f9dd76937089e1080a126c1dc4bbb2648eda91cb38ba142b0
DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B 09d364b489d4402145b879ca40b290a4e33f39b6e5e4183bcccb09001002cb742917c8792f942a8b64bd992cde5c0f8dcd8b76506048f1392d33d1192aa4551d SHA512 8d4ac0f9cdcf4caa10bfb48129eec21cf31f7ce881b4cbd803c20fb638f7e55a1e645d314e172fe70eab473a4976c7f482e8c059e0c4e82527eb9438437ae146
DIST lammps-patch_8Mar2018.tar.gz 91878683 BLAKE2B a4cf307769b1ac27c9cbe781a70f307d5275d2ccd4f6f77a2a21f00413ffa0af499577207afd23afd95ef6126071e8b779f6c52d50ff7117afb63161613c9f5b SHA512 57885d12e9e0ea9a6735cc2f7a2a8a9314dacbe9eaf5a46cb6d20fd7e2d0e8b0ebb3e24731eb750861973efe4d3cf0cf5a739cc9d51407f26bf3d556243c186f
+DIST lammps-testing-7869c75cac38cb8a3d2ef7747ea12ec5812f5151.tar.gz 54374284 BLAKE2B a223ef3926540660ce28fd2673667840002f6bfbbd5565deb9fb01b994085eb4d6cd24807fab49117a1b328f151d1511b7aa4d2fcdd443d20927112b83d029f0 SHA512 c996f7109d6467ae8e6a8c187485afb7c55b6dcf2b2e7003a8edd271e7f7dfe275079fbb0d680455628c8fd2eb87640284e8a92ffe095fcb398133be587af57a
diff --git a/sci-physics/lammps/lammps-20181212.ebuild b/sci-physics/lammps/lammps-20181212.ebuild
new file mode 100644
index 00000000000..734fe08dbb6
--- /dev/null
+++ b/sci-physics/lammps/lammps-20181212.ebuild
@@ -0,0 +1,130 @@
+# Copyright 1999-2018 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_4,3_5,3_6} )
+
+inherit cmake-utils fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="http://lammps.sandia.gov/"
+TCOMMIT=7869c75cac38cb8a3d2ef7747ea12ec5812f5151
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz
+ test? ( https://github.com/lammps/lammps-testing/archive/${TCOMMIT}.tar.gz -> ${PN}-testing-${TCOMMIT}.tar.gz )"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DBUILD_LIB=ON
+ -DPKG_GPU=$(usex cuda)
+ -DGPU_API=CUDA
+ -DENABLE_TESTING=$(usex test)
+ -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REAX=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SNAP=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=ON
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ -DPKG_USER-ATC=ON
+ -DPKG_USER-AWPMD=ON
+ -DPKG_USER-CGDNA=ON
+ -DPKG_USER-CGSDK=ON
+ -DPKG_USER-COLVARS=ON
+ -DPKG_USER-DIFFRACTION=ON
+ -DPKG_USER-DPD=ON
+ -DPKG_USER-DRUDE=ON
+ -DPKG_USER-EFF=ON
+ -DPKG_USER-FEP=ON
+ -DPKG_USER-H5MD=$(usex mpi)
+ -DPKG_USER-LB=$(usex mpi)
+ -DPKG_USER-MANIFOLD=ON
+ -DPKG_USER-MEAMC=ON
+ -DPKG_USER-MGPT=ON
+ -DPKG_USER-MISC=ON
+ -DPKG_USER-MOLFILE=ON
+ -DPKG_USER-NETCDF=$(usex netcdf)
+ -DPKG_USER-PHONON=ON
+ -DPKG_USER-QTB=ON
+ -DPKG_USER-REAXC=ON
+ -DPKG_USER-SMD=ON
+ -DPKG_USER-SMTBQ=ON
+ -DPKG_USER-SPH=ON
+ -DPKG_USER-TALLY=ON
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2019-05-05 1:02 Aaron Bauman
0 siblings, 0 replies; 80+ messages in thread
From: Aaron Bauman @ 2019-05-05 1:02 UTC (permalink / raw
To: gentoo-commits
commit: c80b50b9a5c93f648b914432f4abad6fe24cb433
Author: Michael Mair-Keimberger <m.mairkeimberger <AT> gmail <DOT> com>
AuthorDate: Sat May 4 07:40:36 2019 +0000
Commit: Aaron Bauman <bman <AT> gentoo <DOT> org>
CommitDate: Sun May 5 01:02:05 2019 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=c80b50b9
sci-physics/lammps: use HTTPS
Signed-off-by: Michael Mair-Keimberger <m.mairkeimberger <AT> gmail.com>
Closes: https://github.com/gentoo/gentoo/pull/11893
Signed-off-by: Aaron Bauman <bman <AT> gentoo.org>
sci-physics/lammps/lammps-20150210.ebuild | 6 +++---
sci-physics/lammps/lammps-20150515-r1.ebuild | 6 +++---
sci-physics/lammps/lammps-20150515.ebuild | 6 +++---
sci-physics/lammps/lammps-20150810.ebuild | 6 +++---
sci-physics/lammps/lammps-20151106.ebuild | 4 ++--
sci-physics/lammps/lammps-20151120.ebuild | 4 ++--
sci-physics/lammps/lammps-20151207.ebuild | 4 ++--
sci-physics/lammps/lammps-20151208.ebuild | 4 ++--
sci-physics/lammps/lammps-20151209.ebuild | 4 ++--
sci-physics/lammps/lammps-20151211.ebuild | 4 ++--
sci-physics/lammps/lammps-20160115.ebuild | 4 ++--
sci-physics/lammps/lammps-20160122.ebuild | 4 ++--
sci-physics/lammps/lammps-20160216.ebuild | 4 ++--
sci-physics/lammps/lammps-20160301.ebuild | 4 ++--
sci-physics/lammps/lammps-20160310.ebuild | 4 ++--
sci-physics/lammps/lammps-20160314.ebuild | 4 ++--
sci-physics/lammps/lammps-20160321.ebuild | 4 ++--
sci-physics/lammps/lammps-20160407.ebuild | 4 ++--
sci-physics/lammps/lammps-20160730.ebuild | 4 ++--
sci-physics/lammps/lammps-20170109.ebuild | 4 ++--
sci-physics/lammps/lammps-20170706.ebuild | 4 ++--
sci-physics/lammps/lammps-20170901-r1.ebuild | 2 +-
sci-physics/lammps/lammps-20170901.ebuild | 2 +-
sci-physics/lammps/lammps-20180117.ebuild | 2 +-
sci-physics/lammps/lammps-20180222.ebuild | 2 +-
sci-physics/lammps/lammps-20180308.ebuild | 2 +-
sci-physics/lammps/lammps-20180316.ebuild | 2 +-
sci-physics/lammps/lammps-20180822.ebuild | 2 +-
sci-physics/lammps/lammps-20181212.ebuild | 2 +-
29 files changed, 54 insertions(+), 54 deletions(-)
diff --git a/sci-physics/lammps/lammps-20150210.ebuild b/sci-physics/lammps/lammps-20150210.ebuild
index f38c9d86e0f..78352de60d5 100644
--- a/sci-physics/lammps/lammps-20150210.ebuild
+++ b/sci-physics/lammps/lammps-20150210.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2015 Gentoo Foundation
+# Copyright 1999-2019 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
@@ -39,8 +39,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20150515-r1.ebuild b/sci-physics/lammps/lammps-20150515-r1.ebuild
index a44974b9a66..aefd583848e 100644
--- a/sci-physics/lammps/lammps-20150515-r1.ebuild
+++ b/sci-physics/lammps/lammps-20150515-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2015 Gentoo Foundation
+# Copyright 1999-2019 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
@@ -41,8 +41,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20150515.ebuild b/sci-physics/lammps/lammps-20150515.ebuild
index 0814be15b54..7f166b3bbb6 100644
--- a/sci-physics/lammps/lammps-20150515.ebuild
+++ b/sci-physics/lammps/lammps-20150515.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2015 Gentoo Foundation
+# Copyright 1999-2019 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
@@ -41,8 +41,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20150810.ebuild b/sci-physics/lammps/lammps-20150810.ebuild
index 313a8bd28a3..6fd889c9040 100644
--- a/sci-physics/lammps/lammps-20150810.ebuild
+++ b/sci-physics/lammps/lammps-20150810.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2015 Gentoo Foundation
+# Copyright 1999-2019 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
@@ -41,8 +41,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20151106.ebuild b/sci-physics/lammps/lammps-20151106.ebuild
index 53727b3aef5..c3babf7669c 100644
--- a/sci-physics/lammps/lammps-20151106.ebuild
+++ b/sci-physics/lammps/lammps-20151106.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20151120.ebuild b/sci-physics/lammps/lammps-20151120.ebuild
index 53727b3aef5..c3babf7669c 100644
--- a/sci-physics/lammps/lammps-20151120.ebuild
+++ b/sci-physics/lammps/lammps-20151120.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20151207.ebuild b/sci-physics/lammps/lammps-20151207.ebuild
index 3096f4492a3..65c5882cce5 100644
--- a/sci-physics/lammps/lammps-20151207.ebuild
+++ b/sci-physics/lammps/lammps-20151207.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20151208.ebuild b/sci-physics/lammps/lammps-20151208.ebuild
index 51293ca7157..214321dbf10 100644
--- a/sci-physics/lammps/lammps-20151208.ebuild
+++ b/sci-physics/lammps/lammps-20151208.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20151209.ebuild b/sci-physics/lammps/lammps-20151209.ebuild
index 51293ca7157..214321dbf10 100644
--- a/sci-physics/lammps/lammps-20151209.ebuild
+++ b/sci-physics/lammps/lammps-20151209.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20151211.ebuild b/sci-physics/lammps/lammps-20151211.ebuild
index 51293ca7157..214321dbf10 100644
--- a/sci-physics/lammps/lammps-20151211.ebuild
+++ b/sci-physics/lammps/lammps-20151211.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20160115.ebuild b/sci-physics/lammps/lammps-20160115.ebuild
index 96e27137cf4..c03e8b7c23f 100644
--- a/sci-physics/lammps/lammps-20160115.ebuild
+++ b/sci-physics/lammps/lammps-20160115.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20160122.ebuild b/sci-physics/lammps/lammps-20160122.ebuild
index 96e27137cf4..c03e8b7c23f 100644
--- a/sci-physics/lammps/lammps-20160122.ebuild
+++ b/sci-physics/lammps/lammps-20160122.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20160216.ebuild b/sci-physics/lammps/lammps-20160216.ebuild
index c56da31e2bd..1a3008024a9 100644
--- a/sci-physics/lammps/lammps-20160216.ebuild
+++ b/sci-physics/lammps/lammps-20160216.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20160301.ebuild b/sci-physics/lammps/lammps-20160301.ebuild
index c56da31e2bd..1a3008024a9 100644
--- a/sci-physics/lammps/lammps-20160301.ebuild
+++ b/sci-physics/lammps/lammps-20160301.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20160310.ebuild b/sci-physics/lammps/lammps-20160310.ebuild
index c56da31e2bd..1a3008024a9 100644
--- a/sci-physics/lammps/lammps-20160310.ebuild
+++ b/sci-physics/lammps/lammps-20160310.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20160314.ebuild b/sci-physics/lammps/lammps-20160314.ebuild
index c56da31e2bd..1a3008024a9 100644
--- a/sci-physics/lammps/lammps-20160314.ebuild
+++ b/sci-physics/lammps/lammps-20160314.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20160321.ebuild b/sci-physics/lammps/lammps-20160321.ebuild
index c56da31e2bd..1a3008024a9 100644
--- a/sci-physics/lammps/lammps-20160321.ebuild
+++ b/sci-physics/lammps/lammps-20160321.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20160407.ebuild b/sci-physics/lammps/lammps-20160407.ebuild
index a034bc2bfa1..2b9ec4977e7 100644
--- a/sci-physics/lammps/lammps-20160407.ebuild
+++ b/sci-physics/lammps/lammps-20160407.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20160730.ebuild b/sci-physics/lammps/lammps-20160730.ebuild
index 7793faea36e..bc2824347c8 100644
--- a/sci-physics/lammps/lammps-20160730.ebuild
+++ b/sci-physics/lammps/lammps-20160730.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20170109.ebuild b/sci-physics/lammps/lammps-20170109.ebuild
index 20807642c43..0d0041e93c1 100644
--- a/sci-physics/lammps/lammps-20170109.ebuild
+++ b/sci-physics/lammps/lammps-20170109.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20170706.ebuild b/sci-physics/lammps/lammps-20170706.ebuild
index 53c59ea3f63..411bd23afe1 100644
--- a/sci-physics/lammps/lammps-20170706.ebuild
+++ b/sci-physics/lammps/lammps-20170706.ebuild
@@ -15,8 +15,8 @@ convert_month() {
MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
-SRC_URI="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
diff --git a/sci-physics/lammps/lammps-20170901-r1.ebuild b/sci-physics/lammps/lammps-20170901-r1.ebuild
index 893b1c6608c..382491df999 100644
--- a/sci-physics/lammps/lammps-20170901-r1.ebuild
+++ b/sci-physics/lammps/lammps-20170901-r1.ebuild
@@ -16,7 +16,7 @@ MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
MY_P="${PN}-${MY_PV}"
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
+HOMEPAGE="https://lammps.sandia.gov/"
SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
LICENSE="GPL-2"
diff --git a/sci-physics/lammps/lammps-20170901.ebuild b/sci-physics/lammps/lammps-20170901.ebuild
index bcd49e9a24b..a7659ffea52 100644
--- a/sci-physics/lammps/lammps-20170901.ebuild
+++ b/sci-physics/lammps/lammps-20170901.ebuild
@@ -16,7 +16,7 @@ MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
MY_P="${PN}-${MY_PV}"
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
+HOMEPAGE="https://lammps.sandia.gov/"
SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
LICENSE="GPL-2"
diff --git a/sci-physics/lammps/lammps-20180117.ebuild b/sci-physics/lammps/lammps-20180117.ebuild
index 893b1c6608c..382491df999 100644
--- a/sci-physics/lammps/lammps-20180117.ebuild
+++ b/sci-physics/lammps/lammps-20180117.ebuild
@@ -16,7 +16,7 @@ MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
MY_P="${PN}-${MY_PV}"
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
+HOMEPAGE="https://lammps.sandia.gov/"
SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
LICENSE="GPL-2"
diff --git a/sci-physics/lammps/lammps-20180222.ebuild b/sci-physics/lammps/lammps-20180222.ebuild
index 893b1c6608c..382491df999 100644
--- a/sci-physics/lammps/lammps-20180222.ebuild
+++ b/sci-physics/lammps/lammps-20180222.ebuild
@@ -16,7 +16,7 @@ MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
MY_P="${PN}-${MY_PV}"
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
+HOMEPAGE="https://lammps.sandia.gov/"
SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
LICENSE="GPL-2"
diff --git a/sci-physics/lammps/lammps-20180308.ebuild b/sci-physics/lammps/lammps-20180308.ebuild
index 893b1c6608c..382491df999 100644
--- a/sci-physics/lammps/lammps-20180308.ebuild
+++ b/sci-physics/lammps/lammps-20180308.ebuild
@@ -16,7 +16,7 @@ MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
MY_P="${PN}-${MY_PV}"
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
+HOMEPAGE="https://lammps.sandia.gov/"
SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
LICENSE="GPL-2"
diff --git a/sci-physics/lammps/lammps-20180316.ebuild b/sci-physics/lammps/lammps-20180316.ebuild
index 9cb77321304..1a8c1528db2 100644
--- a/sci-physics/lammps/lammps-20180316.ebuild
+++ b/sci-physics/lammps/lammps-20180316.ebuild
@@ -16,7 +16,7 @@ MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
MY_P="${PN}-${MY_PV}"
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
+HOMEPAGE="https://lammps.sandia.gov/"
SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
LICENSE="GPL-2"
diff --git a/sci-physics/lammps/lammps-20180822.ebuild b/sci-physics/lammps/lammps-20180822.ebuild
index f6935c4ae4d..700ba0f23ec 100644
--- a/sci-physics/lammps/lammps-20180822.ebuild
+++ b/sci-physics/lammps/lammps-20180822.ebuild
@@ -16,7 +16,7 @@ MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
MY_P="${PN}-${MY_PV}"
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
+HOMEPAGE="https://lammps.sandia.gov/"
SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
LICENSE="GPL-2"
diff --git a/sci-physics/lammps/lammps-20181212.ebuild b/sci-physics/lammps/lammps-20181212.ebuild
index c3fa3e00d41..488ab386514 100644
--- a/sci-physics/lammps/lammps-20181212.ebuild
+++ b/sci-physics/lammps/lammps-20181212.ebuild
@@ -16,7 +16,7 @@ MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
MY_P="${PN}-${MY_PV}"
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="http://lammps.sandia.gov/"
+HOMEPAGE="https://lammps.sandia.gov/"
TCOMMIT=7869c75cac38cb8a3d2ef7747ea12ec5812f5151
SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz
test? ( https://github.com/lammps/lammps-testing/archive/${TCOMMIT}.tar.gz -> ${PN}-testing-${TCOMMIT}.tar.gz )"
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2019-06-06 2:08 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2019-06-06 2:08 UTC (permalink / raw
To: gentoo-commits
commit: 8755577391662880596e55760860d7ffe65318a5
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Thu Jun 6 02:07:24 2019 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Thu Jun 6 02:07:52 2019 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=87555773
sci-physics/lammps: version bump
Package-Manager: Portage-2.3.62, Repoman-2.3.11
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>
sci-physics/lammps/Manifest | 2 +
sci-physics/lammps/lammps-20190605.ebuild | 130 ++++++++++++++++++++++++++++++
2 files changed, 132 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index d3c00629fb0..58298d54c4c 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -24,5 +24,7 @@ DIST lammps-patch_17Jan2018.tar.gz 91721592 BLAKE2B d606a5fd699f3e7aaa777065532f
DIST lammps-patch_1Sep2017.tar.gz 88751184 BLAKE2B 013ba612c67767c0e11b64f0b726a81c534ceb763ac9eba9a94ef9e02166278c28cb5937162b83f783b80fef6471b0e265e45245cc5594eaa2b27ec2d5f972cf SHA512 01b56484d6e9d03c0cdc2f8100f571d6e0a354b08bda7f22176744f2724e566443514e7d8abb0571d4207709155441644d4c6dbcf17ee2a8dc4f10cb6c3e8ac1
DIST lammps-patch_22Aug2018.tar.gz 108761265 BLAKE2B fc509ccd8f5fda9fea9cf7f54b888df235b5d499a0aa3eee24bba81d35c95355cfc72ebb60f32a4adb879c0ab176659ebe634f9bbaeefd54ffc0d02329054f9f SHA512 bb1c11ef9c287b101b9f3483d6b90e55dc69a048529e5076f6f7d46e54802d0d75efc899865d462f9dd76937089e1080a126c1dc4bbb2648eda91cb38ba142b0
DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B 09d364b489d4402145b879ca40b290a4e33f39b6e5e4183bcccb09001002cb742917c8792f942a8b64bd992cde5c0f8dcd8b76506048f1392d33d1192aa4551d SHA512 8d4ac0f9cdcf4caa10bfb48129eec21cf31f7ce881b4cbd803c20fb638f7e55a1e645d314e172fe70eab473a4976c7f482e8c059e0c4e82527eb9438437ae146
+DIST lammps-patch_5Jun2019.tar.gz 106437193 BLAKE2B ce2a89f58fcdc29fbfc6d5e8769e36402569e93182a19835a0482b228ae9f568c1b56d2fc5eb3dac8e94a1289b430279d88c15284e07b5f62049aaf86cca29d3 SHA512 d72a5de3068a902cd8a825c97cd071331d5e3c16429531809178c43930b363f6549bd6802b552c2667e8882f7f21c90bd815072deb5ac19c8687060c796e58b4
DIST lammps-patch_8Mar2018.tar.gz 91878683 BLAKE2B a4cf307769b1ac27c9cbe781a70f307d5275d2ccd4f6f77a2a21f00413ffa0af499577207afd23afd95ef6126071e8b779f6c52d50ff7117afb63161613c9f5b SHA512 57885d12e9e0ea9a6735cc2f7a2a8a9314dacbe9eaf5a46cb6d20fd7e2d0e8b0ebb3e24731eb750861973efe4d3cf0cf5a739cc9d51407f26bf3d556243c186f
DIST lammps-testing-7869c75cac38cb8a3d2ef7747ea12ec5812f5151.tar.gz 54374284 BLAKE2B a223ef3926540660ce28fd2673667840002f6bfbbd5565deb9fb01b994085eb4d6cd24807fab49117a1b328f151d1511b7aa4d2fcdd443d20927112b83d029f0 SHA512 c996f7109d6467ae8e6a8c187485afb7c55b6dcf2b2e7003a8edd271e7f7dfe275079fbb0d680455628c8fd2eb87640284e8a92ffe095fcb398133be587af57a
+DIST lammps-testing-827be7af84ca100d394ea1cf6d3bc49f6a8eef92.tar.gz 55706643 BLAKE2B 7f2753759e1048ee9af58f1b210fe42972cc40b6df3ab5495f66bcfd10f4818f6e2c4e27f759d6ca302024531849286c4709a869984bea3d385cb44412d4d668 SHA512 bfffb0501b7b254dfc2cfcd12945b14766c1addf680d1140a78116b97a2a70795244f3a5a439aaf69ae014e35c454a48e028ca8aa65179e5da5039d6f1676e02
diff --git a/sci-physics/lammps/lammps-20190605.ebuild b/sci-physics/lammps/lammps-20190605.ebuild
new file mode 100644
index 00000000000..81ec8546eee
--- /dev/null
+++ b/sci-physics/lammps/lammps-20190605.ebuild
@@ -0,0 +1,130 @@
+# Copyright 1999-2019 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_5,3_6} )
+
+inherit cmake-utils fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="https://lammps.sandia.gov/"
+TCOMMIT=827be7af84ca100d394ea1cf6d3bc49f6a8eef92
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz
+ test? ( https://github.com/lammps/lammps-testing/archive/${TCOMMIT}.tar.gz -> ${PN}-testing-${TCOMMIT}.tar.gz )"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DBUILD_LIB=ON
+ -DPKG_GPU=$(usex cuda)
+ -DGPU_API=CUDA
+ -DENABLE_TESTING=$(usex test)
+ -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REAX=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SNAP=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=ON
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ -DPKG_USER-ATC=ON
+ -DPKG_USER-AWPMD=ON
+ -DPKG_USER-CGDNA=ON
+ -DPKG_USER-CGSDK=ON
+ -DPKG_USER-COLVARS=ON
+ -DPKG_USER-DIFFRACTION=ON
+ -DPKG_USER-DPD=ON
+ -DPKG_USER-DRUDE=ON
+ -DPKG_USER-EFF=ON
+ -DPKG_USER-FEP=ON
+ -DPKG_USER-H5MD=$(usex mpi)
+ -DPKG_USER-LB=$(usex mpi)
+ -DPKG_USER-MANIFOLD=ON
+ -DPKG_USER-MEAMC=ON
+ -DPKG_USER-MGPT=ON
+ -DPKG_USER-MISC=ON
+ -DPKG_USER-MOLFILE=ON
+ -DPKG_USER-NETCDF=$(usex netcdf)
+ -DPKG_USER-PHONON=ON
+ -DPKG_USER-QTB=ON
+ -DPKG_USER-REAXC=ON
+ -DPKG_USER-SMD=ON
+ -DPKG_USER-SMTBQ=ON
+ -DPKG_USER-SPH=ON
+ -DPKG_USER-TALLY=ON
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2019-08-15 22:06 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2019-08-15 22:06 UTC (permalink / raw
To: gentoo-commits
commit: 16bfde13bae2672faa61b818d4b951024d738f1e
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Thu Aug 15 22:06:07 2019 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Thu Aug 15 22:06:44 2019 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=16bfde13
sci-physics/lammps: version bump
Package-Manager: Portage-2.3.69, Repoman-2.3.16
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>
sci-physics/lammps/Manifest | 2 +
sci-physics/lammps/lammps-20190807.ebuild | 130 ++++++++++++++++++++++++++++++
2 files changed, 132 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 58298d54c4c..0fdb91cca31 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -25,6 +25,8 @@ DIST lammps-patch_1Sep2017.tar.gz 88751184 BLAKE2B 013ba612c67767c0e11b64f0b726a
DIST lammps-patch_22Aug2018.tar.gz 108761265 BLAKE2B fc509ccd8f5fda9fea9cf7f54b888df235b5d499a0aa3eee24bba81d35c95355cfc72ebb60f32a4adb879c0ab176659ebe634f9bbaeefd54ffc0d02329054f9f SHA512 bb1c11ef9c287b101b9f3483d6b90e55dc69a048529e5076f6f7d46e54802d0d75efc899865d462f9dd76937089e1080a126c1dc4bbb2648eda91cb38ba142b0
DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B 09d364b489d4402145b879ca40b290a4e33f39b6e5e4183bcccb09001002cb742917c8792f942a8b64bd992cde5c0f8dcd8b76506048f1392d33d1192aa4551d SHA512 8d4ac0f9cdcf4caa10bfb48129eec21cf31f7ce881b4cbd803c20fb638f7e55a1e645d314e172fe70eab473a4976c7f482e8c059e0c4e82527eb9438437ae146
DIST lammps-patch_5Jun2019.tar.gz 106437193 BLAKE2B ce2a89f58fcdc29fbfc6d5e8769e36402569e93182a19835a0482b228ae9f568c1b56d2fc5eb3dac8e94a1289b430279d88c15284e07b5f62049aaf86cca29d3 SHA512 d72a5de3068a902cd8a825c97cd071331d5e3c16429531809178c43930b363f6549bd6802b552c2667e8882f7f21c90bd815072deb5ac19c8687060c796e58b4
+DIST lammps-patch_7Aug2019.tar.gz 105303933 BLAKE2B 8609251a919a88da64f2c0578414567141f128bbce3a447be09a99fb1f96620c15db29b4a312afc536f60237f3010a0753dfefa09d0bdfb3222b8f1491995c70 SHA512 61fff23c90a0f9029363cb90ff972e7e97b0f3be6a8153263b6be4f11960603af7f6c8b26a76b8bdcf25009c68a7a7fab3405a3f47b923695798a60723694001
DIST lammps-patch_8Mar2018.tar.gz 91878683 BLAKE2B a4cf307769b1ac27c9cbe781a70f307d5275d2ccd4f6f77a2a21f00413ffa0af499577207afd23afd95ef6126071e8b779f6c52d50ff7117afb63161613c9f5b SHA512 57885d12e9e0ea9a6735cc2f7a2a8a9314dacbe9eaf5a46cb6d20fd7e2d0e8b0ebb3e24731eb750861973efe4d3cf0cf5a739cc9d51407f26bf3d556243c186f
DIST lammps-testing-7869c75cac38cb8a3d2ef7747ea12ec5812f5151.tar.gz 54374284 BLAKE2B a223ef3926540660ce28fd2673667840002f6bfbbd5565deb9fb01b994085eb4d6cd24807fab49117a1b328f151d1511b7aa4d2fcdd443d20927112b83d029f0 SHA512 c996f7109d6467ae8e6a8c187485afb7c55b6dcf2b2e7003a8edd271e7f7dfe275079fbb0d680455628c8fd2eb87640284e8a92ffe095fcb398133be587af57a
DIST lammps-testing-827be7af84ca100d394ea1cf6d3bc49f6a8eef92.tar.gz 55706643 BLAKE2B 7f2753759e1048ee9af58f1b210fe42972cc40b6df3ab5495f66bcfd10f4818f6e2c4e27f759d6ca302024531849286c4709a869984bea3d385cb44412d4d668 SHA512 bfffb0501b7b254dfc2cfcd12945b14766c1addf680d1140a78116b97a2a70795244f3a5a439aaf69ae014e35c454a48e028ca8aa65179e5da5039d6f1676e02
+DIST lammps-testing-d0394a77fa2b4b2d545a73ea092cf6de7616aac8.tar.gz 55715042 BLAKE2B 326f0357b555c030f667c502fd2c2330aa588c4a1224434ef30637ad8c6be49a5b8ee58cbc525b874f665903cf21494b52403c3a53ec0898a8cf81906c614833 SHA512 4a980578ce584b5b9334b4177f4f9188f00ac50ca916ce63a4d2ef034a4fa218366a8f32cc7dc29dc99e6b01e40cf8c8bbf15566840fe07fc5c6c2e8c55ece93
diff --git a/sci-physics/lammps/lammps-20190807.ebuild b/sci-physics/lammps/lammps-20190807.ebuild
new file mode 100644
index 00000000000..b51ab042a35
--- /dev/null
+++ b/sci-physics/lammps/lammps-20190807.ebuild
@@ -0,0 +1,130 @@
+# Copyright 1999-2019 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_5,3_6} )
+
+inherit cmake-utils fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="https://lammps.sandia.gov/"
+TCOMMIT=d0394a77fa2b4b2d545a73ea092cf6de7616aac8
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz
+ test? ( https://github.com/lammps/lammps-testing/archive/${TCOMMIT}.tar.gz -> ${PN}-testing-${TCOMMIT}.tar.gz )"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DBUILD_LIB=ON
+ -DPKG_GPU=$(usex cuda)
+ -DGPU_API=CUDA
+ -DENABLE_TESTING=$(usex test)
+ -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REAX=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SNAP=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=ON
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ -DPKG_USER-ATC=ON
+ -DPKG_USER-AWPMD=ON
+ -DPKG_USER-CGDNA=ON
+ -DPKG_USER-CGSDK=ON
+ -DPKG_USER-COLVARS=ON
+ -DPKG_USER-DIFFRACTION=ON
+ -DPKG_USER-DPD=ON
+ -DPKG_USER-DRUDE=ON
+ -DPKG_USER-EFF=ON
+ -DPKG_USER-FEP=ON
+ -DPKG_USER-H5MD=$(usex mpi)
+ -DPKG_USER-LB=$(usex mpi)
+ -DPKG_USER-MANIFOLD=ON
+ -DPKG_USER-MEAMC=ON
+ -DPKG_USER-MGPT=ON
+ -DPKG_USER-MISC=ON
+ -DPKG_USER-MOLFILE=ON
+ -DPKG_USER-NETCDF=$(usex netcdf)
+ -DPKG_USER-PHONON=ON
+ -DPKG_USER-QTB=ON
+ -DPKG_USER-REAXC=ON
+ -DPKG_USER-SMD=ON
+ -DPKG_USER-SMTBQ=ON
+ -DPKG_USER-SPH=ON
+ -DPKG_USER-TALLY=ON
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2020-02-13 21:40 David Seifert
0 siblings, 0 replies; 80+ messages in thread
From: David Seifert @ 2020-02-13 21:40 UTC (permalink / raw
To: gentoo-commits
commit: 80b6e19df08ff9760ed7c89bde41073a9038d5cc
Author: David Seifert <soap <AT> gentoo <DOT> org>
AuthorDate: Thu Feb 13 21:38:47 2020 +0000
Commit: David Seifert <soap <AT> gentoo <DOT> org>
CommitDate: Thu Feb 13 21:38:47 2020 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=80b6e19d
sci-physics/lammps: [QA] inherit toolchain-funcs.eclass directly
Package-Manager: Portage-2.3.88, Repoman-2.3.20
Signed-off-by: David Seifert <soap <AT> gentoo.org>
sci-physics/lammps/lammps-20150210.ebuild | 4 ++--
sci-physics/lammps/lammps-20150515-r1.ebuild | 4 ++--
sci-physics/lammps/lammps-20150515.ebuild | 4 ++--
sci-physics/lammps/lammps-20150810.ebuild | 4 ++--
sci-physics/lammps/lammps-20151106.ebuild | 4 ++--
sci-physics/lammps/lammps-20151120.ebuild | 4 ++--
sci-physics/lammps/lammps-20151207.ebuild | 4 ++--
sci-physics/lammps/lammps-20151208.ebuild | 4 ++--
sci-physics/lammps/lammps-20151209.ebuild | 4 ++--
sci-physics/lammps/lammps-20151211.ebuild | 4 ++--
sci-physics/lammps/lammps-20160115.ebuild | 4 ++--
sci-physics/lammps/lammps-20160122.ebuild | 4 ++--
sci-physics/lammps/lammps-20160216.ebuild | 4 ++--
sci-physics/lammps/lammps-20160301.ebuild | 4 ++--
sci-physics/lammps/lammps-20160310.ebuild | 4 ++--
sci-physics/lammps/lammps-20160314.ebuild | 4 ++--
sci-physics/lammps/lammps-20160321.ebuild | 4 ++--
sci-physics/lammps/lammps-20160407.ebuild | 4 ++--
sci-physics/lammps/lammps-20160730.ebuild | 4 ++--
sci-physics/lammps/lammps-20170109.ebuild | 2 +-
sci-physics/lammps/lammps-20170706.ebuild | 2 +-
21 files changed, 40 insertions(+), 40 deletions(-)
diff --git a/sci-physics/lammps/lammps-20150210.ebuild b/sci-physics/lammps/lammps-20150210.ebuild
index 78352de60d5..3f5496d7e55 100644
--- a/sci-physics/lammps/lammps-20150210.ebuild
+++ b/sci-physics/lammps/lammps-20150210.ebuild
@@ -1,9 +1,9 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
-inherit eutils flag-o-matic fortran-2 multilib
+inherit eutils flag-o-matic fortran-2 multilib toolchain-funcs
convert_month() {
case $1 in
diff --git a/sci-physics/lammps/lammps-20150515-r1.ebuild b/sci-physics/lammps/lammps-20150515-r1.ebuild
index aefd583848e..36ae7f6e0da 100644
--- a/sci-physics/lammps/lammps-20150515-r1.ebuild
+++ b/sci-physics/lammps/lammps-20150515-r1.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
case $1 in
diff --git a/sci-physics/lammps/lammps-20150515.ebuild b/sci-physics/lammps/lammps-20150515.ebuild
index 7f166b3bbb6..c49969a4934 100644
--- a/sci-physics/lammps/lammps-20150515.ebuild
+++ b/sci-physics/lammps/lammps-20150515.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
case $1 in
diff --git a/sci-physics/lammps/lammps-20150810.ebuild b/sci-physics/lammps/lammps-20150810.ebuild
index 6fd889c9040..54a348a14e1 100644
--- a/sci-physics/lammps/lammps-20150810.ebuild
+++ b/sci-physics/lammps/lammps-20150810.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
case $1 in
diff --git a/sci-physics/lammps/lammps-20151106.ebuild b/sci-physics/lammps/lammps-20151106.ebuild
index c3babf7669c..2fde77a451e 100644
--- a/sci-physics/lammps/lammps-20151106.ebuild
+++ b/sci-physics/lammps/lammps-20151106.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20151120.ebuild b/sci-physics/lammps/lammps-20151120.ebuild
index c3babf7669c..2fde77a451e 100644
--- a/sci-physics/lammps/lammps-20151120.ebuild
+++ b/sci-physics/lammps/lammps-20151120.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20151207.ebuild b/sci-physics/lammps/lammps-20151207.ebuild
index 65c5882cce5..dcda006b221 100644
--- a/sci-physics/lammps/lammps-20151207.ebuild
+++ b/sci-physics/lammps/lammps-20151207.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20151208.ebuild b/sci-physics/lammps/lammps-20151208.ebuild
index 214321dbf10..b35aba4e3be 100644
--- a/sci-physics/lammps/lammps-20151208.ebuild
+++ b/sci-physics/lammps/lammps-20151208.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20151209.ebuild b/sci-physics/lammps/lammps-20151209.ebuild
index 214321dbf10..b35aba4e3be 100644
--- a/sci-physics/lammps/lammps-20151209.ebuild
+++ b/sci-physics/lammps/lammps-20151209.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20151211.ebuild b/sci-physics/lammps/lammps-20151211.ebuild
index 214321dbf10..b35aba4e3be 100644
--- a/sci-physics/lammps/lammps-20151211.ebuild
+++ b/sci-physics/lammps/lammps-20151211.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20160115.ebuild b/sci-physics/lammps/lammps-20160115.ebuild
index c03e8b7c23f..d7ab20c7fb2 100644
--- a/sci-physics/lammps/lammps-20160115.ebuild
+++ b/sci-physics/lammps/lammps-20160115.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20160122.ebuild b/sci-physics/lammps/lammps-20160122.ebuild
index c03e8b7c23f..d7ab20c7fb2 100644
--- a/sci-physics/lammps/lammps-20160122.ebuild
+++ b/sci-physics/lammps/lammps-20160122.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20160216.ebuild b/sci-physics/lammps/lammps-20160216.ebuild
index 1a3008024a9..ad08c8989d5 100644
--- a/sci-physics/lammps/lammps-20160216.ebuild
+++ b/sci-physics/lammps/lammps-20160216.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20160301.ebuild b/sci-physics/lammps/lammps-20160301.ebuild
index 1a3008024a9..ad08c8989d5 100644
--- a/sci-physics/lammps/lammps-20160301.ebuild
+++ b/sci-physics/lammps/lammps-20160301.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20160310.ebuild b/sci-physics/lammps/lammps-20160310.ebuild
index 1a3008024a9..ad08c8989d5 100644
--- a/sci-physics/lammps/lammps-20160310.ebuild
+++ b/sci-physics/lammps/lammps-20160310.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20160314.ebuild b/sci-physics/lammps/lammps-20160314.ebuild
index 1a3008024a9..ad08c8989d5 100644
--- a/sci-physics/lammps/lammps-20160314.ebuild
+++ b/sci-physics/lammps/lammps-20160314.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20160321.ebuild b/sci-physics/lammps/lammps-20160321.ebuild
index 1a3008024a9..ad08c8989d5 100644
--- a/sci-physics/lammps/lammps-20160321.ebuild
+++ b/sci-physics/lammps/lammps-20160321.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20160407.ebuild b/sci-physics/lammps/lammps-20160407.ebuild
index 2b9ec4977e7..b2e5fa94a3e 100644
--- a/sci-physics/lammps/lammps-20160407.ebuild
+++ b/sci-physics/lammps/lammps-20160407.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20160730.ebuild b/sci-physics/lammps/lammps-20160730.ebuild
index bc2824347c8..31dd7cfab62 100644
--- a/sci-physics/lammps/lammps-20160730.ebuild
+++ b/sci-physics/lammps/lammps-20160730.ebuild
@@ -1,11 +1,11 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
PYTHON_COMPAT=( python2_7 )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20170109.ebuild b/sci-physics/lammps/lammps-20170109.ebuild
index 9cf71b8e0c8..13054151b52 100644
--- a/sci-physics/lammps/lammps-20170109.ebuild
+++ b/sci-physics/lammps/lammps-20170109.ebuild
@@ -5,7 +5,7 @@ EAPI=6
PYTHON_COMPAT=( python{2_7,3_6} )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
diff --git a/sci-physics/lammps/lammps-20170706.ebuild b/sci-physics/lammps/lammps-20170706.ebuild
index 2c030ea6e2e..4f6d7f2e82e 100644
--- a/sci-physics/lammps/lammps-20170706.ebuild
+++ b/sci-physics/lammps/lammps-20170706.ebuild
@@ -5,7 +5,7 @@ EAPI=6
PYTHON_COMPAT=( python{2_7,3_6} )
-inherit eutils flag-o-matic fortran-2 multilib python-r1
+inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
convert_month() {
local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2020-02-14 13:11 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2020-02-14 13:11 UTC (permalink / raw
To: gentoo-commits
commit: 5f1215db4f7808ea885d787ceea6d50234f8fd56
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Fri Feb 14 12:35:55 2020 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Fri Feb 14 13:11:12 2020 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5f1215db
sci-physics/lammps: Clean up old versions
Bug: https://bugs.gentoo.org/709012
Package-Manager: Portage-2.3.84, Repoman-2.3.20
Signed-off-by: Nicolas Bock <nicolasbock <AT> gentoo.org>
Package-Manager: Portage-2.3.84, Repoman-2.3.20
sci-physics/lammps/Manifest | 21 ---
sci-physics/lammps/lammps-20150210.ebuild | 205 ---------------------
sci-physics/lammps/lammps-20150515-r1.ebuild | 266 ---------------------------
sci-physics/lammps/lammps-20150515.ebuild | 266 ---------------------------
sci-physics/lammps/lammps-20150810.ebuild | 266 ---------------------------
sci-physics/lammps/lammps-20151106.ebuild | 212 ---------------------
sci-physics/lammps/lammps-20151120.ebuild | 212 ---------------------
sci-physics/lammps/lammps-20151207.ebuild | 216 ----------------------
sci-physics/lammps/lammps-20151208.ebuild | 216 ----------------------
sci-physics/lammps/lammps-20151209.ebuild | 216 ----------------------
sci-physics/lammps/lammps-20151211.ebuild | 216 ----------------------
sci-physics/lammps/lammps-20160115.ebuild | 217 ----------------------
sci-physics/lammps/lammps-20160122.ebuild | 217 ----------------------
sci-physics/lammps/lammps-20160216.ebuild | 217 ----------------------
sci-physics/lammps/lammps-20160301.ebuild | 217 ----------------------
sci-physics/lammps/lammps-20160310.ebuild | 217 ----------------------
sci-physics/lammps/lammps-20160314.ebuild | 217 ----------------------
sci-physics/lammps/lammps-20160321.ebuild | 217 ----------------------
sci-physics/lammps/lammps-20160407.ebuild | 218 ----------------------
sci-physics/lammps/lammps-20160730.ebuild | 220 ----------------------
sci-physics/lammps/lammps-20170109.ebuild | 220 ----------------------
sci-physics/lammps/lammps-20170706.ebuild | 219 ----------------------
sci-physics/lammps/lammps-20170901-r1.ebuild | 132 -------------
sci-physics/lammps/lammps-20170901.ebuild | 130 -------------
24 files changed, 4970 deletions(-)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 0fdb91cca31..3909bb299f9 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,27 +1,6 @@
-DIST lammps-10Aug15.tar.gz 87890369 BLAKE2B 7983a1639d04d949dc3215cbe8001ade104adcaa000525ce4606d24479a799edf623d5f08479cea2fae3950a27734cb190cdfa0b77305d620b0e9b67e7e5e480 SHA512 fc395cf7e59de7e71bad64e2500224d33ff0f76bb79530fdcde5ec9879b91c332d1421a25e5d5bb9cc47a55745e760d01b2ac8ad29f9e71c8a90a0ace9212618
-DIST lammps-10Feb15.tar.gz 62912048 BLAKE2B ce2463bb8e2cd19b56e89a7090b39e10b8340ac20e1a9ed4f72d60356d0f1270c0019e7bf4fb7d808e1400e1639b893b2e3b3b173d23f2aa1e2b1da3c80d4c4e SHA512 a7804377a23f03f338bdaf443439dffcdc52293b4c45e6369b340a1107510fed0b8a198e3b5afcff2e04e109985b52ee62e7b28276697bae37ac6f783d1ab9f2
-DIST lammps-10Mar16.tar.gz 88637744 BLAKE2B 4b6c8d349935af734e7153c8a28d6928796a010a809899b24610cc59ffcccbad9f06a2b17dcb1e983b405e692021d0cc1857f04381e1600adf228e3b19d0948f SHA512 b850c9f9826cd7f4db2d922c9ee1bc8302ea5cf92200f56e5aa834850f690ee8e17dca6e431651ccfded34bd79e2b8e50cfb2e7de3bd93359279f06bb8704424
-DIST lammps-11Dec15.tar.gz 82386057 BLAKE2B 7d73052647cafe55c7c4cee257349c594e74c34f429084a96f7dc9e58b1be8009bc90224a71ca880e8cf71ad6ac7159e6664c04f19f6e09e94a8f0ce915897e0 SHA512 dce3c29811ee25b8404774b69d7e9746535bed5c4ae9a1c21aaf6979e411bb4b777ca95a4f788d16f6093785e074dbc5275c2d99b1c1d6a28aa0706069855a77
-DIST lammps-14Mar16.tar.gz 88642225 BLAKE2B 38581c47dcf709e062ef7b7142c44a152c453e385537138371cb31f9dd3cca2a086786940ad9c1967432ae5e4f0652dd5c31ad602f0e30ef71e9db284a6d06ee SHA512 5ba774165ea4957fc3f33c91b96ff7b5e2ab498b6979d7887d5e7dfd464e3c830edffcc341e93fc8dcdb89f3eadd683c0893d4a8d2664ad469aa79ddc39c21b7
-DIST lammps-15Jan16.tar.gz 85956338 BLAKE2B 1fe382bc36ce3fb8352bfce94aaa92b5eab50528ec6236cc217eed09766e6c7a63891c21a12e8f293fd257b328693f15e723e357f813e0e91cc321a5edc2c478 SHA512 7dc2043afba78ec8d61b5880b6123952b42e5076fe7e3c3855186215054bc28710b89fd5b015d495fcfe38d5970efd43f3e6e834e80f39b6305b551d39f5eeab
-DIST lammps-15May15.tar.gz 63835027 BLAKE2B 4fbdd71d5dfba78ddb68a07f0b92404d76bd17b4dae79619145bdecc04e7805ae9436f95d16cec19177c1e824b40e1eba960c09abca93930b9e748482f291cee SHA512 a23c16b98117590b15ca7662b878fb2f76ec41399c329c98deb48e28a0ffce293443269513a96c2503389894b598787b19dadc210d4b4dbc6a7432caf633e7d1
-DIST lammps-16Feb16.tar.gz 87776530 BLAKE2B 440b1be2a132ce30c0480dd8f6dec03396c25c69e9b0985f0530d3dbebdfb8151957028d1e7e3c81bafd9c52bfedfb0adb541161d39bed1c888224d53558c1ac SHA512 f9fdfd4d3b70c864b4dcb7e58315f6fc81e3647a6bc2956d6b3e2760b3edbd8f933a406eb9b32697cabd0d7f8fbb897d873a399c855cb29f3635d6dc797212b8
-DIST lammps-1Mar16.tar.gz 87945422 BLAKE2B e011bb96b41239457ac2c5736bd7ef19164cd566acda56ed7064e728aa5e0f37eeb1a35d87d141a086bfaca8ece0e7a65da802edebc099229da78c9b39d918bc SHA512 25b59f840187053a9f47bc41f5d0b29a69ac507e05528fb3e84c2bb8facd90fff95e99cbd8707c8d087371355a2e1c5af1eb3e4115b788444af5d129e754fe9d
-DIST lammps-20Nov15.tar.gz 90227651 BLAKE2B 8c4e6338c146e5fac37cb57f74179d0d66d1f56d3a58651cb2e7b91fdbaf4e890886ca4586fbabac8e223fc558534415ded4aa830060b20c280ccd2cd3e0bfbf SHA512 4bff70e45fb30be10a33b4c6c60b73cceddf8d42588b0630b4802f1e61dea3c237c01c3667585ad210ef2cdb811491b1b8495718a90bb57853c58245e29d1fe4
-DIST lammps-21Mar16.tar.gz 88654277 BLAKE2B c29dcd5b520b3a55dc11b61419d36f58f1aeb1a4bb50f9bc1d748873b2a7d91c6d1270d5e614505c34a0d0c5c59156d742cce1e6561e198e51b34ea8ceb9990a SHA512 27e4a3a0c2c17fb9c85716b499ca2b3de8b0a699891afd32c8409117a0fbe27f1bd84ef16288cc5abda87ee8a7b1059960d8caed5aa339f54290aabeff0fdd4d
-DIST lammps-22Jan16.tar.gz 85952234 BLAKE2B 8ee844b595d0c261111fac4edb8e8ed5c936b3e40eb8fa1b1acdf9dec4713c9e1151dab82d1c2a53d2f4e1664b9059f66b98bb8cb261cff094e2ccb03cd27e16 SHA512 3ceeeaf76621bbc11ea25d5fb321b602b34ffb3893898a704b02e5cd428a36b2017006fdc1f7b1c5f957c33f26ca103a2939538ae7937555e0b25b5852cd48f3
-DIST lammps-30Jul16.tar.gz 94454127 BLAKE2B 7a84dcddb0a9f4b3ae6053c56abd1512fe76a50ee15bc003c111c189ee5126391380ddac7624cb9a5bb599d6d6746a4fe3e378cbdcb323266d07c48409dff2a7 SHA512 2ebcf30502810f8d6be107760bef0b9b4591142511ae410e7b44573fe9988bbbba5e8d5bfd16f74a3875bb1c41dbc6216a1c7e8a9b1d316fdf19a901ac4479d5
-DIST lammps-6Jul17.tar.gz 119855769 BLAKE2B 27228319a9d197729e9bc8cf4ed20cbad918978d12f91e8cf6ead342d74abebe1cc89592b1e948e53419bb8a9101e4b3777db11e0d3d0a4def29c0af6031510f SHA512 6351020311e63be126bf74adaf5667fdf232de48e74f269248d565fa0b6038c81bb16d6b5d01a7de0fdcd195aed41e9b4b69c339c6ff6da585babd458a55f04d
-DIST lammps-6Nov15.tar.gz 90177074 BLAKE2B d96ccb0331dc3a096491510610feedac319c20f179d6cbcf6db7f520b00f3e1252898d30d0f378dd95f4e247afec3241ac2669f324c09cf6c4d8a3f0c2a277a3 SHA512 91f8e33a00b3605dbb78f622a19886c11ca8ef3f4babe74e8d8f90bb176d5689e75d619155f58e6754a2756d20c05b74389e34f024167cba1841b8aade171daf
-DIST lammps-7Apr16.tar.gz 88791123 BLAKE2B adbf9337403251541cb0c87a062f8f1e22e5c076dee5ed752d7928b290038a011bb9a688e51dd7f3e2d1317b89309b58165632c11ccdf052e42bc9b2e3a652a3 SHA512 1045f0337b37a19760718a2b3b48d31608248069a8fb2dc43daf555e44e720db770ff53e2a2db09c3e1f2703bb98894516229382c810ce45cca3647f353a21cd
-DIST lammps-7Dec15.tar.gz 82168656 BLAKE2B c32a2f543ba5c9eaa96486f169228b4748d08b74ca45c17617769c26ccbe05aeff271a13c348198f433c7654538969e7ed74018057ca12a54e95957699ba1655 SHA512 13078e7614402efc310a178506134409b40fb2768c4d7ee1cfa6992b247ef25169288ec99d4314b1a98125037d7c1c954bd114abc6ac41c58f60506358d150e2
-DIST lammps-8Dec15.tar.gz 90700099 BLAKE2B 04dcc39e9fb47e4033ba41eee7455d503c9c9616a11a2d8881948a2708bdde6c502ef1b7ab912c027c390bb40b927714de3fba91afdced0f26dfc0fa86775ed3 SHA512 0382683a363975bd27cc1722932cd5b8eda9933bc9c676af135d7e4d784acd93cf60b2b47a19dbb9e4a05e5cf2fbf6ccc2c2a914c39e92e87009e23ead2eb497
-DIST lammps-9Dec15.tar.gz 82374079 BLAKE2B 8b5054b59162b98bf98980a8ece344af733ded5befe67404f03ed48c8191dbf640992b978f8fabcfb6936c876bf0e756aee68b4a50542dfc9c28f5d448846717 SHA512 a35ef5b3ee99162b96ce1a6d6cc3b0dc18bab7f693b824fc7ad52a7477234ed45c3081c399155725f1ebc3bd1bed312176f08d3fc807e7099d4b41b8f75fd11c
-DIST lammps-9Jan17.tar.gz 109694893 BLAKE2B dc3af18d4a7db43d22bc4d2ed79366f7f1b73cd5f8951d289ce6ad0a572b14fd8f1bc946382afe9fc60bc46354beb374caf09d195419235e077bf9386259f194 SHA512 ea7c61bc9607ff0e4c0af5c1a668d400841dfc11c6d6aacc6131a48a5a0d11cb6857303626b583d5119e5257b5b338853c5afafcc3870bb30d5743ff5648348c
DIST lammps-patch_12Dec2018.tar.gz 114619148 BLAKE2B 089e23681e46868d09991ca6525850838100aa74ce8796f3af602c76b74fd55618c91610193cfc22c1201e5417f11998f924642961b62824c0271e208f87b286 SHA512 4794fc9bed7974ec33d54b2843f17b29c61a63f91f76c75bec7f00f6f174901f703130564977f8cf7fa9274e7febe096878dc0fa84d65469a5eb8f9b17b58a5e
DIST lammps-patch_16Mar2018.tar.gz 91908414 BLAKE2B 0d2363ba507765d439988be9f17390889539ecf22132145f5f5f5411c6c3bf097b278b24b005374e4b176efcfbd01edb48b55076bfa41403718ad14d3905e062 SHA512 2847f9ffa368b966cba4792ebe86ea38dfc1e147647e2b738753121a09689901cea7197d3d95fa69cd065cd1d30aa37cbeffcb78b62ec85d88cd9f3ab25e25c2
DIST lammps-patch_17Jan2018.tar.gz 91721592 BLAKE2B d606a5fd699f3e7aaa777065532f778e96a5b21b88de3fcce69e79c4931fea233ed1ad68f56120865061623c6e33282b9f23f927a7a9820f8f824a241e5cd823 SHA512 533ada073882e9bfc6431db62c4899005983d9efbbb043bcb50b2b0a7af2b11c411bbcc6523b2ffbd5d46531b24573f4b98a07dc757bacbc2f27bb056d7956ff
-DIST lammps-patch_1Sep2017.tar.gz 88751184 BLAKE2B 013ba612c67767c0e11b64f0b726a81c534ceb763ac9eba9a94ef9e02166278c28cb5937162b83f783b80fef6471b0e265e45245cc5594eaa2b27ec2d5f972cf SHA512 01b56484d6e9d03c0cdc2f8100f571d6e0a354b08bda7f22176744f2724e566443514e7d8abb0571d4207709155441644d4c6dbcf17ee2a8dc4f10cb6c3e8ac1
DIST lammps-patch_22Aug2018.tar.gz 108761265 BLAKE2B fc509ccd8f5fda9fea9cf7f54b888df235b5d499a0aa3eee24bba81d35c95355cfc72ebb60f32a4adb879c0ab176659ebe634f9bbaeefd54ffc0d02329054f9f SHA512 bb1c11ef9c287b101b9f3483d6b90e55dc69a048529e5076f6f7d46e54802d0d75efc899865d462f9dd76937089e1080a126c1dc4bbb2648eda91cb38ba142b0
DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B 09d364b489d4402145b879ca40b290a4e33f39b6e5e4183bcccb09001002cb742917c8792f942a8b64bd992cde5c0f8dcd8b76506048f1392d33d1192aa4551d SHA512 8d4ac0f9cdcf4caa10bfb48129eec21cf31f7ce881b4cbd803c20fb638f7e55a1e645d314e172fe70eab473a4976c7f482e8c059e0c4e82527eb9438437ae146
DIST lammps-patch_5Jun2019.tar.gz 106437193 BLAKE2B ce2a89f58fcdc29fbfc6d5e8769e36402569e93182a19835a0482b228ae9f568c1b56d2fc5eb3dac8e94a1289b430279d88c15284e07b5f62049aaf86cca29d3 SHA512 d72a5de3068a902cd8a825c97cd071331d5e3c16429531809178c43930b363f6549bd6802b552c2667e8882f7f21c90bd815072deb5ac19c8687060c796e58b4
diff --git a/sci-physics/lammps/lammps-20150210.ebuild b/sci-physics/lammps/lammps-20150210.ebuild
deleted file mode 100644
index 3f5496d7e55..00000000000
--- a/sci-physics/lammps/lammps-20150210.ebuild
+++ /dev/null
@@ -1,205 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-inherit eutils flag-o-matic fortran-2 multilib toolchain-funcs
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 x86"
-IUSE="doc examples gzip lammps-memalign mpi static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- sci-libs/voro++
- "
-RDEPEND="${DEPEND}"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi '' "-I../STUBS") \
- MPI_PATH=$(usex mpi '' '-L../STUBS') \
- MPI_LIB=$(usex mpi '' '-lmpi_stubs') \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-}
-
-src_compile() {
- # Prepare compiler flags.
- append-cxxflags -fPIC -I../../src
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src stubs
-
- # Build packages
- emake -C src yes-asphere
- emake -C src yes-body
- emake -C src yes-class2
- emake -C src yes-colloid
- emake -C src yes-dipole
- emake -C src yes-fld
- #emake -C src yes-gpu
- emake -C src yes-granular
- # Need OpenKIM external dependency.
- #emake -C src yes-kim
- # Need Kokkos external dependency.
- #emake -C src yes-kokkos
- emake -C src yes-kspace
- emake -C src yes-manybody
- emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -j1 -C lib/meam -f Makefile.gfortran
- emake -C src yes-misc
- emake -C src yes-molecule
- #emake -C src yes-mpiio
- emake -C src yes-opt
- emake -C src yes-peri
- emake -C src yes-poems
- lmp_emake -C lib/poems -f Makefile.g++
- emake -C src yes-reax
- lmp_emake -j1 -C lib/reax -f Makefile.gfortran
- emake -C src yes-replica
- emake -C src yes-rigid
- emake -C src yes-shock
- emake -C src yes-snap
- emake -C src yes-srd
- emake -C src yes-voronoi
- emake -C src yes-xtc
-
- emake -C src yes-user-eff
- emake -C src yes-user-fep
- use mpi && emake -C src yes-user-lb
- emake -C src yes-user-phonon
- emake -C src yes-user-sph
-
- if use mpi; then
- emake -C src yes-user-atc
- lmp_emake -C lib/atc -f Makefile.g++
- fi
-
- if use static-libs; then
- # Build static library.
- lmp_emake -C src makelib
- lmp_emake -C src -f Makefile.lib serial
- fi
-
- # Build shared library.
- lmp_emake -C src makeshlib
- lmp_emake -C src -f Makefile.shlib serial
-
- # Compile main executable.
- lmp_emake -C src serial
-
- # Compile tools.
- emake -C tools binary2txt chain micelle2d data2xmovie
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150515-r1.ebuild b/sci-physics/lammps/lammps-20150515-r1.ebuild
deleted file mode 100644
index 36ae7f6e0da..00000000000
--- a/sci-physics/lammps/lammps-20150515-r1.ebuild
+++ /dev/null
@@ -1,266 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150515.ebuild b/sci-physics/lammps/lammps-20150515.ebuild
deleted file mode 100644
index c49969a4934..00000000000
--- a/sci-physics/lammps/lammps-20150515.ebuild
+++ /dev/null
@@ -1,266 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20150810.ebuild b/sci-physics/lammps/lammps-20150810.ebuild
deleted file mode 100644
index 54a348a14e1..00000000000
--- a/sci-physics/lammps/lammps-20150810.ebuild
+++ /dev/null
@@ -1,266 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- case $1 in
- 01) echo Jan
- ;;
- 02) echo Feb
- ;;
- 03) echo Mar
- ;;
- 04) echo Apr
- ;;
- 05) echo May
- ;;
- 06) echo Jun
- ;;
- 07) echo Jul
- ;;
- 08) echo Aug
- ;;
- 09) echo Sep
- ;;
- 10) echo Oct
- ;;
- 11) echo Nov
- ;;
- 12) echo Dec
- ;;
- *) echo unknown
- ;;
- esac
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE=$(tc-getAR) \
- CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
- F90=$(usex mpi "mpif90" "$(tc-getFC)") \
- LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC=$(usex mpi "" "-I../STUBS") \
- MPI_PATH=$(usex mpi "" "-L../STUBS") \
- MPI_LIB=$(usex mpi "" "-lmpi_stubs") \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- lmp_emake -C src yes-asphere
- lmp_emake -C src yes-body
- lmp_emake -C src yes-class2
- lmp_emake -C src yes-colloid
- lmp_emake -C src yes-coreshell
- lmp_emake -C src yes-dipole
- lmp_emake -C src yes-fld
- #lmp_emake -C src yes-gpu
- lmp_emake -C src yes-granular
- # Need OpenKIM external dependency.
- #lmp_emake -C src yes-kim
- # Need Kokkos external dependency.
- #lmp_emake -C src yes-kokkos
- lmp_emake -C src yes-kspace
- lmp_emake -C src yes-manybody
- lmp_emake -C src yes-mc
- lmp_emake -C src yes-meam
- lmp_emake -C src yes-misc
- lmp_emake -C src yes-molecule
- #lmp_emake -C src yes-mpiio
- lmp_emake -C src yes-opt
- lmp_emake -C src yes-peri
- lmp_emake -C src yes-poems
- lmp_emake -C src yes-qeq
- lmp_emake -C src yes-reax
- lmp_emake -C src yes-replica
- lmp_emake -C src yes-rigid
- lmp_emake -C src yes-shock
- lmp_emake -C src yes-snap
- lmp_emake -C src yes-srd
- lmp_emake -C src yes-voronoi
- lmp_emake -C src yes-xtc
-
- if use mpi; then
- lmp_emake -C src yes-user-atc
- fi
- lmp_emake -C src yes-user-eff
- lmp_emake -C src yes-user-fep
- use mpi && lmp_emake -C src yes-user-lb
- lmp_emake -C src yes-user-phonon
- lmp_emake -C src yes-user-sph
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20151106.ebuild b/sci-physics/lammps/lammps-20151106.ebuild
deleted file mode 100644
index 2fde77a451e..00000000000
--- a/sci-physics/lammps/lammps-20151106.ebuild
+++ /dev/null
@@ -1,212 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20151120.ebuild b/sci-physics/lammps/lammps-20151120.ebuild
deleted file mode 100644
index 2fde77a451e..00000000000
--- a/sci-physics/lammps/lammps-20151120.ebuild
+++ /dev/null
@@ -1,212 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20151207.ebuild b/sci-physics/lammps/lammps-20151207.ebuild
deleted file mode 100644
index dcda006b221..00000000000
--- a/sci-physics/lammps/lammps-20151207.ebuild
+++ /dev/null
@@ -1,216 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20151208.ebuild b/sci-physics/lammps/lammps-20151208.ebuild
deleted file mode 100644
index b35aba4e3be..00000000000
--- a/sci-physics/lammps/lammps-20151208.ebuild
+++ /dev/null
@@ -1,216 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20151209.ebuild b/sci-physics/lammps/lammps-20151209.ebuild
deleted file mode 100644
index b35aba4e3be..00000000000
--- a/sci-physics/lammps/lammps-20151209.ebuild
+++ /dev/null
@@ -1,216 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20151211.ebuild b/sci-physics/lammps/lammps-20151211.ebuild
deleted file mode 100644
index b35aba4e3be..00000000000
--- a/sci-physics/lammps/lammps-20151211.ebuild
+++ /dev/null
@@ -1,216 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-DEPEND="
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- gzip? ( app-arch/gzip )
- sci-libs/voro++
- python? ( ${PYTHON_DEPS} )
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20160115.ebuild b/sci-physics/lammps/lammps-20160115.ebuild
deleted file mode 100644
index d7ab20c7fb2..00000000000
--- a/sci-physics/lammps/lammps-20160115.ebuild
+++ /dev/null
@@ -1,217 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-# blas/lapack is needed by the ATC package which is only built with MPI.
-DEPEND="
- gzip? ( app-arch/gzip )
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20160122.ebuild b/sci-physics/lammps/lammps-20160122.ebuild
deleted file mode 100644
index d7ab20c7fb2..00000000000
--- a/sci-physics/lammps/lammps-20160122.ebuild
+++ /dev/null
@@ -1,217 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-# blas/lapack is needed by the ATC package which is only built with MPI.
-DEPEND="
- gzip? ( app-arch/gzip )
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r1.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20160216.ebuild b/sci-physics/lammps/lammps-20160216.ebuild
deleted file mode 100644
index ad08c8989d5..00000000000
--- a/sci-physics/lammps/lammps-20160216.ebuild
+++ /dev/null
@@ -1,217 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-# blas/lapack is needed by the ATC package which is only built with MPI.
-DEPEND="
- gzip? ( app-arch/gzip )
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r2.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20160301.ebuild b/sci-physics/lammps/lammps-20160301.ebuild
deleted file mode 100644
index ad08c8989d5..00000000000
--- a/sci-physics/lammps/lammps-20160301.ebuild
+++ /dev/null
@@ -1,217 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-# blas/lapack is needed by the ATC package which is only built with MPI.
-DEPEND="
- gzip? ( app-arch/gzip )
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r2.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20160310.ebuild b/sci-physics/lammps/lammps-20160310.ebuild
deleted file mode 100644
index ad08c8989d5..00000000000
--- a/sci-physics/lammps/lammps-20160310.ebuild
+++ /dev/null
@@ -1,217 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-# blas/lapack is needed by the ATC package which is only built with MPI.
-DEPEND="
- gzip? ( app-arch/gzip )
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r2.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20160314.ebuild b/sci-physics/lammps/lammps-20160314.ebuild
deleted file mode 100644
index ad08c8989d5..00000000000
--- a/sci-physics/lammps/lammps-20160314.ebuild
+++ /dev/null
@@ -1,217 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-# blas/lapack is needed by the ATC package which is only built with MPI.
-DEPEND="
- gzip? ( app-arch/gzip )
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r2.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20160321.ebuild b/sci-physics/lammps/lammps-20160321.ebuild
deleted file mode 100644
index ad08c8989d5..00000000000
--- a/sci-physics/lammps/lammps-20160321.ebuild
+++ /dev/null
@@ -1,217 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-# blas/lapack is needed by the ATC package which is only built with MPI.
-DEPEND="
- gzip? ( app-arch/gzip )
- mpi? (
- virtual/blas
- virtual/lapack
- virtual/mpi
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r2.patch"
- epatch "${FILESDIR}/python-shebang.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20160407.ebuild b/sci-physics/lammps/lammps-20160407.ebuild
deleted file mode 100644
index b2e5fa94a3e..00000000000
--- a/sci-physics/lammps/lammps-20160407.ebuild
+++ /dev/null
@@ -1,218 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-# blas/lapack is needed by the ATC package which is only built with MPI.
-DEPEND="
- gzip? ( app-arch/gzip )
- mpi? (
- virtual/mpi
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- # Patch python.
- epatch "${FILESDIR}/lammps-python3-r2.patch"
- epatch "${FILESDIR}/python-shebang.patch"
- epatch "${FILESDIR}/gcc-6.patch"
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20160730.ebuild b/sci-physics/lammps/lammps-20160730.ebuild
deleted file mode 100644
index 31dd7cfab62..00000000000
--- a/sci-physics/lammps/lammps-20160730.ebuild
+++ /dev/null
@@ -1,220 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-# blas/lapack is needed by the ATC package which is only built with MPI.
-DEPEND="
- gzip? ( app-arch/gzip )
- mpi? (
- virtual/mpi
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-PATCHES=(
- "${FILESDIR}/fm_exp.patch"
-)
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- eapply "${PATCHES[@]}"
- eapply_user
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20170109.ebuild b/sci-physics/lammps/lammps-20170109.ebuild
deleted file mode 100644
index 13054151b52..00000000000
--- a/sci-physics/lammps/lammps-20170109.ebuild
+++ /dev/null
@@ -1,220 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python{2_7,3_6} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-# blas/lapack is needed by the ATC package which is only built with MPI.
-DEPEND="
- gzip? ( app-arch/gzip )
- mpi? (
- virtual/mpi
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-PATCHES=(
- "${FILESDIR}/fm_exp.patch"
-)
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- eapply "${PATCHES[@]}"
- eapply_user
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain data2xmovie micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/data2xmovie
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dohtml -r doc/*
- fi
-}
diff --git a/sci-physics/lammps/lammps-20170706.ebuild b/sci-physics/lammps/lammps-20170706.ebuild
deleted file mode 100644
index 4f6d7f2e82e..00000000000
--- a/sci-physics/lammps/lammps-20170706.ebuild
+++ /dev/null
@@ -1,219 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python{2_7,3_6} )
-
-inherit eutils flag-o-matic fortran-2 multilib python-r1 toolchain-funcs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://lammps.sandia.gov/tars/${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="doc examples gzip lammps-memalign mpi python static-libs"
-
-# blas/lapack is needed by the ATC package which is only built with MPI.
-DEPEND="
- gzip? ( app-arch/gzip )
- mpi? (
- virtual/mpi
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}"
-
-PATCHES=(
- "${FILESDIR}/fm_exp.patch"
-)
-
-lmp_emake() {
- local LAMMPS_INCLUDEFLAGS
- LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
- LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN=64' '')"
-
- # The lammps makefile uses CC to indicate the C++ compiler.
- emake \
- ARCHIVE="$(tc-getAR)" \
- CC="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- F90="$(usex mpi "mpif90" "$(tc-getFC)")" \
- LINK="$(usex mpi "mpic++" "$(tc-getCXX)")" \
- CCFLAGS="${CXXFLAGS}" \
- F90FLAGS="${FCFLAGS}" \
- LINKFLAGS="${LDFLAGS}" \
- LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
- MPI_INC="$(usex mpi "" "-I../STUBS")" \
- MPI_PATH="$(usex mpi "" "-L../STUBS")" \
- MPI_LIB="$(usex mpi "" "-lmpi_stubs")" \
- user-atc_SYSLIB="$(usex mpi "$($(tc-getPKG_CONFIG) --libs blas) $($(tc-getPKG_CONFIG) --libs lapack)" '')"\
- "$@"
-}
-
-lmp_activate_packages() {
- # Build packages
- local packages=( yes-asphere yes-body yes-class2 yes-colloid \
- yes-coreshell yes-dipole yes-fld yes-granular yes-kspace \
- yes-manybody yes-mc yes-meam yes-misc \
- $(usex mpi "yes-user-atc" "") \
- yes-molecule yes-opt yes-peri yes-poems yes-qeq yes-reax \
- yes-replica yes-rigid yes-shock yes-snap yes-srd \
- yes-user-eff yes-user-fep \
- $(usex mpi "yes-user-lb" "") \
- yes-user-phonon yes-user-sph yes-voronoi yes-xtc )
-
- for p in ${packages[@]}; do
- lmp_emake -C src ${p}
- done
-}
-
-lmp_build_packages() {
- lmp_emake -C lib/meam -j1 -f Makefile.gfortran
- lmp_emake -C lib/poems -f Makefile.g++
- lmp_emake -C lib/reax -j1 -f Makefile.gfortran
- use mpi && lmp_emake -C lib/atc -f Makefile.g++
-}
-
-lmp_clean_packages() {
- lmp_emake -C lib/meam -f Makefile.gfortran clean
- lmp_emake -C lib/poems -f Makefile.g++ clean
- lmp_emake -C lib/reax -f Makefile.gfortran clean
- use mpi && lmp_emake -C lib/atc -f Makefile.g++ clean
-}
-
-src_prepare() {
- # Fix inconsistent use of SHFLAGS.
- sed -i \
- -e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
- -e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
- lib/voronoi/Makefile.lammps || die
-
- # Fix missing .so name.
- sed -i \
- -e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
- src/MAKE/Makefile.serial || die
-
- # Fix makefile in tools.
- sed -i \
- -e 's:g++:$(CXX) $(CXXFLAGS):' \
- -e 's:gcc:$(CC) $(CCFLAGS):' \
- -e 's:ifort:$(FC) $(FCFLAGS):' \
- tools/Makefile || die
-
- eapply "${PATCHES[@]}"
- eapply_user
-}
-
-src_compile() {
- # Fix atc...
- append-cxxflags -I../../src
-
- # Acticate packages.
- elog "Activating lammps packages..."
- lmp_activate_packages
-
- # STUBS/mpi.c is using '#include <mpi.h>' now instead of '#include
- # "mpi.h"' which requires an additional '-I.'.
- append-cxxflags -I.
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- if use static-libs; then
- # Build static library.
- elog "Building static library..."
- lmp_emake -C src mode=lib serial
- fi
-
- # Clean out packages (that's not done by the build system with the clean
- # target), so we can rebuild the packages with -fPIC.
- elog "Cleaning packages..."
- lmp_clean_packages
-
- # The build system does not rebuild the packages with -fPIC, adding flag
- # manually.
- append-cxxflags -fPIC
- append-fflags -fPIC
-
- # Compile stubs for serial version.
- use mpi || lmp_emake -C src mpi-stubs
-
- elog "Building packages..."
- lmp_build_packages
-
- # Build shared library.
- elog "Building shared library..."
- lmp_emake -C src mode=shlib serial
-
- # Compile main executable. The shared library is always built, and
- # mode=shexe is simply a way to re-use the object files built in the
- # "shlib" step when linking the executable. The executable is not actually
- # using the shared library. If we have built the static library, then we
- # link that into the executable.
- elog "Linking executable..."
- if use static-libs; then
- lmp_emake -C src mode=exe serial
- else
- lmp_emake -C src mode=shexe serial
- fi
-
- # Compile tools.
- elog "Building tools..."
- lmp_emake -C tools binary2txt chain micelle2d
-}
-
-src_install() {
- use static-libs && newlib.a src/liblammps_serial.a liblammps.a
- newlib.so src/liblammps_serial.so liblammps.so.0.0.0
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
- dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
- newbin src/lmp_serial lmp
- dobin tools/binary2txt
- dobin tools/chain
- dobin tools/micelle2d
- # Don't forget to add header files of optional packages as they are added
- # to this ebuild. There may also be .mod files from Fortran based
- # packages.
- insinto "/usr/include/${PN}"
- doins -r src/*.h lib/meam/*.mod
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r examples/*
- fi
-
- dodoc README
- if use doc; then
- dodoc doc/Manual.pdf
- dodoc -r doc/.
- fi
-}
diff --git a/sci-physics/lammps/lammps-20170901-r1.ebuild b/sci-physics/lammps/lammps-20170901-r1.ebuild
deleted file mode 100644
index 1efe9382d5a..00000000000
--- a/sci-physics/lammps/lammps-20170901-r1.ebuild
+++ /dev/null
@@ -1,132 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python{2_7,3_6} )
-
-inherit cmake-utils fortran-2 python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
-RESTRICT="!test? ( test )"
-
-DEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0
- netcdf? ( sci-libs/netcdf )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- dev-cpp/eigen:3
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}/cmake"
-
-src_configure() {
- local mycmakeargs=(
- -DBUILD_SHARED_LIBS=ON
- -DENABLE_MPI=$(usex mpi)
- -DENABLE_GPU=$(usex cuda)
- -DENABLE_TESTING=$(usex test)
- -DENABLE_ASPHERE=ON
- -DENABLE_BODY=ON
- -DENABLE_CLASS2=ON
- -DENABLE_COLLOID=ON
- -DENABLE_COMPRESS=ON
- -DENABLE_CORESHELL=ON
- -DENABLE_DIPOLE=ON
- -DENABLE_GRANULAR=ON
- -DENABLE_KSPACE=ON
- -DFFT=FFTW3
- -DENABLE_MANYBODY=ON
- -DENABLE_MC=ON
- -DENABLE_MEAM=ON
- -DENABLE_MISC=ON
- -DLAMMPS_XDR=ON #630444
- -DENABLE_MOLECULE=ON
- -DENABLE_PERI=ON
- -DENABLE_QEQ=ON
- -DENABLE_REAX=ON
- -DENABLE_REPLICA=ON
- -DENABLE_RIGID=ON
- -DENABLE_SHOCK=ON
- -DENABLE_SNAP=ON
- -DENABLE_SRD=ON
- -DENABLE_PYTHON=ON
- -DENABLE_MPIIO=$(usex mpi)
- -DENABLE_VORONOI=ON
- -DENABLE_USER-ATC=ON
- -DENABLE_USER-AWPMD=ON
- -DENABLE_USER-CGDNA=ON
- -DENABLE_USER-CGSDK=ON
- -DENABLE_USER-COLVARS=ON
- -DENABLE_USER-DIFFRACTION=ON
- -DENABLE_USER-DPD=ON
- -DENABLE_USER-DRUDE=ON
- -DENABLE_USER-EFF=ON
- -DENABLE_USER-FEP=ON
- -DENABLE_USER-H5MD=$(usex mpi)
- -DENABLE_USER-LB=$(usex mpi)
- -DENABLE_USER-MANIFOLD=ON
- -DENABLE_USER-MEAMC=ON
- -DENABLE_USER-MGPT=ON
- -DENABLE_USER-MISC=ON
- -DENABLE_USER-MOLFILE=ON
- -DENABLE_USER-NETCDF=$(usex netcdf)
- -DENABLE_USER-PHONON=ON
- -DENABLE_USER-QTB=ON
- -DENABLE_USER-REAXC=ON
- -DENABLE_USER-SMD=ON
- -DENABLE_USER-SMTBQ=ON
- -DENABLE_USER-SPH=ON
- -DENABLE_USER-TALLY=ON
- )
- cmake-utils_src_configure
-}
-
-src_install() {
- cmake-utils_src_install
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins "${S}"/../potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
diff --git a/sci-physics/lammps/lammps-20170901.ebuild b/sci-physics/lammps/lammps-20170901.ebuild
deleted file mode 100644
index 3e898dcb6a1..00000000000
--- a/sci-physics/lammps/lammps-20170901.ebuild
+++ /dev/null
@@ -1,130 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python{2_7,3_6} )
-
-inherit cmake-utils fortran-2 python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
-RESTRICT="!test? ( test )"
-
-DEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0
- netcdf? ( sci-libs/netcdf )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- dev-cpp/eigen:3
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}/cmake"
-
-src_configure() {
- local mycmakeargs=(
- -DBUILD_SHARED_LIBS=ON
- -DENABLE_MPI=$(usex mpi)
- -DENABLE_GPU=$(usex cuda)
- -DENABLE_TESTING=$(usex test)
- -DENABLE_ASPHERE=ON
- -DENABLE_BODY=ON
- -DENABLE_CLASS2=ON
- -DENABLE_COLLOID=ON
- -DENABLE_COMPRESS=ON
- -DENABLE_CORESHELL=ON
- -DENABLE_DIPOLE=ON
- -DENABLE_GRANULAR=ON
- -DENABLE_KSPACE=ON
- -DFFT=FFTW3
- -DENABLE_MANYBODY=ON
- -DENABLE_MC=ON
- -DENABLE_MEAM=ON
- -DENABLE_MISC=ON
- -DLAMMPS_XDR=ON #630444
- -DENABLE_MOLECULE=ON
- -DENABLE_PERI=ON
- -DENABLE_QEQ=ON
- -DENABLE_REAX=ON
- -DENABLE_REPLICA=ON
- -DENABLE_RIGID=ON
- -DENABLE_SHOCK=ON
- -DENABLE_SNAP=ON
- -DENABLE_SRD=ON
- -DENABLE_PYTHON=ON
- -DENABLE_MPIIO=$(usex mpi)
- -DENABLE_VORONOI=ON
- -DENABLE_USER-ATC=ON
- -DENABLE_USER-AWPMD=ON
- -DENABLE_USER-CGDNA=ON
- -DENABLE_USER-CGSDK=ON
- -DENABLE_USER-COLVARS=ON
- -DENABLE_USER-DIFFRACTION=ON
- -DENABLE_USER-DPD=ON
- -DENABLE_USER-DRUDE=ON
- -DENABLE_USER-EFF=ON
- -DENABLE_USER-FEP=ON
- -DENABLE_USER-H5MD=$(usex mpi)
- -DENABLE_USER-LB=$(usex mpi)
- -DENABLE_USER-MANIFOLD=ON
- -DENABLE_USER-MEAMC=ON
- -DENABLE_USER-MGPT=ON
- -DENABLE_USER-MISC=ON
- -DENABLE_USER-MOLFILE=ON
- -DENABLE_USER-NETCDF=$(usex netcdf)
- -DENABLE_USER-PHONON=ON
- -DENABLE_USER-QTB=ON
- -DENABLE_USER-REAXC=ON
- -DENABLE_USER-SMD=ON
- -DENABLE_USER-SMTBQ=ON
- -DENABLE_USER-SPH=ON
- -DENABLE_USER-TALLY=ON
- )
- cmake-utils_src_configure
-}
-
-src_install() {
- cmake-utils_src_install
-
- local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
- insinto "/${LAMMPS_POTENTIALS}"
- doins "${S}"/../potentials/*
- echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
- doenvd 99lammps
-
- # Install python script.
- use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
-
- if use examples; then
- local LAMMPS_EXAMPLES="/usr/share/${PN}/examples"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../examples/*
- fi
-}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2020-02-14 13:11 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2020-02-14 13:11 UTC (permalink / raw
To: gentoo-commits
commit: 3407c3f8b7d656feb6a54ef8449ea2b9b7cd983c
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Tue Feb 11 13:26:05 2020 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Fri Feb 14 13:11:12 2020 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3407c3f8
sci-physics/lammps: Drop Python 2.7
Bug: https://bugs.gentoo.org/709012
Package-Manager: Portage-2.3.84, Repoman-2.3.20
Signed-off-by: Nicolas Bock <nicolasbock <AT> gentoo.org>
sci-physics/lammps/lammps-20190807-r1.ebuild | 131 +++++++++++++++++++++++++++
1 file changed, 131 insertions(+)
diff --git a/sci-physics/lammps/lammps-20190807-r1.ebuild b/sci-physics/lammps/lammps-20190807-r1.ebuild
new file mode 100644
index 00000000000..b1341c65e68
--- /dev/null
+++ b/sci-physics/lammps/lammps-20190807-r1.ebuild
@@ -0,0 +1,131 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python3_{6,7} )
+
+inherit cmake-utils fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="patch_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="https://lammps.sandia.gov/"
+TCOMMIT=d0394a77fa2b4b2d545a73ea092cf6de7616aac8
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz
+ test? ( https://github.com/lammps/lammps-testing/archive/${TCOMMIT}.tar.gz -> ${PN}-testing-${TCOMMIT}.tar.gz )"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+RESTRICT="!test? ( test )"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DBUILD_LIB=ON
+ -DPKG_GPU=$(usex cuda)
+ -DGPU_API=CUDA
+ -DENABLE_TESTING=$(usex test)
+ -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REAX=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SNAP=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=ON
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ -DPKG_USER-ATC=ON
+ -DPKG_USER-AWPMD=ON
+ -DPKG_USER-CGDNA=ON
+ -DPKG_USER-CGSDK=ON
+ -DPKG_USER-COLVARS=ON
+ -DPKG_USER-DIFFRACTION=ON
+ -DPKG_USER-DPD=ON
+ -DPKG_USER-DRUDE=ON
+ -DPKG_USER-EFF=ON
+ -DPKG_USER-FEP=ON
+ -DPKG_USER-H5MD=$(usex mpi)
+ -DPKG_USER-LB=$(usex mpi)
+ -DPKG_USER-MANIFOLD=ON
+ -DPKG_USER-MEAMC=ON
+ -DPKG_USER-MGPT=ON
+ -DPKG_USER-MISC=ON
+ -DPKG_USER-MOLFILE=ON
+ -DPKG_USER-NETCDF=$(usex netcdf)
+ -DPKG_USER-PHONON=ON
+ -DPKG_USER-QTB=ON
+ -DPKG_USER-REAXC=ON
+ -DPKG_USER-SMD=ON
+ -DPKG_USER-SMTBQ=ON
+ -DPKG_USER-SPH=ON
+ -DPKG_USER-TALLY=ON
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2020-03-05 0:31 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2020-03-05 0:31 UTC (permalink / raw
To: gentoo-commits
commit: 5d6b2bf37b20913c803661b0525087922900cb65
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Thu Mar 5 00:30:34 2020 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Thu Mar 5 00:31:11 2020 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5d6b2bf3
sci-physics/lammps: version bump
Package-Manager: Portage-2.3.84, Repoman-2.3.20
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>
sci-physics/lammps/Manifest | 2 +
sci-physics/lammps/lammps-20200303.ebuild | 130 ++++++++++++++++++++++++++++++
2 files changed, 132 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 3909bb299f9..9265c08f59f 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -6,6 +6,8 @@ DIST lammps-patch_22Feb2018.tar.gz 91869050 BLAKE2B 09d364b489d4402145b879ca40b2
DIST lammps-patch_5Jun2019.tar.gz 106437193 BLAKE2B ce2a89f58fcdc29fbfc6d5e8769e36402569e93182a19835a0482b228ae9f568c1b56d2fc5eb3dac8e94a1289b430279d88c15284e07b5f62049aaf86cca29d3 SHA512 d72a5de3068a902cd8a825c97cd071331d5e3c16429531809178c43930b363f6549bd6802b552c2667e8882f7f21c90bd815072deb5ac19c8687060c796e58b4
DIST lammps-patch_7Aug2019.tar.gz 105303933 BLAKE2B 8609251a919a88da64f2c0578414567141f128bbce3a447be09a99fb1f96620c15db29b4a312afc536f60237f3010a0753dfefa09d0bdfb3222b8f1491995c70 SHA512 61fff23c90a0f9029363cb90ff972e7e97b0f3be6a8153263b6be4f11960603af7f6c8b26a76b8bdcf25009c68a7a7fab3405a3f47b923695798a60723694001
DIST lammps-patch_8Mar2018.tar.gz 91878683 BLAKE2B a4cf307769b1ac27c9cbe781a70f307d5275d2ccd4f6f77a2a21f00413ffa0af499577207afd23afd95ef6126071e8b779f6c52d50ff7117afb63161613c9f5b SHA512 57885d12e9e0ea9a6735cc2f7a2a8a9314dacbe9eaf5a46cb6d20fd7e2d0e8b0ebb3e24731eb750861973efe4d3cf0cf5a739cc9d51407f26bf3d556243c186f
+DIST lammps-stable_3Mar2020.tar.gz 126001870 BLAKE2B 35ed6ff208fd6dcc8eae50b8e0562a6a0771aa6419c0225353f648d95512ca64b22250ad4a3f9b836b9a25a6838e24e070a1d190fdc02b896dc1ed9838648f01 SHA512 6608cd9f6ea18d8acb55d611a560cb4b329043b41aca23fafd91fac0dfbde5a5286e1a6563bd16b2414bb3bf95929e3a2f270a0b023ce5ede515eb3353d56f04
DIST lammps-testing-7869c75cac38cb8a3d2ef7747ea12ec5812f5151.tar.gz 54374284 BLAKE2B a223ef3926540660ce28fd2673667840002f6bfbbd5565deb9fb01b994085eb4d6cd24807fab49117a1b328f151d1511b7aa4d2fcdd443d20927112b83d029f0 SHA512 c996f7109d6467ae8e6a8c187485afb7c55b6dcf2b2e7003a8edd271e7f7dfe275079fbb0d680455628c8fd2eb87640284e8a92ffe095fcb398133be587af57a
DIST lammps-testing-827be7af84ca100d394ea1cf6d3bc49f6a8eef92.tar.gz 55706643 BLAKE2B 7f2753759e1048ee9af58f1b210fe42972cc40b6df3ab5495f66bcfd10f4818f6e2c4e27f759d6ca302024531849286c4709a869984bea3d385cb44412d4d668 SHA512 bfffb0501b7b254dfc2cfcd12945b14766c1addf680d1140a78116b97a2a70795244f3a5a439aaf69ae014e35c454a48e028ca8aa65179e5da5039d6f1676e02
DIST lammps-testing-d0394a77fa2b4b2d545a73ea092cf6de7616aac8.tar.gz 55715042 BLAKE2B 326f0357b555c030f667c502fd2c2330aa588c4a1224434ef30637ad8c6be49a5b8ee58cbc525b874f665903cf21494b52403c3a53ec0898a8cf81906c614833 SHA512 4a980578ce584b5b9334b4177f4f9188f00ac50ca916ce63a4d2ef034a4fa218366a8f32cc7dc29dc99e6b01e40cf8c8bbf15566840fe07fc5c6c2e8c55ece93
+DIST lammps-testing-stable_3Mar2020.tar.gz 55729550 BLAKE2B d0de8efa83342b4a350f17a43d3fe96011534b3f410beb295e396a45200ea56298c14664b290b2e30ab4f2fd70b92c01c73927b2878e8171a166dedee8ecf379 SHA512 e3dc592ce57ae625eb66ddd9ca80d7bbaca57c47a07166a7196dcc3074b574a497e706da8baf93b5deacdf588702ceb141014533ac2aaccdd011836fb34943b9
diff --git a/sci-physics/lammps/lammps-20200303.ebuild b/sci-physics/lammps/lammps-20200303.ebuild
new file mode 100644
index 00000000000..025056ed130
--- /dev/null
+++ b/sci-physics/lammps/lammps-20200303.ebuild
@@ -0,0 +1,130 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python3_{6,7} )
+
+inherit cmake-utils fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="stable_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz
+ test? ( https://github.com/lammps/lammps-testing/archive/${MY_PV}.tar.gz -> ${PN}-testing-${MY_PV}.tar.gz )"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+RESTRICT="!test? ( test )"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DBUILD_LIB=ON
+ -DPKG_GPU=$(usex cuda)
+ -DGPU_API=CUDA
+ -DENABLE_TESTING=$(usex test)
+ -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REAX=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SNAP=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=ON
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ -DPKG_USER-ATC=ON
+ -DPKG_USER-AWPMD=ON
+ -DPKG_USER-CGDNA=ON
+ -DPKG_USER-CGSDK=ON
+ -DPKG_USER-COLVARS=ON
+ -DPKG_USER-DIFFRACTION=ON
+ -DPKG_USER-DPD=ON
+ -DPKG_USER-DRUDE=ON
+ -DPKG_USER-EFF=ON
+ -DPKG_USER-FEP=ON
+ -DPKG_USER-H5MD=$(usex mpi)
+ -DPKG_USER-LB=$(usex mpi)
+ -DPKG_USER-MANIFOLD=ON
+ -DPKG_USER-MEAMC=ON
+ -DPKG_USER-MGPT=ON
+ -DPKG_USER-MISC=ON
+ -DPKG_USER-MOLFILE=ON
+ -DPKG_USER-NETCDF=$(usex netcdf)
+ -DPKG_USER-PHONON=ON
+ -DPKG_USER-QTB=ON
+ -DPKG_USER-REAXC=ON
+ -DPKG_USER-SMD=ON
+ -DPKG_USER-SMTBQ=ON
+ -DPKG_USER-SPH=ON
+ -DPKG_USER-TALLY=ON
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2020-03-15 13:37 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2020-03-15 13:37 UTC (permalink / raw
To: gentoo-commits
commit: 3172f57910cedcae8092ea7c748acfe52545c25c
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Sun Mar 15 13:36:50 2020 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Sun Mar 15 13:37:13 2020 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3172f579
sci-physics/lammps: add kokkos support
Package-Manager: Portage-2.3.89, Repoman-2.3.20
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>
sci-physics/lammps/lammps-20200303.ebuild | 5 ++++-
sci-physics/lammps/metadata.xml | 1 +
2 files changed, 5 insertions(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20200303.ebuild b/sci-physics/lammps/lammps-20200303.ebuild
index 025056ed130..b159bd9a946 100644
--- a/sci-physics/lammps/lammps-20200303.ebuild
+++ b/sci-physics/lammps/lammps-20200303.ebuild
@@ -23,7 +23,7 @@ SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar
LICENSE="GPL-2"
SLOT="0"
KEYWORDS="~amd64 ~x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
+IUSE="cuda examples gzip kokkos lammps-memalign mpi netcdf python test"
RESTRICT="!test? ( test )"
DEPEND="
@@ -41,6 +41,7 @@ DEPEND="
sci-libs/fftw:3.0
netcdf? ( sci-libs/netcdf )
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ kokkos? ( >=dev-cpp/kokkos-3.0.00 )
dev-cpp/eigen:3
"
RDEPEND="${DEPEND}"
@@ -69,6 +70,8 @@ src_configure() {
-DPKG_GRANULAR=ON
-DPKG_KSPACE=ON
-DFFT=FFTW3
+ -DPKG_KOKKOS=$(usex kokkos)
+ $(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
-DPKG_MANYBODY=ON
-DPKG_MC=ON
-DPKG_MEAM=ON
diff --git a/sci-physics/lammps/metadata.xml b/sci-physics/lammps/metadata.xml
index be0e36d7abe..274aacacf7b 100644
--- a/sci-physics/lammps/metadata.xml
+++ b/sci-physics/lammps/metadata.xml
@@ -20,6 +20,7 @@
call instead of malloc() when large chunks or memory are allocated
by LAMMPS. Aliengnment is on 16 byte boundaries.</flag>
<flag name="cuda">Enable cuda non-bonded kernels</flag>
+ <flag name="kokkos">Enable kokkos non-bonded kernels</flag>
</use>
<maintainer type="person">
<email>nicolasbock@gentoo.org</email>
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2020-04-20 1:51 Christoph Junghans
0 siblings, 0 replies; 80+ messages in thread
From: Christoph Junghans @ 2020-04-20 1:51 UTC (permalink / raw
To: gentoo-commits
commit: 4af2eadb0a2508ab22bfba286961fd29adb9e2c4
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Mon Apr 20 01:50:32 2020 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Mon Apr 20 01:50:58 2020 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=4af2eadb
sci-physics/lammps: fix deps
Package-Manager: Portage-2.3.89, Repoman-2.3.20
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>
sci-physics/lammps/lammps-20200303.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20200303.ebuild b/sci-physics/lammps/lammps-20200303.ebuild
index b159bd9a946..d27137f6fee 100644
--- a/sci-physics/lammps/lammps-20200303.ebuild
+++ b/sci-physics/lammps/lammps-20200303.ebuild
@@ -41,7 +41,7 @@ DEPEND="
sci-libs/fftw:3.0
netcdf? ( sci-libs/netcdf )
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- kokkos? ( >=dev-cpp/kokkos-3.0.00 )
+ kokkos? ( =dev-cpp/kokkos-3.0* )
dev-cpp/eigen:3
"
RDEPEND="${DEPEND}"
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2020-05-07 15:17 Michał Górny
0 siblings, 0 replies; 80+ messages in thread
From: Michał Górny @ 2020-05-07 15:17 UTC (permalink / raw
To: gentoo-commits
commit: b7369ec338188d4095e133856063e54bc3dc97ec
Author: Michał Górny <mgorny <AT> gentoo <DOT> org>
AuthorDate: Thu May 7 15:15:40 2020 +0000
Commit: Michał Górny <mgorny <AT> gentoo <DOT> org>
CommitDate: Thu May 7 15:15:40 2020 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=b7369ec3
sci-physics/lammps: Remove py2.7
Signed-off-by: Michał Górny <mgorny <AT> gentoo.org>
sci-physics/lammps/lammps-20180117.ebuild | 2 +-
sci-physics/lammps/lammps-20180222.ebuild | 2 +-
sci-physics/lammps/lammps-20180308.ebuild | 2 +-
sci-physics/lammps/lammps-20180316.ebuild | 2 +-
sci-physics/lammps/lammps-20180822.ebuild | 2 +-
sci-physics/lammps/lammps-20181212.ebuild | 2 +-
sci-physics/lammps/lammps-20190605.ebuild | 2 +-
sci-physics/lammps/lammps-20190807.ebuild | 2 +-
8 files changed, 8 insertions(+), 8 deletions(-)
diff --git a/sci-physics/lammps/lammps-20180117.ebuild b/sci-physics/lammps/lammps-20180117.ebuild
index 1efe9382d5a..61fd0f7d470 100644
--- a/sci-physics/lammps/lammps-20180117.ebuild
+++ b/sci-physics/lammps/lammps-20180117.ebuild
@@ -3,7 +3,7 @@
EAPI=6
-PYTHON_COMPAT=( python{2_7,3_6} )
+PYTHON_COMPAT=( python3_6 )
inherit cmake-utils fortran-2 python-r1
diff --git a/sci-physics/lammps/lammps-20180222.ebuild b/sci-physics/lammps/lammps-20180222.ebuild
index 1efe9382d5a..61fd0f7d470 100644
--- a/sci-physics/lammps/lammps-20180222.ebuild
+++ b/sci-physics/lammps/lammps-20180222.ebuild
@@ -3,7 +3,7 @@
EAPI=6
-PYTHON_COMPAT=( python{2_7,3_6} )
+PYTHON_COMPAT=( python3_6 )
inherit cmake-utils fortran-2 python-r1
diff --git a/sci-physics/lammps/lammps-20180308.ebuild b/sci-physics/lammps/lammps-20180308.ebuild
index 1efe9382d5a..61fd0f7d470 100644
--- a/sci-physics/lammps/lammps-20180308.ebuild
+++ b/sci-physics/lammps/lammps-20180308.ebuild
@@ -3,7 +3,7 @@
EAPI=6
-PYTHON_COMPAT=( python{2_7,3_6} )
+PYTHON_COMPAT=( python3_6 )
inherit cmake-utils fortran-2 python-r1
diff --git a/sci-physics/lammps/lammps-20180316.ebuild b/sci-physics/lammps/lammps-20180316.ebuild
index 697741932d3..81370f4910c 100644
--- a/sci-physics/lammps/lammps-20180316.ebuild
+++ b/sci-physics/lammps/lammps-20180316.ebuild
@@ -3,7 +3,7 @@
EAPI=6
-PYTHON_COMPAT=( python{2_7,3_6} )
+PYTHON_COMPAT=( python3_6 )
inherit cmake-utils fortran-2 python-r1
diff --git a/sci-physics/lammps/lammps-20180822.ebuild b/sci-physics/lammps/lammps-20180822.ebuild
index 3fd1530dbe2..7cb2d746322 100644
--- a/sci-physics/lammps/lammps-20180822.ebuild
+++ b/sci-physics/lammps/lammps-20180822.ebuild
@@ -3,7 +3,7 @@
EAPI=6
-PYTHON_COMPAT=( python{2_7,3_6} )
+PYTHON_COMPAT=( python3_6 )
inherit cmake-utils fortran-2 python-r1
diff --git a/sci-physics/lammps/lammps-20181212.ebuild b/sci-physics/lammps/lammps-20181212.ebuild
index 2e38859a473..b6316498672 100644
--- a/sci-physics/lammps/lammps-20181212.ebuild
+++ b/sci-physics/lammps/lammps-20181212.ebuild
@@ -3,7 +3,7 @@
EAPI=6
-PYTHON_COMPAT=( python{2_7,3_6} )
+PYTHON_COMPAT=( python3_6 )
inherit cmake-utils fortran-2 python-r1
diff --git a/sci-physics/lammps/lammps-20190605.ebuild b/sci-physics/lammps/lammps-20190605.ebuild
index dedd35befb9..c09f35787c0 100644
--- a/sci-physics/lammps/lammps-20190605.ebuild
+++ b/sci-physics/lammps/lammps-20190605.ebuild
@@ -3,7 +3,7 @@
EAPI=6
-PYTHON_COMPAT=( python{2_7,3_6} )
+PYTHON_COMPAT=( python3_6 )
inherit cmake-utils fortran-2 python-r1
diff --git a/sci-physics/lammps/lammps-20190807.ebuild b/sci-physics/lammps/lammps-20190807.ebuild
index 3d0378efcb4..1b0598ab8f6 100644
--- a/sci-physics/lammps/lammps-20190807.ebuild
+++ b/sci-physics/lammps/lammps-20190807.ebuild
@@ -3,7 +3,7 @@
EAPI=6
-PYTHON_COMPAT=( python{2_7,3_6} )
+PYTHON_COMPAT=( python3_6 )
inherit cmake-utils fortran-2 python-r1
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2020-07-27 23:36 Sam James
0 siblings, 0 replies; 80+ messages in thread
From: Sam James @ 2020-07-27 23:36 UTC (permalink / raw
To: gentoo-commits
commit: 43520dac1f888765b1301066757961fc1a4d0fd9
Author: Sam James <sam <AT> gentoo <DOT> org>
AuthorDate: Mon Jul 27 23:36:08 2020 +0000
Commit: Sam James <sam <AT> gentoo <DOT> org>
CommitDate: Mon Jul 27 23:36:08 2020 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=43520dac
sci-physics/lammps: x86 stable (bug #721420)
Package-Manager: Portage-3.0.1, Repoman-2.3.23
Signed-off-by: Sam James <sam <AT> gentoo.org>
sci-physics/lammps/lammps-20200303.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20200303.ebuild b/sci-physics/lammps/lammps-20200303.ebuild
index d27137f6fee..2324517171a 100644
--- a/sci-physics/lammps/lammps-20200303.ebuild
+++ b/sci-physics/lammps/lammps-20200303.ebuild
@@ -22,7 +22,7 @@ SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="~amd64 ~x86"
+KEYWORDS="~amd64 x86"
IUSE="cuda examples gzip kokkos lammps-memalign mpi netcdf python test"
RESTRICT="!test? ( test )"
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2020-08-08 1:25 Sam James
0 siblings, 0 replies; 80+ messages in thread
From: Sam James @ 2020-08-08 1:25 UTC (permalink / raw
To: gentoo-commits
commit: 243bd77bcae07f56171972957b0a4415012fbad9
Author: Sam James <sam <AT> gentoo <DOT> org>
AuthorDate: Sat Aug 8 01:23:41 2020 +0000
Commit: Sam James <sam <AT> gentoo <DOT> org>
CommitDate: Sat Aug 8 01:23:41 2020 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=243bd77b
sci-physics/lammps: Stabilize 20200303 amd64, #721420
Signed-off-by: Sam James <sam <AT> gentoo.org>
sci-physics/lammps/lammps-20200303.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20200303.ebuild b/sci-physics/lammps/lammps-20200303.ebuild
index 2324517171a..aa161200f77 100644
--- a/sci-physics/lammps/lammps-20200303.ebuild
+++ b/sci-physics/lammps/lammps-20200303.ebuild
@@ -22,7 +22,7 @@ SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="~amd64 x86"
+KEYWORDS="amd64 x86"
IUSE="cuda examples gzip kokkos lammps-memalign mpi netcdf python test"
RESTRICT="!test? ( test )"
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2021-04-13 19:12 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2021-04-13 19:12 UTC (permalink / raw
To: gentoo-commits
commit: 5fd25e7e29bc484b8cbfd4e8c147f14ac1492985
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Tue Apr 13 18:52:18 2021 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Tue Apr 13 19:11:47 2021 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5fd25e7e
Update lammps ebuild
- Update EAPI to 7
- Migrate to `cmake` eclass
- Add support for Python 3.8
Closes: https://github.com/gentoo/gentoo/pull/20369
Signed-off-by: Nicolas Bock <nicolasbock <AT> gentoo.org>
sci-physics/lammps/lammps-20200303-r1.ebuild | 134 +++++++++++++++++++++++++++
1 file changed, 134 insertions(+)
diff --git a/sci-physics/lammps/lammps-20200303-r1.ebuild b/sci-physics/lammps/lammps-20200303-r1.ebuild
new file mode 100644
index 00000000000..9d05fe4aa87
--- /dev/null
+++ b/sci-physics/lammps/lammps-20200303-r1.ebuild
@@ -0,0 +1,134 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+PYTHON_COMPAT=( python3_{6,7,8} )
+CMAKE_MAKEFILE_GENERATOR=emake
+
+inherit cmake fortran-2 python-r1
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="stable_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz
+ test? ( https://github.com/lammps/lammps-testing/archive/${MY_PV}.tar.gz -> ${PN}-testing-${MY_PV}.tar.gz )"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples gzip kokkos lammps-memalign mpi netcdf python test"
+RESTRICT="!test? ( test )"
+
+DEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0
+ netcdf? ( sci-libs/netcdf )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
+ kokkos? ( =dev-cpp/kokkos-3.0* )
+ dev-cpp/eigen:3
+ "
+RDEPEND="${DEPEND}"
+
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+S="${WORKDIR}/${MY_P}/cmake"
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DBUILD_LIB=ON
+ -DPKG_GPU=$(usex cuda)
+ -DGPU_API=CUDA
+ -DENABLE_TESTING=$(usex test)
+ -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_KOKKOS=$(usex kokkos)
+ $(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REAX=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SNAP=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=ON
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ -DPKG_USER-ATC=ON
+ -DPKG_USER-AWPMD=ON
+ -DPKG_USER-CGDNA=ON
+ -DPKG_USER-CGSDK=ON
+ -DPKG_USER-COLVARS=ON
+ -DPKG_USER-DIFFRACTION=ON
+ -DPKG_USER-DPD=ON
+ -DPKG_USER-DRUDE=ON
+ -DPKG_USER-EFF=ON
+ -DPKG_USER-FEP=ON
+ -DPKG_USER-H5MD=$(usex mpi)
+ -DPKG_USER-LB=$(usex mpi)
+ -DPKG_USER-MANIFOLD=ON
+ -DPKG_USER-MEAMC=ON
+ -DPKG_USER-MGPT=ON
+ -DPKG_USER-MISC=ON
+ -DPKG_USER-MOLFILE=ON
+ -DPKG_USER-NETCDF=$(usex netcdf)
+ -DPKG_USER-PHONON=ON
+ -DPKG_USER-QTB=ON
+ -DPKG_USER-REAXC=ON
+ -DPKG_USER-SMD=ON
+ -DPKG_USER-SMTBQ=ON
+ -DPKG_USER-SPH=ON
+ -DPKG_USER-TALLY=ON
+ )
+ cmake_src_configure
+}
+
+src_install() {
+ cmake_src_install
+
+ # Install python script.
+ use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2021-04-18 1:44 Sam James
0 siblings, 0 replies; 80+ messages in thread
From: Sam James @ 2021-04-18 1:44 UTC (permalink / raw
To: gentoo-commits
commit: 7f9b84794e1a8948f270e7ed808f3911ecc6bc4e
Author: Sam James <sam <AT> gentoo <DOT> org>
AuthorDate: Sun Apr 18 01:42:42 2021 +0000
Commit: Sam James <sam <AT> gentoo <DOT> org>
CommitDate: Sun Apr 18 01:42:42 2021 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=7f9b8479
sci-physics/lammps: Stabilize 20200303-r1 amd64, #783258
Signed-off-by: Sam James <sam <AT> gentoo.org>
sci-physics/lammps/lammps-20200303-r1.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20200303-r1.ebuild b/sci-physics/lammps/lammps-20200303-r1.ebuild
index 3c647387cf0..750459af939 100644
--- a/sci-physics/lammps/lammps-20200303-r1.ebuild
+++ b/sci-physics/lammps/lammps-20200303-r1.ebuild
@@ -23,7 +23,7 @@ SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="~amd64 x86"
+KEYWORDS="amd64 x86"
IUSE="cuda examples gzip kokkos lammps-memalign mpi netcdf python test"
RESTRICT="!test? ( test )"
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2021-04-18 7:05 Michał Górny
0 siblings, 0 replies; 80+ messages in thread
From: Michał Górny @ 2021-04-18 7:05 UTC (permalink / raw
To: gentoo-commits
commit: 54005446760ee91f203143d546e0bb4c3869054f
Author: Michał Górny <mgorny <AT> gentoo <DOT> org>
AuthorDate: Sun Apr 18 06:57:05 2021 +0000
Commit: Michał Górny <mgorny <AT> gentoo <DOT> org>
CommitDate: Sun Apr 18 07:05:49 2021 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=54005446
sci-physics/lammps: Remove old
Signed-off-by: Michał Górny <mgorny <AT> gentoo.org>
sci-physics/lammps/lammps-20200303.ebuild | 133 ------------------------------
1 file changed, 133 deletions(-)
diff --git a/sci-physics/lammps/lammps-20200303.ebuild b/sci-physics/lammps/lammps-20200303.ebuild
deleted file mode 100644
index aa161200f77..00000000000
--- a/sci-physics/lammps/lammps-20200303.ebuild
+++ /dev/null
@@ -1,133 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python3_{6,7} )
-
-inherit cmake-utils fortran-2 python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="stable_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz
- test? ( https://github.com/lammps/lammps-testing/archive/${MY_PV}.tar.gz -> ${PN}-testing-${MY_PV}.tar.gz )"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 x86"
-IUSE="cuda examples gzip kokkos lammps-memalign mpi netcdf python test"
-RESTRICT="!test? ( test )"
-
-DEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0
- netcdf? ( sci-libs/netcdf )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- kokkos? ( =dev-cpp/kokkos-3.0* )
- dev-cpp/eigen:3
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}/cmake"
-
-src_configure() {
- local mycmakeargs=(
- -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
- -DBUILD_SHARED_LIBS=ON
- -DBUILD_MPI=$(usex mpi)
- -DBUILD_LIB=ON
- -DPKG_GPU=$(usex cuda)
- -DGPU_API=CUDA
- -DENABLE_TESTING=$(usex test)
- -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*)
- -DPKG_ASPHERE=ON
- -DPKG_BODY=ON
- -DPKG_CLASS2=ON
- -DPKG_COLLOID=ON
- -DPKG_COMPRESS=ON
- -DPKG_CORESHELL=ON
- -DPKG_DIPOLE=ON
- -DPKG_GRANULAR=ON
- -DPKG_KSPACE=ON
- -DFFT=FFTW3
- -DPKG_KOKKOS=$(usex kokkos)
- $(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
- -DPKG_MANYBODY=ON
- -DPKG_MC=ON
- -DPKG_MEAM=ON
- -DPKG_MISC=ON
- -DPKG_MOLECULE=ON
- -DPKG_PERI=ON
- -DPKG_QEQ=ON
- -DPKG_REAX=ON
- -DPKG_REPLICA=ON
- -DPKG_RIGID=ON
- -DPKG_SHOCK=ON
- -DPKG_SNAP=ON
- -DPKG_SRD=ON
- -DPKG_PYTHON=ON
- -DPKG_MPIIO=$(usex mpi)
- -DPKG_VORONOI=ON
- -DPKG_USER-ATC=ON
- -DPKG_USER-AWPMD=ON
- -DPKG_USER-CGDNA=ON
- -DPKG_USER-CGSDK=ON
- -DPKG_USER-COLVARS=ON
- -DPKG_USER-DIFFRACTION=ON
- -DPKG_USER-DPD=ON
- -DPKG_USER-DRUDE=ON
- -DPKG_USER-EFF=ON
- -DPKG_USER-FEP=ON
- -DPKG_USER-H5MD=$(usex mpi)
- -DPKG_USER-LB=$(usex mpi)
- -DPKG_USER-MANIFOLD=ON
- -DPKG_USER-MEAMC=ON
- -DPKG_USER-MGPT=ON
- -DPKG_USER-MISC=ON
- -DPKG_USER-MOLFILE=ON
- -DPKG_USER-NETCDF=$(usex netcdf)
- -DPKG_USER-PHONON=ON
- -DPKG_USER-QTB=ON
- -DPKG_USER-REAXC=ON
- -DPKG_USER-SMD=ON
- -DPKG_USER-SMTBQ=ON
- -DPKG_USER-SPH=ON
- -DPKG_USER-TALLY=ON
- )
- cmake-utils_src_configure
-}
-
-src_install() {
- cmake-utils_src_install
-
- # Install python script.
- use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2021-09-26 18:11 Arthur Zamarin
0 siblings, 0 replies; 80+ messages in thread
From: Arthur Zamarin @ 2021-09-26 18:11 UTC (permalink / raw
To: gentoo-commits
commit: ab14e6ce21f4a8988acdef0f90039715a42aacae
Author: Arthur Zamarin <arthurzam <AT> gentoo <DOT> org>
AuthorDate: Sun Sep 26 18:10:51 2021 +0000
Commit: Arthur Zamarin <arthurzam <AT> gentoo <DOT> org>
CommitDate: Sun Sep 26 18:10:51 2021 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=ab14e6ce
sci-physics/lammps: enable py3.9, enable py3.10
Signed-off-by: Arthur Zamarin <arthurzam <AT> gentoo.org>
sci-physics/lammps/lammps-20200303-r1.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20200303-r1.ebuild b/sci-physics/lammps/lammps-20200303-r1.ebuild
index 750459af939..dbf42732cb2 100644
--- a/sci-physics/lammps/lammps-20200303-r1.ebuild
+++ b/sci-physics/lammps/lammps-20200303-r1.ebuild
@@ -3,7 +3,7 @@
EAPI=7
-PYTHON_COMPAT=( python3_{6,7,8} )
+PYTHON_COMPAT=( python3_{8..10} )
CMAKE_MAKEFILE_GENERATOR=emake
inherit cmake fortran-2 python-r1
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2021-12-28 22:00 Sam James
0 siblings, 0 replies; 80+ messages in thread
From: Sam James @ 2021-12-28 22:00 UTC (permalink / raw
To: gentoo-commits
commit: a906254ca58be909631a029464aebfdb0fea5f7b
Author: Sam James <sam <AT> gentoo <DOT> org>
AuthorDate: Tue Dec 28 21:56:47 2021 +0000
Commit: Sam James <sam <AT> gentoo <DOT> org>
CommitDate: Tue Dec 28 22:00:43 2021 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a906254c
sci-physics/lammps: depend on netcdf subslot
need to be rebuilt when its subslot changes
Signed-off-by: Sam James <sam <AT> gentoo.org>
.../lammps/{lammps-20200303-r1.ebuild => lammps-20200303-r2.ebuild} | 6 +++---
1 file changed, 3 insertions(+), 3 deletions(-)
diff --git a/sci-physics/lammps/lammps-20200303-r1.ebuild b/sci-physics/lammps/lammps-20200303-r2.ebuild
similarity index 97%
rename from sci-physics/lammps/lammps-20200303-r1.ebuild
rename to sci-physics/lammps/lammps-20200303-r2.ebuild
index dbf42732cb2b..b58daf2ca70a 100644
--- a/sci-physics/lammps/lammps-20200303-r1.ebuild
+++ b/sci-physics/lammps/lammps-20200303-r2.ebuild
@@ -33,14 +33,14 @@ DEPEND="
sys-libs/zlib
mpi? (
virtual/mpi
- sci-libs/hdf5[mpi]
+ sci-libs/hdf5:=[mpi]
)
python? ( ${PYTHON_DEPS} )
sci-libs/voro++
virtual/blas
virtual/lapack
- sci-libs/fftw:3.0
- netcdf? ( sci-libs/netcdf )
+ sci-libs/fftw:3.0=
+ netcdf? ( sci-libs/netcdf:= )
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
kokkos? ( =dev-cpp/kokkos-3.0* )
dev-cpp/eigen:3
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2022-03-01 9:27 David Seifert
0 siblings, 0 replies; 80+ messages in thread
From: David Seifert @ 2022-03-01 9:27 UTC (permalink / raw
To: gentoo-commits
commit: 83322d2a2edb18c54bd234d8ab1c5e222769164c
Author: David Seifert <soap <AT> gentoo <DOT> org>
AuthorDate: Tue Mar 1 09:27:53 2022 +0000
Commit: David Seifert <soap <AT> gentoo <DOT> org>
CommitDate: Tue Mar 1 09:27:53 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=83322d2a
sci-physics/lammps: remove USE=kokkos
Signed-off-by: David Seifert <soap <AT> gentoo.org>
sci-physics/lammps/lammps-20200303-r2.ebuild | 9 ++++-----
1 file changed, 4 insertions(+), 5 deletions(-)
diff --git a/sci-physics/lammps/lammps-20200303-r2.ebuild b/sci-physics/lammps/lammps-20200303-r2.ebuild
index b58daf2ca70a..539c056cf969 100644
--- a/sci-physics/lammps/lammps-20200303-r2.ebuild
+++ b/sci-physics/lammps/lammps-20200303-r2.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2021 Gentoo Authors
+# Copyright 1999-2022 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
@@ -24,7 +24,7 @@ SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar
LICENSE="GPL-2"
SLOT="0"
KEYWORDS="amd64 x86"
-IUSE="cuda examples gzip kokkos lammps-memalign mpi netcdf python test"
+IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
RESTRICT="!test? ( test )"
DEPEND="
@@ -42,7 +42,6 @@ DEPEND="
sci-libs/fftw:3.0=
netcdf? ( sci-libs/netcdf:= )
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- kokkos? ( =dev-cpp/kokkos-3.0* )
dev-cpp/eigen:3
"
RDEPEND="${DEPEND}"
@@ -71,8 +70,8 @@ src_configure() {
-DPKG_GRANULAR=ON
-DPKG_KSPACE=ON
-DFFT=FFTW3
- -DPKG_KOKKOS=$(usex kokkos)
- $(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
+ # requires kokkos 3.0
+ -DPKG_KOKKOS=OFF
-DPKG_MANYBODY=ON
-DPKG_MC=ON
-DPKG_MEAM=ON
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2022-03-04 17:38 Andrew Ammerlaan
0 siblings, 0 replies; 80+ messages in thread
From: Andrew Ammerlaan @ 2022-03-04 17:38 UTC (permalink / raw
To: gentoo-commits
commit: d1918a66024dbcb24aa822b3402c6b7b8862070d
Author: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
AuthorDate: Fri Mar 4 17:34:12 2022 +0000
Commit: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
CommitDate: Fri Mar 4 17:38:15 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=d1918a66
sci-physics/lammps: add version 2022 Feb 17
Closes: https://bugs.gentoo.org/834112
Bug: https://bugs.gentoo.org/763189
Bug: https://bugs.gentoo.org/815085
Bug: https://bugs.gentoo.org/659882
Bug: https://bugs.gentoo.org/830693
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Andrew Ammerlaan <andrewammerlaan <AT> gentoo.org>
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20220217.ebuild | 164 ++++++++++++++++++++++++++++++
sci-physics/lammps/metadata.xml | 6 +-
3 files changed, 169 insertions(+), 2 deletions(-)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 4dd18e6d8f56..e5977998434f 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,2 +1,3 @@
+DIST lammps-17Feb2022.tar.gz 170036241 BLAKE2B 74d370657bff17847dce0bbe082134721722574b298832ea37d319968123b12d37ecdfea5560b2776e846c32d05a98f722710327d8da46f80869f75a36f6c255 SHA512 f2df65847906ca5890aae98efed5712eb6dd694f2b85dc062084a02b9bf43412ecd075f54df2947bff71d3b6313c1ec39c437e02497920da795e9ba0cd5dc068
DIST lammps-stable_3Mar2020.tar.gz 126001870 BLAKE2B 35ed6ff208fd6dcc8eae50b8e0562a6a0771aa6419c0225353f648d95512ca64b22250ad4a3f9b836b9a25a6838e24e070a1d190fdc02b896dc1ed9838648f01 SHA512 6608cd9f6ea18d8acb55d611a560cb4b329043b41aca23fafd91fac0dfbde5a5286e1a6563bd16b2414bb3bf95929e3a2f270a0b023ce5ede515eb3353d56f04
DIST lammps-testing-stable_3Mar2020.tar.gz 55729550 BLAKE2B d0de8efa83342b4a350f17a43d3fe96011534b3f410beb295e396a45200ea56298c14664b290b2e30ab4f2fd70b92c01c73927b2878e8171a166dedee8ecf379 SHA512 e3dc592ce57ae625eb66ddd9ca80d7bbaca57c47a07166a7196dcc3074b574a497e706da8baf93b5deacdf588702ceb141014533ac2aaccdd011836fb34943b9
diff --git a/sci-physics/lammps/lammps-20220217.ebuild b/sci-physics/lammps/lammps-20220217.ebuild
new file mode 100644
index 000000000000..56e4a03a5b0f
--- /dev/null
+++ b/sci-physics/lammps/lammps-20220217.ebuild
@@ -0,0 +1,164 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{8..10} )
+DISTUTILS_OPTIONAL=1
+CMAKE_MAKEFILE_GENERATOR=emake
+# Doc building insists on fetching mathjax
+# DOCS_BUILDER="doxygen"
+# DOCS_DEPEND="
+# media-gfx/graphviz
+# dev-libs/mathjax
+# "
+
+inherit cmake fortran-2 distutils-r1 # docs
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz"
+S="${WORKDIR}/${MY_P}/cmake"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64"
+IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
+# Requires write access to /dev/dri/renderD...
+RESTRICT="test"
+
+RDEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5:=[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0=
+ sci-libs/netcdf:=
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
+ opencl? ( virtual/opencl )
+ hip? ( dev-util/hip:= )
+ dev-cpp/eigen:3
+ "
+ # Kokkos-3.5 not in tree atm
+ # kokkos? ( dev-cpp/kokkos-3.5.* )
+DEPEND="${RDEPEND}
+ test? (
+ dev-cpp/gtest
+ )
+"
+
+REQUIRED_USE="
+ python? ( ${PYTHON_REQUIRED_USE} )
+ ?? ( cuda opencl hip )
+"
+
+src_prepare() {
+ cmake_src_prepare
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_prepare
+ popd
+ fi
+}
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DBUILD_DOC=OFF
+ #-DBUILD_DOC=$(usex doc)
+ -DENABLE_TESTING=$(usex test)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_KOKKOS=OFF
+ #-DPKG_KOKKOS=$(usex kokkos)
+ #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=$(usex python)
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ )
+ if use cuda || use opencl || use hip; then
+ mycmakeargs+=( -DPKG_GPU=ON )
+ use cuda && mycmakeargs+=( -DGPU_API=cuda )
+ use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF )
+ use hip && mycmakeargs+=( -DGPU_API=hip )
+ else
+ mycmakeargs+=( -DPKG_GPU=OFF )
+ fi
+ cmake_src_configure
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_configure
+ popd
+ fi
+}
+
+src_compile() {
+ cmake_src_compile
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_compile
+ popd
+ fi
+}
+
+src_test() {
+ cmake_src_test
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_test
+ popd
+ fi
+}
+
+src_install() {
+ cmake_src_install
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_install
+ popd
+ fi
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
diff --git a/sci-physics/lammps/metadata.xml b/sci-physics/lammps/metadata.xml
index 8b13daf09171..8ac470d0f10e 100644
--- a/sci-physics/lammps/metadata.xml
+++ b/sci-physics/lammps/metadata.xml
@@ -19,8 +19,10 @@
<flag name="lammps-memalign">Enables the use of the posix_memalign()
call instead of malloc() when large chunks or memory are allocated
by LAMMPS. Aliengnment is on 16 byte boundaries.</flag>
- <flag name="cuda">Enable cuda non-bonded kernels</flag>
- <flag name="kokkos">Enable kokkos non-bonded kernels</flag>
+ <flag name="cuda">Enable cuda gpu computing support</flag>
+ <flag name="opencl">Enable opencl gpu computing support</flag>
+ <flag name="hip">Enable hip gpu computing support</flag>
+ <!--<flag name="kokkos">Enable kokkos non-bonded kernels</flag>-->
</use>
<maintainer type="person">
<email>nicolasbock@gentoo.org</email>
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2022-03-10 9:04 Jakov Smolić
0 siblings, 0 replies; 80+ messages in thread
From: Jakov Smolić @ 2022-03-10 9:04 UTC (permalink / raw
To: gentoo-commits
commit: 2e1fdc5c063bfe1c0c92e5540145ebd9b4388062
Author: Jakov Smolić <jsmolic <AT> gentoo <DOT> org>
AuthorDate: Thu Mar 10 09:03:50 2022 +0000
Commit: Jakov Smolić <jsmolic <AT> gentoo <DOT> org>
CommitDate: Thu Mar 10 09:03:50 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=2e1fdc5c
sci-physics/lammps: Keyword 20220217 x86, #834867
Signed-off-by: Jakov Smolić <jsmolic <AT> gentoo.org>
sci-physics/lammps/lammps-20220217.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20220217.ebuild b/sci-physics/lammps/lammps-20220217.ebuild
index 56e4a03a5b0f..4f65d7d2fdca 100644
--- a/sci-physics/lammps/lammps-20220217.ebuild
+++ b/sci-physics/lammps/lammps-20220217.ebuild
@@ -30,7 +30,7 @@ S="${WORKDIR}/${MY_P}/cmake"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="~amd64"
+KEYWORDS="~amd64 ~x86"
IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
# Requires write access to /dev/dri/renderD...
RESTRICT="test"
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2022-12-24 18:19 Arthur Zamarin
0 siblings, 0 replies; 80+ messages in thread
From: Arthur Zamarin @ 2022-12-24 18:19 UTC (permalink / raw
To: gentoo-commits
commit: ed0ed3b30bba19aa9bb5b3c16e7ecadafbe56387
Author: Arthur Zamarin <arthurzam <AT> gentoo <DOT> org>
AuthorDate: Sat Dec 24 18:19:29 2022 +0000
Commit: Arthur Zamarin <arthurzam <AT> gentoo <DOT> org>
CommitDate: Sat Dec 24 18:19:29 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=ed0ed3b3
sci-physics/lammps: Stabilize 20220217 amd64, #886977
Signed-off-by: Arthur Zamarin <arthurzam <AT> gentoo.org>
sci-physics/lammps/lammps-20220217.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20220217.ebuild b/sci-physics/lammps/lammps-20220217.ebuild
index bbcd5ceff5d0..f4e9f4f0abb4 100644
--- a/sci-physics/lammps/lammps-20220217.ebuild
+++ b/sci-physics/lammps/lammps-20220217.ebuild
@@ -30,7 +30,7 @@ S="${WORKDIR}/${MY_P}/cmake"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="~amd64 x86"
+KEYWORDS="amd64 x86"
IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
# Requires write access to /dev/dri/renderD...
RESTRICT="test"
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2022-12-24 18:19 Arthur Zamarin
0 siblings, 0 replies; 80+ messages in thread
From: Arthur Zamarin @ 2022-12-24 18:19 UTC (permalink / raw
To: gentoo-commits
commit: 3cfaac7a917e233774a500a5b63461aeffcdb3d2
Author: Arthur Zamarin <arthurzam <AT> gentoo <DOT> org>
AuthorDate: Sat Dec 24 18:19:26 2022 +0000
Commit: Arthur Zamarin <arthurzam <AT> gentoo <DOT> org>
CommitDate: Sat Dec 24 18:19:26 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3cfaac7a
sci-physics/lammps: Stabilize 20220217 x86, #886977
Signed-off-by: Arthur Zamarin <arthurzam <AT> gentoo.org>
sci-physics/lammps/lammps-20220217.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/lammps/lammps-20220217.ebuild b/sci-physics/lammps/lammps-20220217.ebuild
index 4f65d7d2fdca..bbcd5ceff5d0 100644
--- a/sci-physics/lammps/lammps-20220217.ebuild
+++ b/sci-physics/lammps/lammps-20220217.ebuild
@@ -30,7 +30,7 @@ S="${WORKDIR}/${MY_P}/cmake"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="~amd64 ~x86"
+KEYWORDS="~amd64 x86"
IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
# Requires write access to /dev/dri/renderD...
RESTRICT="test"
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2022-12-24 19:13 Andreas Sturmlechner
0 siblings, 0 replies; 80+ messages in thread
From: Andreas Sturmlechner @ 2022-12-24 19:13 UTC (permalink / raw
To: gentoo-commits
commit: 3d76eae3987f9cc7ed49e4c6c84c504f8cb40ef5
Author: Andreas Sturmlechner <asturm <AT> gentoo <DOT> org>
AuthorDate: Sat Dec 24 18:57:05 2022 +0000
Commit: Andreas Sturmlechner <asturm <AT> gentoo <DOT> org>
CommitDate: Sat Dec 24 18:57:05 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3d76eae3
sci-physics/lammps: drop 20200303-r2
Closes: https://bugs.gentoo.org/886977
Signed-off-by: Andreas Sturmlechner <asturm <AT> gentoo.org>
sci-physics/lammps/Manifest | 2 -
sci-physics/lammps/lammps-20200303-r2.ebuild | 133 ---------------------------
2 files changed, 135 deletions(-)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index e5977998434f..0ba9f3103b2d 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,3 +1 @@
DIST lammps-17Feb2022.tar.gz 170036241 BLAKE2B 74d370657bff17847dce0bbe082134721722574b298832ea37d319968123b12d37ecdfea5560b2776e846c32d05a98f722710327d8da46f80869f75a36f6c255 SHA512 f2df65847906ca5890aae98efed5712eb6dd694f2b85dc062084a02b9bf43412ecd075f54df2947bff71d3b6313c1ec39c437e02497920da795e9ba0cd5dc068
-DIST lammps-stable_3Mar2020.tar.gz 126001870 BLAKE2B 35ed6ff208fd6dcc8eae50b8e0562a6a0771aa6419c0225353f648d95512ca64b22250ad4a3f9b836b9a25a6838e24e070a1d190fdc02b896dc1ed9838648f01 SHA512 6608cd9f6ea18d8acb55d611a560cb4b329043b41aca23fafd91fac0dfbde5a5286e1a6563bd16b2414bb3bf95929e3a2f270a0b023ce5ede515eb3353d56f04
-DIST lammps-testing-stable_3Mar2020.tar.gz 55729550 BLAKE2B d0de8efa83342b4a350f17a43d3fe96011534b3f410beb295e396a45200ea56298c14664b290b2e30ab4f2fd70b92c01c73927b2878e8171a166dedee8ecf379 SHA512 e3dc592ce57ae625eb66ddd9ca80d7bbaca57c47a07166a7196dcc3074b574a497e706da8baf93b5deacdf588702ceb141014533ac2aaccdd011836fb34943b9
diff --git a/sci-physics/lammps/lammps-20200303-r2.ebuild b/sci-physics/lammps/lammps-20200303-r2.ebuild
deleted file mode 100644
index 539c056cf969..000000000000
--- a/sci-physics/lammps/lammps-20200303-r2.ebuild
+++ /dev/null
@@ -1,133 +0,0 @@
-# Copyright 1999-2022 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-PYTHON_COMPAT=( python3_{8..10} )
-CMAKE_MAKEFILE_GENERATOR=emake
-
-inherit cmake fortran-2 python-r1
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="stable_$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz
- test? ( https://github.com/lammps/lammps-testing/archive/${MY_PV}.tar.gz -> ${PN}-testing-${MY_PV}.tar.gz )"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 x86"
-IUSE="cuda examples gzip lammps-memalign mpi netcdf python test"
-RESTRICT="!test? ( test )"
-
-DEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5:=[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0=
- netcdf? ( sci-libs/netcdf:= )
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
- dev-cpp/eigen:3
- "
-RDEPEND="${DEPEND}"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-S="${WORKDIR}/${MY_P}/cmake"
-
-src_configure() {
- local mycmakeargs=(
- -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
- -DBUILD_SHARED_LIBS=ON
- -DBUILD_MPI=$(usex mpi)
- -DBUILD_LIB=ON
- -DPKG_GPU=$(usex cuda)
- -DGPU_API=CUDA
- -DENABLE_TESTING=$(usex test)
- -DLAMMPS_TESTING_SOURCE_DIR=$(echo "${WORKDIR}"/lammps-testing-*)
- -DPKG_ASPHERE=ON
- -DPKG_BODY=ON
- -DPKG_CLASS2=ON
- -DPKG_COLLOID=ON
- -DPKG_COMPRESS=ON
- -DPKG_CORESHELL=ON
- -DPKG_DIPOLE=ON
- -DPKG_GRANULAR=ON
- -DPKG_KSPACE=ON
- -DFFT=FFTW3
- # requires kokkos 3.0
- -DPKG_KOKKOS=OFF
- -DPKG_MANYBODY=ON
- -DPKG_MC=ON
- -DPKG_MEAM=ON
- -DPKG_MISC=ON
- -DPKG_MOLECULE=ON
- -DPKG_PERI=ON
- -DPKG_QEQ=ON
- -DPKG_REAX=ON
- -DPKG_REPLICA=ON
- -DPKG_RIGID=ON
- -DPKG_SHOCK=ON
- -DPKG_SNAP=ON
- -DPKG_SRD=ON
- -DPKG_PYTHON=ON
- -DPKG_MPIIO=$(usex mpi)
- -DPKG_VORONOI=ON
- -DPKG_USER-ATC=ON
- -DPKG_USER-AWPMD=ON
- -DPKG_USER-CGDNA=ON
- -DPKG_USER-CGSDK=ON
- -DPKG_USER-COLVARS=ON
- -DPKG_USER-DIFFRACTION=ON
- -DPKG_USER-DPD=ON
- -DPKG_USER-DRUDE=ON
- -DPKG_USER-EFF=ON
- -DPKG_USER-FEP=ON
- -DPKG_USER-H5MD=$(usex mpi)
- -DPKG_USER-LB=$(usex mpi)
- -DPKG_USER-MANIFOLD=ON
- -DPKG_USER-MEAMC=ON
- -DPKG_USER-MGPT=ON
- -DPKG_USER-MISC=ON
- -DPKG_USER-MOLFILE=ON
- -DPKG_USER-NETCDF=$(usex netcdf)
- -DPKG_USER-PHONON=ON
- -DPKG_USER-QTB=ON
- -DPKG_USER-REAXC=ON
- -DPKG_USER-SMD=ON
- -DPKG_USER-SMTBQ=ON
- -DPKG_USER-SPH=ON
- -DPKG_USER-TALLY=ON
- )
- cmake_src_configure
-}
-
-src_install() {
- cmake_src_install
-
- # Install python script.
- use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2023-05-03 18:06 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2023-05-03 18:06 UTC (permalink / raw
To: gentoo-commits
commit: 6e6f9189b9545624034ce59db619b8455a8a65d7
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Wed May 3 17:20:22 2023 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Wed May 3 18:06:26 2023 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=6e6f9189
sci-physics/lammps: Version bump to 20220623
Also bump supported Python version to 3.11.
Closes: https://bugs.gentoo.org/897240
Signed-off-by: Nicolas Bock <nicolasbock <AT> gentoo.org>
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20220217-r1.ebuild | 166 +++++++++++++++++++++++++++
sci-physics/lammps/lammps-20220623.ebuild | 166 +++++++++++++++++++++++++++
3 files changed, 333 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 0ba9f3103b2d..d0aa38862c96 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1 +1,2 @@
DIST lammps-17Feb2022.tar.gz 170036241 BLAKE2B 74d370657bff17847dce0bbe082134721722574b298832ea37d319968123b12d37ecdfea5560b2776e846c32d05a98f722710327d8da46f80869f75a36f6c255 SHA512 f2df65847906ca5890aae98efed5712eb6dd694f2b85dc062084a02b9bf43412ecd075f54df2947bff71d3b6313c1ec39c437e02497920da795e9ba0cd5dc068
+DIST lammps-23Jun2022.tar.gz 181439760 BLAKE2B b8012417257527820a4f37dbd300d3f949e3768fc7ae669c49bc7ea0cdc30b28512cb3ee25d375394184bbf1371763da6c3556b2d600f060b754816c589197bf SHA512 e882cb8a83a90b17471cd5c79b2b724378a28642b82511c695a36c0d9a0feb63681b29171c5bfb0bcb218ea3a1a5e4f00fdb8e6ce5f0fc8aed1fa83680cd3a34
diff --git a/sci-physics/lammps/lammps-20220217-r1.ebuild b/sci-physics/lammps/lammps-20220217-r1.ebuild
new file mode 100644
index 000000000000..0c599b37fc74
--- /dev/null
+++ b/sci-physics/lammps/lammps-20220217-r1.ebuild
@@ -0,0 +1,166 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{9..11} )
+DISTUTILS_OPTIONAL=1
+DISTUTILS_USE_PEP517=setuptools
+CMAKE_MAKEFILE_GENERATOR=emake
+# Doc building insists on fetching mathjax
+# DOCS_BUILDER="doxygen"
+# DOCS_DEPEND="
+# media-gfx/graphviz
+# dev-libs/mathjax
+# "
+
+inherit cmake fortran-2 distutils-r1 # docs
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz"
+S="${WORKDIR}/${MY_P}/cmake"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="amd64 x86"
+IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
+# Requires write access to /dev/dri/renderD...
+RESTRICT="test"
+
+RDEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5:=[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0=
+ sci-libs/netcdf:=
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
+ opencl? ( virtual/opencl )
+ hip? ( dev-util/hip:= )
+ dev-cpp/eigen:3
+ "
+ # Kokkos-3.5 not in tree atm
+ # kokkos? ( dev-cpp/kokkos-3.5.* )
+BDEPEND="${DISTUTILS_DEPS}"
+DEPEND="${RDEPEND}
+ test? (
+ dev-cpp/gtest
+ )
+"
+
+REQUIRED_USE="
+ python? ( ${PYTHON_REQUIRED_USE} )
+ ?? ( cuda opencl hip )
+"
+
+src_prepare() {
+ cmake_src_prepare
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_prepare
+ popd
+ fi
+}
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DBUILD_DOC=OFF
+ #-DBUILD_DOC=$(usex doc)
+ -DENABLE_TESTING=$(usex test)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_KOKKOS=OFF
+ #-DPKG_KOKKOS=$(usex kokkos)
+ #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=$(usex python)
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ )
+ if use cuda || use opencl || use hip; then
+ mycmakeargs+=( -DPKG_GPU=ON )
+ use cuda && mycmakeargs+=( -DGPU_API=cuda )
+ use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF )
+ use hip && mycmakeargs+=( -DGPU_API=hip )
+ else
+ mycmakeargs+=( -DPKG_GPU=OFF )
+ fi
+ cmake_src_configure
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_configure
+ popd
+ fi
+}
+
+src_compile() {
+ cmake_src_compile
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_compile
+ popd
+ fi
+}
+
+src_test() {
+ cmake_src_test
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_test
+ popd
+ fi
+}
+
+src_install() {
+ cmake_src_install
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_install
+ popd
+ fi
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
diff --git a/sci-physics/lammps/lammps-20220623.ebuild b/sci-physics/lammps/lammps-20220623.ebuild
new file mode 100644
index 000000000000..0c599b37fc74
--- /dev/null
+++ b/sci-physics/lammps/lammps-20220623.ebuild
@@ -0,0 +1,166 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{9..11} )
+DISTUTILS_OPTIONAL=1
+DISTUTILS_USE_PEP517=setuptools
+CMAKE_MAKEFILE_GENERATOR=emake
+# Doc building insists on fetching mathjax
+# DOCS_BUILDER="doxygen"
+# DOCS_DEPEND="
+# media-gfx/graphviz
+# dev-libs/mathjax
+# "
+
+inherit cmake fortran-2 distutils-r1 # docs
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz"
+S="${WORKDIR}/${MY_P}/cmake"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="amd64 x86"
+IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
+# Requires write access to /dev/dri/renderD...
+RESTRICT="test"
+
+RDEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5:=[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0=
+ sci-libs/netcdf:=
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
+ opencl? ( virtual/opencl )
+ hip? ( dev-util/hip:= )
+ dev-cpp/eigen:3
+ "
+ # Kokkos-3.5 not in tree atm
+ # kokkos? ( dev-cpp/kokkos-3.5.* )
+BDEPEND="${DISTUTILS_DEPS}"
+DEPEND="${RDEPEND}
+ test? (
+ dev-cpp/gtest
+ )
+"
+
+REQUIRED_USE="
+ python? ( ${PYTHON_REQUIRED_USE} )
+ ?? ( cuda opencl hip )
+"
+
+src_prepare() {
+ cmake_src_prepare
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_prepare
+ popd
+ fi
+}
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DBUILD_DOC=OFF
+ #-DBUILD_DOC=$(usex doc)
+ -DENABLE_TESTING=$(usex test)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_KOKKOS=OFF
+ #-DPKG_KOKKOS=$(usex kokkos)
+ #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=$(usex python)
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ )
+ if use cuda || use opencl || use hip; then
+ mycmakeargs+=( -DPKG_GPU=ON )
+ use cuda && mycmakeargs+=( -DGPU_API=cuda )
+ use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF )
+ use hip && mycmakeargs+=( -DGPU_API=hip )
+ else
+ mycmakeargs+=( -DPKG_GPU=OFF )
+ fi
+ cmake_src_configure
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_configure
+ popd
+ fi
+}
+
+src_compile() {
+ cmake_src_compile
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_compile
+ popd
+ fi
+}
+
+src_test() {
+ cmake_src_test
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_test
+ popd
+ fi
+}
+
+src_install() {
+ cmake_src_install
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_install
+ popd
+ fi
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2023-05-05 18:00 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2023-05-05 18:00 UTC (permalink / raw
To: gentoo-commits
commit: 92b72f2a55132f8f982f4b38bdfa882813718d34
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Fri May 5 17:37:38 2023 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Fri May 5 18:00:27 2023 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=92b72f2a
sci-physics/lammps: Version bump 28Mar2023
Signed-off-by: Nicolas Bock <nicolasbock <AT> gentoo.org>
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20230328.ebuild | 166 ++++++++++++++++++++++++++++++
2 files changed, 167 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index d0aa38862c96..4eb7af332440 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,2 +1,3 @@
DIST lammps-17Feb2022.tar.gz 170036241 BLAKE2B 74d370657bff17847dce0bbe082134721722574b298832ea37d319968123b12d37ecdfea5560b2776e846c32d05a98f722710327d8da46f80869f75a36f6c255 SHA512 f2df65847906ca5890aae98efed5712eb6dd694f2b85dc062084a02b9bf43412ecd075f54df2947bff71d3b6313c1ec39c437e02497920da795e9ba0cd5dc068
DIST lammps-23Jun2022.tar.gz 181439760 BLAKE2B b8012417257527820a4f37dbd300d3f949e3768fc7ae669c49bc7ea0cdc30b28512cb3ee25d375394184bbf1371763da6c3556b2d600f060b754816c589197bf SHA512 e882cb8a83a90b17471cd5c79b2b724378a28642b82511c695a36c0d9a0feb63681b29171c5bfb0bcb218ea3a1a5e4f00fdb8e6ce5f0fc8aed1fa83680cd3a34
+DIST lammps-28Mar2023.tar.gz 187946133 BLAKE2B 87f8ffaefd9a5b4cb7a286157d6c7808d899bf738b42a1e82af257fdafa2cf6ed2ce216d0534fb762882130efea9a5f2566ca5282fb7ef95f028d2839be59eaa SHA512 2999d8311ff83612a0da82e2453e8b25dcb2af56005382725b6fd5ed9e7f61e9ae506d04cc3c587ce75f1e2346e7f2ec05eada6351dad7abee1bc25161851682
diff --git a/sci-physics/lammps/lammps-20230328.ebuild b/sci-physics/lammps/lammps-20230328.ebuild
new file mode 100644
index 000000000000..0c599b37fc74
--- /dev/null
+++ b/sci-physics/lammps/lammps-20230328.ebuild
@@ -0,0 +1,166 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{9..11} )
+DISTUTILS_OPTIONAL=1
+DISTUTILS_USE_PEP517=setuptools
+CMAKE_MAKEFILE_GENERATOR=emake
+# Doc building insists on fetching mathjax
+# DOCS_BUILDER="doxygen"
+# DOCS_DEPEND="
+# media-gfx/graphviz
+# dev-libs/mathjax
+# "
+
+inherit cmake fortran-2 distutils-r1 # docs
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz"
+S="${WORKDIR}/${MY_P}/cmake"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="amd64 x86"
+IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
+# Requires write access to /dev/dri/renderD...
+RESTRICT="test"
+
+RDEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5:=[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0=
+ sci-libs/netcdf:=
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
+ opencl? ( virtual/opencl )
+ hip? ( dev-util/hip:= )
+ dev-cpp/eigen:3
+ "
+ # Kokkos-3.5 not in tree atm
+ # kokkos? ( dev-cpp/kokkos-3.5.* )
+BDEPEND="${DISTUTILS_DEPS}"
+DEPEND="${RDEPEND}
+ test? (
+ dev-cpp/gtest
+ )
+"
+
+REQUIRED_USE="
+ python? ( ${PYTHON_REQUIRED_USE} )
+ ?? ( cuda opencl hip )
+"
+
+src_prepare() {
+ cmake_src_prepare
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_prepare
+ popd
+ fi
+}
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DBUILD_DOC=OFF
+ #-DBUILD_DOC=$(usex doc)
+ -DENABLE_TESTING=$(usex test)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_KOKKOS=OFF
+ #-DPKG_KOKKOS=$(usex kokkos)
+ #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=$(usex python)
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ )
+ if use cuda || use opencl || use hip; then
+ mycmakeargs+=( -DPKG_GPU=ON )
+ use cuda && mycmakeargs+=( -DGPU_API=cuda )
+ use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF )
+ use hip && mycmakeargs+=( -DGPU_API=hip )
+ else
+ mycmakeargs+=( -DPKG_GPU=OFF )
+ fi
+ cmake_src_configure
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_configure
+ popd
+ fi
+}
+
+src_compile() {
+ cmake_src_compile
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_compile
+ popd
+ fi
+}
+
+src_test() {
+ cmake_src_test
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_test
+ popd
+ fi
+}
+
+src_install() {
+ cmake_src_install
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_install
+ popd
+ fi
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2023-06-09 15:06 Arthur Zamarin
0 siblings, 0 replies; 80+ messages in thread
From: Arthur Zamarin @ 2023-06-09 15:06 UTC (permalink / raw
To: gentoo-commits
commit: 2dcb6daa9556b03749861b5684967dbfe73c365b
Author: Arthur Zamarin <arthurzam <AT> gentoo <DOT> org>
AuthorDate: Sat Jun 3 14:56:21 2023 +0000
Commit: Arthur Zamarin <arthurzam <AT> gentoo <DOT> org>
CommitDate: Fri Jun 9 14:50:04 2023 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=2dcb6daa
sci-physics/lammps: destabilize for ~x86
Signed-off-by: Arthur Zamarin <arthurzam <AT> gentoo.org>
sci-physics/lammps/lammps-20220217-r1.ebuild | 4 ++--
sci-physics/lammps/lammps-20220217.ebuild | 4 ++--
sci-physics/lammps/lammps-20220623.ebuild | 4 ++--
sci-physics/lammps/lammps-20230328.ebuild | 4 ++--
4 files changed, 8 insertions(+), 8 deletions(-)
diff --git a/sci-physics/lammps/lammps-20220217-r1.ebuild b/sci-physics/lammps/lammps-20220217-r1.ebuild
index 0c599b37fc74..15f4355d109d 100644
--- a/sci-physics/lammps/lammps-20220217-r1.ebuild
+++ b/sci-physics/lammps/lammps-20220217-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -31,7 +31,7 @@ S="${WORKDIR}/${MY_P}/cmake"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="amd64 x86"
+KEYWORDS="amd64 ~x86"
IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
# Requires write access to /dev/dri/renderD...
RESTRICT="test"
diff --git a/sci-physics/lammps/lammps-20220217.ebuild b/sci-physics/lammps/lammps-20220217.ebuild
index f4e9f4f0abb4..dafbca2ebb94 100644
--- a/sci-physics/lammps/lammps-20220217.ebuild
+++ b/sci-physics/lammps/lammps-20220217.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -30,7 +30,7 @@ S="${WORKDIR}/${MY_P}/cmake"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="amd64 x86"
+KEYWORDS="amd64 ~x86"
IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
# Requires write access to /dev/dri/renderD...
RESTRICT="test"
diff --git a/sci-physics/lammps/lammps-20220623.ebuild b/sci-physics/lammps/lammps-20220623.ebuild
index 0c599b37fc74..15f4355d109d 100644
--- a/sci-physics/lammps/lammps-20220623.ebuild
+++ b/sci-physics/lammps/lammps-20220623.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -31,7 +31,7 @@ S="${WORKDIR}/${MY_P}/cmake"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="amd64 x86"
+KEYWORDS="amd64 ~x86"
IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
# Requires write access to /dev/dri/renderD...
RESTRICT="test"
diff --git a/sci-physics/lammps/lammps-20230328.ebuild b/sci-physics/lammps/lammps-20230328.ebuild
index 0c599b37fc74..15f4355d109d 100644
--- a/sci-physics/lammps/lammps-20230328.ebuild
+++ b/sci-physics/lammps/lammps-20230328.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -31,7 +31,7 @@ S="${WORKDIR}/${MY_P}/cmake"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="amd64 x86"
+KEYWORDS="amd64 ~x86"
IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
# Requires write access to /dev/dri/renderD...
RESTRICT="test"
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2023-12-18 19:03 Nicolas Bock
0 siblings, 0 replies; 80+ messages in thread
From: Nicolas Bock @ 2023-12-18 19:03 UTC (permalink / raw
To: gentoo-commits
commit: 80fb06d81c0c90b9f6467dbe894a5fdecb151570
Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
AuthorDate: Mon Dec 18 19:03:01 2023 +0000
Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org>
CommitDate: Mon Dec 18 19:03:32 2023 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=80fb06d8
sci-physics/lammps: Version bump to 20230802
Signed-off-by: Nicolas Bock <nicolasbock <AT> gentoo.org>
sci-physics/lammps/Manifest | 1 +
sci-physics/lammps/lammps-20230802.ebuild | 166 ++++++++++++++++++++++++++++++
2 files changed, 167 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 4eb7af332440..4ef469752759 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,3 +1,4 @@
DIST lammps-17Feb2022.tar.gz 170036241 BLAKE2B 74d370657bff17847dce0bbe082134721722574b298832ea37d319968123b12d37ecdfea5560b2776e846c32d05a98f722710327d8da46f80869f75a36f6c255 SHA512 f2df65847906ca5890aae98efed5712eb6dd694f2b85dc062084a02b9bf43412ecd075f54df2947bff71d3b6313c1ec39c437e02497920da795e9ba0cd5dc068
DIST lammps-23Jun2022.tar.gz 181439760 BLAKE2B b8012417257527820a4f37dbd300d3f949e3768fc7ae669c49bc7ea0cdc30b28512cb3ee25d375394184bbf1371763da6c3556b2d600f060b754816c589197bf SHA512 e882cb8a83a90b17471cd5c79b2b724378a28642b82511c695a36c0d9a0feb63681b29171c5bfb0bcb218ea3a1a5e4f00fdb8e6ce5f0fc8aed1fa83680cd3a34
DIST lammps-28Mar2023.tar.gz 187946133 BLAKE2B 87f8ffaefd9a5b4cb7a286157d6c7808d899bf738b42a1e82af257fdafa2cf6ed2ce216d0534fb762882130efea9a5f2566ca5282fb7ef95f028d2839be59eaa SHA512 2999d8311ff83612a0da82e2453e8b25dcb2af56005382725b6fd5ed9e7f61e9ae506d04cc3c587ce75f1e2346e7f2ec05eada6351dad7abee1bc25161851682
+DIST lammps-2Aug2023.tar.gz 193279161 BLAKE2B 15816514984a307055e6f42ca741b14a9cabe8839ce266086e9a286bf89a868b2d795846a0a191549013f8f2c403a590ec1231633bf4e161f82d3d83d9fa700e SHA512 5e915f61d29f73de9edca05f371a6ca4449564ab48dfb64c212a417a2200b1738e7f44145db44d794bb480116e8f57c658612d54a3c9f759eb9947d3de5d4c35
diff --git a/sci-physics/lammps/lammps-20230802.ebuild b/sci-physics/lammps/lammps-20230802.ebuild
new file mode 100644
index 000000000000..3260e0e6fe10
--- /dev/null
+++ b/sci-physics/lammps/lammps-20230802.ebuild
@@ -0,0 +1,166 @@
+# Copyright 1999-2023 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{9..12} )
+DISTUTILS_OPTIONAL=1
+DISTUTILS_USE_PEP517=setuptools
+CMAKE_MAKEFILE_GENERATOR=emake
+# Doc building insists on fetching mathjax
+# DOCS_BUILDER="doxygen"
+# DOCS_DEPEND="
+# media-gfx/graphviz
+# dev-libs/mathjax
+# "
+
+inherit cmake fortran-2 distutils-r1 # docs
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz"
+S="${WORKDIR}/${MY_P}/cmake"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="amd64 ~x86"
+IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
+# Requires write access to /dev/dri/renderD...
+RESTRICT="test"
+
+RDEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5:=[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0=
+ sci-libs/netcdf:=
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
+ opencl? ( virtual/opencl )
+ hip? ( dev-util/hip:= )
+ dev-cpp/eigen:3
+ "
+ # Kokkos-3.5 not in tree atm
+ # kokkos? ( dev-cpp/kokkos-3.5.* )
+BDEPEND="${DISTUTILS_DEPS}"
+DEPEND="${RDEPEND}
+ test? (
+ dev-cpp/gtest
+ )
+"
+
+REQUIRED_USE="
+ python? ( ${PYTHON_REQUIRED_USE} )
+ ?? ( cuda opencl hip )
+"
+
+src_prepare() {
+ cmake_src_prepare
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_prepare
+ popd
+ fi
+}
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DBUILD_DOC=OFF
+ #-DBUILD_DOC=$(usex doc)
+ -DENABLE_TESTING=$(usex test)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_KOKKOS=OFF
+ #-DPKG_KOKKOS=$(usex kokkos)
+ #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=$(usex python)
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ )
+ if use cuda || use opencl || use hip; then
+ mycmakeargs+=( -DPKG_GPU=ON )
+ use cuda && mycmakeargs+=( -DGPU_API=cuda )
+ use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF )
+ use hip && mycmakeargs+=( -DGPU_API=hip )
+ else
+ mycmakeargs+=( -DPKG_GPU=OFF )
+ fi
+ cmake_src_configure
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_configure
+ popd
+ fi
+}
+
+src_compile() {
+ cmake_src_compile
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_compile
+ popd
+ fi
+}
+
+src_test() {
+ cmake_src_test
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_test
+ popd
+ fi
+}
+
+src_install() {
+ cmake_src_install
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_install
+ popd
+ fi
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2024-01-11 9:12 Andrew Ammerlaan
0 siblings, 0 replies; 80+ messages in thread
From: Andrew Ammerlaan @ 2024-01-11 9:12 UTC (permalink / raw
To: gentoo-commits
commit: d14803303b4e91fe67b2ab7e813c6e83c2f13eb8
Author: Denis Strizhkin <strdenis02 <AT> gmail <DOT> com>
AuthorDate: Wed Jan 3 19:27:03 2024 +0000
Commit: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
CommitDate: Thu Jan 11 09:12:10 2024 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=d1480330
sci-physics/lammps: add openmp and extra iuse flags, fix hip configure
Bug: https://bugs.gentoo.org/907713
Signed-off-by: Denis Strizhkin <strdenis02 <AT> gmail.com>
Signed-off-by: Andrew Ammerlaan <andrewammerlaan <AT> gentoo.org>
sci-physics/lammps/lammps-20230802-r1.ebuild | 175 +++++++++++++++++++++++++++
sci-physics/lammps/metadata.xml | 4 +
2 files changed, 179 insertions(+)
diff --git a/sci-physics/lammps/lammps-20230802-r1.ebuild b/sci-physics/lammps/lammps-20230802-r1.ebuild
new file mode 100644
index 000000000000..3c3d57476605
--- /dev/null
+++ b/sci-physics/lammps/lammps-20230802-r1.ebuild
@@ -0,0 +1,175 @@
+# Copyright 1999-2024 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{10..12} )
+DISTUTILS_OPTIONAL=1
+DISTUTILS_USE_PEP517=setuptools
+CMAKE_MAKEFILE_GENERATOR=emake
+# Doc building insists on fetching mathjax
+# DOCS_BUILDER="doxygen"
+# DOCS_DEPEND="
+# media-gfx/graphviz
+# dev-libs/mathjax
+# "
+
+inherit cmake fortran-2 distutils-r1 # docs
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="https://lammps.sandia.gov/"
+SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz"
+S="${WORKDIR}/${MY_P}/cmake"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples extra gzip hip lammps-memalign mpi opencl openmp python test"
+# Requires write access to /dev/dri/renderD...
+RESTRICT="test"
+
+RDEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5:=[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0=
+ sci-libs/netcdf:=
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
+ opencl? ( virtual/opencl )
+ hip? (
+ dev-util/hip:=
+ sci-libs/hipCUB:=
+ )
+ dev-cpp/eigen:3
+ "
+ # Kokkos-3.5 not in tree atm
+ # kokkos? ( dev-cpp/kokkos-3.5.* )
+BDEPEND="${DISTUTILS_DEPS}"
+DEPEND="${RDEPEND}
+ test? (
+ dev-cpp/gtest
+ )
+"
+
+REQUIRED_USE="
+ python? ( ${PYTHON_REQUIRED_USE} )
+ ?? ( cuda opencl hip )
+"
+
+src_prepare() {
+ cmake_src_prepare
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_prepare
+ popd || die
+ fi
+}
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DBUILD_DOC=OFF
+ #-DBUILD_DOC=$(usex doc)
+ -DENABLE_TESTING=$(usex test)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_EXTRA-COMPUTE=$(usex extra)
+ -DPKG_EXTRA-DUMP=$(usex extra)
+ -DPKG_EXTRA-FIX=$(usex extra)
+ -DPKG_EXTRA-MOLECULE=$(usex extra)
+ -DPKG_EXTRA-PAIR=$(usex extra)
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_KOKKOS=OFF
+ #-DPKG_KOKKOS=$(usex kokkos)
+ #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_OPENMP=$(usex openmp)
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=$(usex python)
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ )
+ if use cuda || use opencl || use hip; then
+ mycmakeargs+=( -DPKG_GPU=ON )
+ use cuda && mycmakeargs+=( -DGPU_API=cuda )
+ use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF )
+ use hip && mycmakeargs+=( -DGPU_API=hip -DHIP_PATH="${EPREFIX}/usr" )
+ else
+ mycmakeargs+=( -DPKG_GPU=OFF )
+ fi
+ cmake_src_configure
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_configure
+ popd || die
+ fi
+}
+
+src_compile() {
+ cmake_src_compile
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_compile
+ popd || die
+ fi
+}
+
+src_test() {
+ cmake_src_test
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_test
+ popd || die
+ fi
+}
+
+src_install() {
+ cmake_src_install
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_install
+ popd || die
+ fi
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
diff --git a/sci-physics/lammps/metadata.xml b/sci-physics/lammps/metadata.xml
index d44b7b9658ed..8cd9e53aced2 100644
--- a/sci-physics/lammps/metadata.xml
+++ b/sci-physics/lammps/metadata.xml
@@ -20,6 +20,7 @@
call instead of malloc() when large chunks or memory are allocated
by LAMMPS. Aliengnment is on 16 byte boundaries.</flag>
<flag name="hip">Enable hip gpu computing support</flag>
+ <flag name="extra">Additional compute, dump, fix, molecular, pair styles</flag>
<!--<flag name="kokkos">Enable kokkos non-bonded kernels</flag>-->
</use>
<maintainer type="person">
@@ -30,4 +31,7 @@
<email>sci-physics@gentoo.org</email>
<name>Gentoo Physics Project</name>
</maintainer>
+ <upstream>
+ <remote-id type="github">lammps/lammps</remote-id>
+ </upstream>
</pkgmetadata>
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2024-09-27 8:58 Andrew Ammerlaan
0 siblings, 0 replies; 80+ messages in thread
From: Andrew Ammerlaan @ 2024-09-27 8:58 UTC (permalink / raw
To: gentoo-commits
commit: 032df870c6ec017cd53cf3945a7503d6ad57e92b
Author: Denis Strizhkin <strdenis02 <AT> gmail <DOT> com>
AuthorDate: Wed Sep 11 00:54:53 2024 +0000
Commit: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
CommitDate: Fri Sep 27 08:42:06 2024 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=032df870
sci-physics/lammps: add 20240829
Signed-off-by: Denis Strizhkin <strdenis02 <AT> gmail.com>
Signed-off-by: Andrew Ammerlaan <andrewammerlaan <AT> gentoo.org>
sci-physics/lammps/Manifest | 2 +
sci-physics/lammps/lammps-20240829.ebuild | 190 ++++++++++++++++++++++++++++++
2 files changed, 192 insertions(+)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 4ef469752759..70e2b05b2ca1 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -2,3 +2,5 @@ DIST lammps-17Feb2022.tar.gz 170036241 BLAKE2B 74d370657bff17847dce0bbe082134721
DIST lammps-23Jun2022.tar.gz 181439760 BLAKE2B b8012417257527820a4f37dbd300d3f949e3768fc7ae669c49bc7ea0cdc30b28512cb3ee25d375394184bbf1371763da6c3556b2d600f060b754816c589197bf SHA512 e882cb8a83a90b17471cd5c79b2b724378a28642b82511c695a36c0d9a0feb63681b29171c5bfb0bcb218ea3a1a5e4f00fdb8e6ce5f0fc8aed1fa83680cd3a34
DIST lammps-28Mar2023.tar.gz 187946133 BLAKE2B 87f8ffaefd9a5b4cb7a286157d6c7808d899bf738b42a1e82af257fdafa2cf6ed2ce216d0534fb762882130efea9a5f2566ca5282fb7ef95f028d2839be59eaa SHA512 2999d8311ff83612a0da82e2453e8b25dcb2af56005382725b6fd5ed9e7f61e9ae506d04cc3c587ce75f1e2346e7f2ec05eada6351dad7abee1bc25161851682
DIST lammps-2Aug2023.tar.gz 193279161 BLAKE2B 15816514984a307055e6f42ca741b14a9cabe8839ce266086e9a286bf89a868b2d795846a0a191549013f8f2c403a590ec1231633bf4e161f82d3d83d9fa700e SHA512 5e915f61d29f73de9edca05f371a6ca4449564ab48dfb64c212a417a2200b1738e7f44145db44d794bb480116e8f57c658612d54a3c9f759eb9947d3de5d4c35
+DIST lammps-gtest-1.12.1.tar.gz 854944 BLAKE2B 7b121fb95bb19efec1387a83da2201a139197225f79f7649ceac04695ff06fc4148319ae928d79ced413a9cfd42e68b56bfda1ee6bfdbf07fdd22795e9974388 SHA512 a9104dc6c53747e36e7dd7bb93dfce51a558bd31b487a9ef08def095518e1296da140e0db263e0644d9055dbd903c0cb69380cb2322941dbfb04780ef247df9c
+DIST stable_29Aug2024.tar.gz 141582660 BLAKE2B a90233840ff2cb98dd28851137f84820bfa3618488e46f9f304aaa9c2425f40750771b15677ed07b3606eb78b50c8beb26c3933ff71c48c0c2911ca3743647d6 SHA512 c6755da36d78d1f8e13db4c1f473db2c15d062ed79b15e110031b6501388a67f47d62d71fe367a111f7dd6cb58c7d6e358eed7e69589e06f735039ee794f4618
diff --git a/sci-physics/lammps/lammps-20240829.ebuild b/sci-physics/lammps/lammps-20240829.ebuild
new file mode 100644
index 000000000000..7d4d92c21ff8
--- /dev/null
+++ b/sci-physics/lammps/lammps-20240829.ebuild
@@ -0,0 +1,190 @@
+# Copyright 1999-2024 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{10..12} )
+DISTUTILS_OPTIONAL=1
+DISTUTILS_USE_PEP517=setuptools
+CMAKE_MAKEFILE_GENERATOR=emake
+# Doc building insists on fetching mathjax
+# DOCS_BUILDER="doxygen"
+# DOCS_DEPEND="
+# media-gfx/graphviz
+# dev-libs/mathjax
+# "
+
+inherit cmake fortran-2 distutils-r1 # docs
+
+convert_month() {
+ local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
+ echo ${months[${1#0}]}
+}
+
+MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
+MY_P="${PN}-stable_${MY_PV}"
+
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
+HOMEPAGE="https://www.lammps.org"
+SRC_URI="
+ https://github.com/lammps/lammps/archive/refs/tags/stable_${MY_PV}.tar.gz
+ test? (
+ https://github.com/google/googletest/archive/release-1.12.1.tar.gz -> ${PN}-gtest-1.12.1.tar.gz
+ )
+"
+S="${WORKDIR}/${MY_P}/cmake"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples extra gzip hip lammps-memalign mpi opencl openmp python test"
+# Requires write access to /dev/dri/renderD...
+RESTRICT="test"
+
+RDEPEND="
+ app-arch/gzip
+ media-libs/libpng:0
+ sys-libs/zlib
+ mpi? (
+ virtual/mpi
+ sci-libs/hdf5:=[mpi]
+ )
+ python? ( ${PYTHON_DEPS} )
+ sci-libs/voro++
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0=
+ sci-libs/netcdf:=
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
+ opencl? ( virtual/opencl )
+ hip? (
+ dev-util/hip:=
+ sci-libs/hipCUB:=
+ )
+ dev-cpp/eigen:3
+ "
+ # Kokkos-3.5 not in tree atm
+ # kokkos? ( dev-cpp/kokkos-3.5.* )
+BDEPEND="${DISTUTILS_DEPS}"
+DEPEND="${RDEPEND}
+ test? (
+ dev-cpp/gtest
+ dev-libs/libyaml
+ )
+"
+
+REQUIRED_USE="
+ python? ( ${PYTHON_REQUIRED_USE} )
+ ?? ( cuda opencl hip )
+"
+
+src_prepare() {
+ cmake_src_prepare
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_prepare
+ popd || die
+ fi
+ if use test; then
+ mkdir "${BUILD_DIR}/_deps"
+ cp "${DISTDIR}/${PN}-gtest-1.12.1.tar.gz" "${BUILD_DIR}/_deps/release-1.12.1.tar.gz"
+ fi
+}
+
+src_configure() {
+ local mycmakeargs=(
+ -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
+ -DBUILD_SHARED_LIBS=ON
+ -DBUILD_MPI=$(usex mpi)
+ -DBUILD_DOC=OFF
+ #-DBUILD_DOC=$(usex doc)
+ -DENABLE_TESTING=$(usex test)
+ -DPKG_ASPHERE=ON
+ -DPKG_BODY=ON
+ -DPKG_CLASS2=ON
+ -DPKG_COLLOID=ON
+ -DPKG_COMPRESS=ON
+ -DPKG_CORESHELL=ON
+ -DPKG_DIPOLE=ON
+ -DPKG_EXTRA-COMPUTE=$(usex extra)
+ -DPKG_EXTRA-DUMP=$(usex extra)
+ -DPKG_EXTRA-FIX=$(usex extra)
+ -DPKG_EXTRA-MOLECULE=$(usex extra)
+ -DPKG_EXTRA-PAIR=$(usex extra)
+ -DPKG_GRANULAR=ON
+ -DPKG_KSPACE=ON
+ -DFFT=FFTW3
+ -DPKG_KOKKOS=OFF
+ #-DPKG_KOKKOS=$(usex kokkos)
+ #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
+ -DPKG_MANYBODY=ON
+ -DPKG_MC=ON
+ -DPKG_MEAM=ON
+ -DPKG_MISC=ON
+ -DPKG_MOLECULE=ON
+ -DPKG_OPENMP=$(usex openmp)
+ -DPKG_PERI=ON
+ -DPKG_QEQ=ON
+ -DPKG_REPLICA=ON
+ -DPKG_RIGID=ON
+ -DPKG_SHOCK=ON
+ -DPKG_SRD=ON
+ -DPKG_PYTHON=$(usex python)
+ -DPKG_MPIIO=$(usex mpi)
+ -DPKG_VORONOI=ON
+ )
+ if use cuda || use opencl || use hip; then
+ mycmakeargs+=( -DPKG_GPU=ON )
+ use cuda && mycmakeargs+=( -DGPU_API=cuda )
+ use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF )
+ use hip && mycmakeargs+=( -DGPU_API=hip -DHIP_PATH="${EPREFIX}/usr" )
+ else
+ mycmakeargs+=( -DPKG_GPU=OFF )
+ fi
+ cmake_src_configure
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_configure
+ popd || die
+ fi
+}
+
+src_compile() {
+ cmake_src_compile
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_compile
+ popd || die
+ fi
+}
+
+src_test() {
+ cmake_src_test
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_test
+ popd || die
+ fi
+}
+
+src_install() {
+ cmake_src_install
+
+ if use opencl; then
+ dobin "${BUILD_DIR}/ocl_get_devices"
+ fi
+
+ if use python; then
+ pushd ../python || die
+ distutils-r1_src_install
+ popd || die
+ fi
+
+ if use examples; then
+ for d in examples bench; do
+ local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
+ insinto "${LAMMPS_EXAMPLES}"
+ doins -r "${S}"/../${d}/*
+ done
+ fi
+}
^ permalink raw reply related [flat|nested] 80+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
@ 2024-09-27 8:58 Andrew Ammerlaan
0 siblings, 0 replies; 80+ messages in thread
From: Andrew Ammerlaan @ 2024-09-27 8:58 UTC (permalink / raw
To: gentoo-commits
commit: ce0042600ff75a6c1a00d43d271a247b6d29f553
Author: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
AuthorDate: Fri Sep 27 08:50:49 2024 +0000
Commit: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
CommitDate: Fri Sep 27 08:50:49 2024 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=ce004260
sci-physics/lammps: drop 20220217, 20220217-r1, 20220623, 20230328
Signed-off-by: Andrew Ammerlaan <andrewammerlaan <AT> gentoo.org>
sci-physics/lammps/Manifest | 3 -
sci-physics/lammps/lammps-20220217-r1.ebuild | 166 ---------------------------
sci-physics/lammps/lammps-20220217.ebuild | 164 --------------------------
sci-physics/lammps/lammps-20220623.ebuild | 166 ---------------------------
sci-physics/lammps/lammps-20230328.ebuild | 166 ---------------------------
5 files changed, 665 deletions(-)
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 70e2b05b2ca1..95d4d38f2a02 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,6 +1,3 @@
-DIST lammps-17Feb2022.tar.gz 170036241 BLAKE2B 74d370657bff17847dce0bbe082134721722574b298832ea37d319968123b12d37ecdfea5560b2776e846c32d05a98f722710327d8da46f80869f75a36f6c255 SHA512 f2df65847906ca5890aae98efed5712eb6dd694f2b85dc062084a02b9bf43412ecd075f54df2947bff71d3b6313c1ec39c437e02497920da795e9ba0cd5dc068
-DIST lammps-23Jun2022.tar.gz 181439760 BLAKE2B b8012417257527820a4f37dbd300d3f949e3768fc7ae669c49bc7ea0cdc30b28512cb3ee25d375394184bbf1371763da6c3556b2d600f060b754816c589197bf SHA512 e882cb8a83a90b17471cd5c79b2b724378a28642b82511c695a36c0d9a0feb63681b29171c5bfb0bcb218ea3a1a5e4f00fdb8e6ce5f0fc8aed1fa83680cd3a34
-DIST lammps-28Mar2023.tar.gz 187946133 BLAKE2B 87f8ffaefd9a5b4cb7a286157d6c7808d899bf738b42a1e82af257fdafa2cf6ed2ce216d0534fb762882130efea9a5f2566ca5282fb7ef95f028d2839be59eaa SHA512 2999d8311ff83612a0da82e2453e8b25dcb2af56005382725b6fd5ed9e7f61e9ae506d04cc3c587ce75f1e2346e7f2ec05eada6351dad7abee1bc25161851682
DIST lammps-2Aug2023.tar.gz 193279161 BLAKE2B 15816514984a307055e6f42ca741b14a9cabe8839ce266086e9a286bf89a868b2d795846a0a191549013f8f2c403a590ec1231633bf4e161f82d3d83d9fa700e SHA512 5e915f61d29f73de9edca05f371a6ca4449564ab48dfb64c212a417a2200b1738e7f44145db44d794bb480116e8f57c658612d54a3c9f759eb9947d3de5d4c35
DIST lammps-gtest-1.12.1.tar.gz 854944 BLAKE2B 7b121fb95bb19efec1387a83da2201a139197225f79f7649ceac04695ff06fc4148319ae928d79ced413a9cfd42e68b56bfda1ee6bfdbf07fdd22795e9974388 SHA512 a9104dc6c53747e36e7dd7bb93dfce51a558bd31b487a9ef08def095518e1296da140e0db263e0644d9055dbd903c0cb69380cb2322941dbfb04780ef247df9c
DIST stable_29Aug2024.tar.gz 141582660 BLAKE2B a90233840ff2cb98dd28851137f84820bfa3618488e46f9f304aaa9c2425f40750771b15677ed07b3606eb78b50c8beb26c3933ff71c48c0c2911ca3743647d6 SHA512 c6755da36d78d1f8e13db4c1f473db2c15d062ed79b15e110031b6501388a67f47d62d71fe367a111f7dd6cb58c7d6e358eed7e69589e06f735039ee794f4618
diff --git a/sci-physics/lammps/lammps-20220217-r1.ebuild b/sci-physics/lammps/lammps-20220217-r1.ebuild
deleted file mode 100644
index 15f4355d109d..000000000000
--- a/sci-physics/lammps/lammps-20220217-r1.ebuild
+++ /dev/null
@@ -1,166 +0,0 @@
-# Copyright 1999-2023 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-
-PYTHON_COMPAT=( python3_{9..11} )
-DISTUTILS_OPTIONAL=1
-DISTUTILS_USE_PEP517=setuptools
-CMAKE_MAKEFILE_GENERATOR=emake
-# Doc building insists on fetching mathjax
-# DOCS_BUILDER="doxygen"
-# DOCS_DEPEND="
-# media-gfx/graphviz
-# dev-libs/mathjax
-# "
-
-inherit cmake fortran-2 distutils-r1 # docs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz"
-S="${WORKDIR}/${MY_P}/cmake"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 ~x86"
-IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
-# Requires write access to /dev/dri/renderD...
-RESTRICT="test"
-
-RDEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5:=[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0=
- sci-libs/netcdf:=
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
- opencl? ( virtual/opencl )
- hip? ( dev-util/hip:= )
- dev-cpp/eigen:3
- "
- # Kokkos-3.5 not in tree atm
- # kokkos? ( dev-cpp/kokkos-3.5.* )
-BDEPEND="${DISTUTILS_DEPS}"
-DEPEND="${RDEPEND}
- test? (
- dev-cpp/gtest
- )
-"
-
-REQUIRED_USE="
- python? ( ${PYTHON_REQUIRED_USE} )
- ?? ( cuda opencl hip )
-"
-
-src_prepare() {
- cmake_src_prepare
- if use python; then
- pushd ../python || die
- distutils-r1_src_prepare
- popd
- fi
-}
-
-src_configure() {
- local mycmakeargs=(
- -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
- -DBUILD_SHARED_LIBS=ON
- -DBUILD_MPI=$(usex mpi)
- -DBUILD_DOC=OFF
- #-DBUILD_DOC=$(usex doc)
- -DENABLE_TESTING=$(usex test)
- -DPKG_ASPHERE=ON
- -DPKG_BODY=ON
- -DPKG_CLASS2=ON
- -DPKG_COLLOID=ON
- -DPKG_COMPRESS=ON
- -DPKG_CORESHELL=ON
- -DPKG_DIPOLE=ON
- -DPKG_GRANULAR=ON
- -DPKG_KSPACE=ON
- -DFFT=FFTW3
- -DPKG_KOKKOS=OFF
- #-DPKG_KOKKOS=$(usex kokkos)
- #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
- -DPKG_MANYBODY=ON
- -DPKG_MC=ON
- -DPKG_MEAM=ON
- -DPKG_MISC=ON
- -DPKG_MOLECULE=ON
- -DPKG_PERI=ON
- -DPKG_QEQ=ON
- -DPKG_REPLICA=ON
- -DPKG_RIGID=ON
- -DPKG_SHOCK=ON
- -DPKG_SRD=ON
- -DPKG_PYTHON=$(usex python)
- -DPKG_MPIIO=$(usex mpi)
- -DPKG_VORONOI=ON
- )
- if use cuda || use opencl || use hip; then
- mycmakeargs+=( -DPKG_GPU=ON )
- use cuda && mycmakeargs+=( -DGPU_API=cuda )
- use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF )
- use hip && mycmakeargs+=( -DGPU_API=hip )
- else
- mycmakeargs+=( -DPKG_GPU=OFF )
- fi
- cmake_src_configure
- if use python; then
- pushd ../python || die
- distutils-r1_src_configure
- popd
- fi
-}
-
-src_compile() {
- cmake_src_compile
- if use python; then
- pushd ../python || die
- distutils-r1_src_compile
- popd
- fi
-}
-
-src_test() {
- cmake_src_test
- if use python; then
- pushd ../python || die
- distutils-r1_src_test
- popd
- fi
-}
-
-src_install() {
- cmake_src_install
- if use python; then
- pushd ../python || die
- distutils-r1_src_install
- popd
- fi
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
diff --git a/sci-physics/lammps/lammps-20220217.ebuild b/sci-physics/lammps/lammps-20220217.ebuild
deleted file mode 100644
index dafbca2ebb94..000000000000
--- a/sci-physics/lammps/lammps-20220217.ebuild
+++ /dev/null
@@ -1,164 +0,0 @@
-# Copyright 1999-2023 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-
-PYTHON_COMPAT=( python3_{8..10} )
-DISTUTILS_OPTIONAL=1
-CMAKE_MAKEFILE_GENERATOR=emake
-# Doc building insists on fetching mathjax
-# DOCS_BUILDER="doxygen"
-# DOCS_DEPEND="
-# media-gfx/graphviz
-# dev-libs/mathjax
-# "
-
-inherit cmake fortran-2 distutils-r1 # docs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz"
-S="${WORKDIR}/${MY_P}/cmake"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 ~x86"
-IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
-# Requires write access to /dev/dri/renderD...
-RESTRICT="test"
-
-RDEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5:=[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0=
- sci-libs/netcdf:=
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
- opencl? ( virtual/opencl )
- hip? ( dev-util/hip:= )
- dev-cpp/eigen:3
- "
- # Kokkos-3.5 not in tree atm
- # kokkos? ( dev-cpp/kokkos-3.5.* )
-DEPEND="${RDEPEND}
- test? (
- dev-cpp/gtest
- )
-"
-
-REQUIRED_USE="
- python? ( ${PYTHON_REQUIRED_USE} )
- ?? ( cuda opencl hip )
-"
-
-src_prepare() {
- cmake_src_prepare
- if use python; then
- pushd ../python || die
- distutils-r1_src_prepare
- popd
- fi
-}
-
-src_configure() {
- local mycmakeargs=(
- -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
- -DBUILD_SHARED_LIBS=ON
- -DBUILD_MPI=$(usex mpi)
- -DBUILD_DOC=OFF
- #-DBUILD_DOC=$(usex doc)
- -DENABLE_TESTING=$(usex test)
- -DPKG_ASPHERE=ON
- -DPKG_BODY=ON
- -DPKG_CLASS2=ON
- -DPKG_COLLOID=ON
- -DPKG_COMPRESS=ON
- -DPKG_CORESHELL=ON
- -DPKG_DIPOLE=ON
- -DPKG_GRANULAR=ON
- -DPKG_KSPACE=ON
- -DFFT=FFTW3
- -DPKG_KOKKOS=OFF
- #-DPKG_KOKKOS=$(usex kokkos)
- #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
- -DPKG_MANYBODY=ON
- -DPKG_MC=ON
- -DPKG_MEAM=ON
- -DPKG_MISC=ON
- -DPKG_MOLECULE=ON
- -DPKG_PERI=ON
- -DPKG_QEQ=ON
- -DPKG_REPLICA=ON
- -DPKG_RIGID=ON
- -DPKG_SHOCK=ON
- -DPKG_SRD=ON
- -DPKG_PYTHON=$(usex python)
- -DPKG_MPIIO=$(usex mpi)
- -DPKG_VORONOI=ON
- )
- if use cuda || use opencl || use hip; then
- mycmakeargs+=( -DPKG_GPU=ON )
- use cuda && mycmakeargs+=( -DGPU_API=cuda )
- use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF )
- use hip && mycmakeargs+=( -DGPU_API=hip )
- else
- mycmakeargs+=( -DPKG_GPU=OFF )
- fi
- cmake_src_configure
- if use python; then
- pushd ../python || die
- distutils-r1_src_configure
- popd
- fi
-}
-
-src_compile() {
- cmake_src_compile
- if use python; then
- pushd ../python || die
- distutils-r1_src_compile
- popd
- fi
-}
-
-src_test() {
- cmake_src_test
- if use python; then
- pushd ../python || die
- distutils-r1_src_test
- popd
- fi
-}
-
-src_install() {
- cmake_src_install
- if use python; then
- pushd ../python || die
- distutils-r1_src_install
- popd
- fi
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
diff --git a/sci-physics/lammps/lammps-20220623.ebuild b/sci-physics/lammps/lammps-20220623.ebuild
deleted file mode 100644
index 15f4355d109d..000000000000
--- a/sci-physics/lammps/lammps-20220623.ebuild
+++ /dev/null
@@ -1,166 +0,0 @@
-# Copyright 1999-2023 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-
-PYTHON_COMPAT=( python3_{9..11} )
-DISTUTILS_OPTIONAL=1
-DISTUTILS_USE_PEP517=setuptools
-CMAKE_MAKEFILE_GENERATOR=emake
-# Doc building insists on fetching mathjax
-# DOCS_BUILDER="doxygen"
-# DOCS_DEPEND="
-# media-gfx/graphviz
-# dev-libs/mathjax
-# "
-
-inherit cmake fortran-2 distutils-r1 # docs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz"
-S="${WORKDIR}/${MY_P}/cmake"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 ~x86"
-IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
-# Requires write access to /dev/dri/renderD...
-RESTRICT="test"
-
-RDEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5:=[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0=
- sci-libs/netcdf:=
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
- opencl? ( virtual/opencl )
- hip? ( dev-util/hip:= )
- dev-cpp/eigen:3
- "
- # Kokkos-3.5 not in tree atm
- # kokkos? ( dev-cpp/kokkos-3.5.* )
-BDEPEND="${DISTUTILS_DEPS}"
-DEPEND="${RDEPEND}
- test? (
- dev-cpp/gtest
- )
-"
-
-REQUIRED_USE="
- python? ( ${PYTHON_REQUIRED_USE} )
- ?? ( cuda opencl hip )
-"
-
-src_prepare() {
- cmake_src_prepare
- if use python; then
- pushd ../python || die
- distutils-r1_src_prepare
- popd
- fi
-}
-
-src_configure() {
- local mycmakeargs=(
- -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
- -DBUILD_SHARED_LIBS=ON
- -DBUILD_MPI=$(usex mpi)
- -DBUILD_DOC=OFF
- #-DBUILD_DOC=$(usex doc)
- -DENABLE_TESTING=$(usex test)
- -DPKG_ASPHERE=ON
- -DPKG_BODY=ON
- -DPKG_CLASS2=ON
- -DPKG_COLLOID=ON
- -DPKG_COMPRESS=ON
- -DPKG_CORESHELL=ON
- -DPKG_DIPOLE=ON
- -DPKG_GRANULAR=ON
- -DPKG_KSPACE=ON
- -DFFT=FFTW3
- -DPKG_KOKKOS=OFF
- #-DPKG_KOKKOS=$(usex kokkos)
- #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
- -DPKG_MANYBODY=ON
- -DPKG_MC=ON
- -DPKG_MEAM=ON
- -DPKG_MISC=ON
- -DPKG_MOLECULE=ON
- -DPKG_PERI=ON
- -DPKG_QEQ=ON
- -DPKG_REPLICA=ON
- -DPKG_RIGID=ON
- -DPKG_SHOCK=ON
- -DPKG_SRD=ON
- -DPKG_PYTHON=$(usex python)
- -DPKG_MPIIO=$(usex mpi)
- -DPKG_VORONOI=ON
- )
- if use cuda || use opencl || use hip; then
- mycmakeargs+=( -DPKG_GPU=ON )
- use cuda && mycmakeargs+=( -DGPU_API=cuda )
- use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF )
- use hip && mycmakeargs+=( -DGPU_API=hip )
- else
- mycmakeargs+=( -DPKG_GPU=OFF )
- fi
- cmake_src_configure
- if use python; then
- pushd ../python || die
- distutils-r1_src_configure
- popd
- fi
-}
-
-src_compile() {
- cmake_src_compile
- if use python; then
- pushd ../python || die
- distutils-r1_src_compile
- popd
- fi
-}
-
-src_test() {
- cmake_src_test
- if use python; then
- pushd ../python || die
- distutils-r1_src_test
- popd
- fi
-}
-
-src_install() {
- cmake_src_install
- if use python; then
- pushd ../python || die
- distutils-r1_src_install
- popd
- fi
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
diff --git a/sci-physics/lammps/lammps-20230328.ebuild b/sci-physics/lammps/lammps-20230328.ebuild
deleted file mode 100644
index 15f4355d109d..000000000000
--- a/sci-physics/lammps/lammps-20230328.ebuild
+++ /dev/null
@@ -1,166 +0,0 @@
-# Copyright 1999-2023 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-
-PYTHON_COMPAT=( python3_{9..11} )
-DISTUTILS_OPTIONAL=1
-DISTUTILS_USE_PEP517=setuptools
-CMAKE_MAKEFILE_GENERATOR=emake
-# Doc building insists on fetching mathjax
-# DOCS_BUILDER="doxygen"
-# DOCS_DEPEND="
-# media-gfx/graphviz
-# dev-libs/mathjax
-# "
-
-inherit cmake fortran-2 distutils-r1 # docs
-
-convert_month() {
- local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
- echo ${months[${1#0}]}
-}
-
-MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
-
-DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz"
-S="${WORKDIR}/${MY_P}/cmake"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 ~x86"
-IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
-# Requires write access to /dev/dri/renderD...
-RESTRICT="test"
-
-RDEPEND="
- app-arch/gzip
- media-libs/libpng:0
- sys-libs/zlib
- mpi? (
- virtual/mpi
- sci-libs/hdf5:=[mpi]
- )
- python? ( ${PYTHON_DEPS} )
- sci-libs/voro++
- virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0=
- sci-libs/netcdf:=
- cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
- opencl? ( virtual/opencl )
- hip? ( dev-util/hip:= )
- dev-cpp/eigen:3
- "
- # Kokkos-3.5 not in tree atm
- # kokkos? ( dev-cpp/kokkos-3.5.* )
-BDEPEND="${DISTUTILS_DEPS}"
-DEPEND="${RDEPEND}
- test? (
- dev-cpp/gtest
- )
-"
-
-REQUIRED_USE="
- python? ( ${PYTHON_REQUIRED_USE} )
- ?? ( cuda opencl hip )
-"
-
-src_prepare() {
- cmake_src_prepare
- if use python; then
- pushd ../python || die
- distutils-r1_src_prepare
- popd
- fi
-}
-
-src_configure() {
- local mycmakeargs=(
- -DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
- -DBUILD_SHARED_LIBS=ON
- -DBUILD_MPI=$(usex mpi)
- -DBUILD_DOC=OFF
- #-DBUILD_DOC=$(usex doc)
- -DENABLE_TESTING=$(usex test)
- -DPKG_ASPHERE=ON
- -DPKG_BODY=ON
- -DPKG_CLASS2=ON
- -DPKG_COLLOID=ON
- -DPKG_COMPRESS=ON
- -DPKG_CORESHELL=ON
- -DPKG_DIPOLE=ON
- -DPKG_GRANULAR=ON
- -DPKG_KSPACE=ON
- -DFFT=FFTW3
- -DPKG_KOKKOS=OFF
- #-DPKG_KOKKOS=$(usex kokkos)
- #$(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
- -DPKG_MANYBODY=ON
- -DPKG_MC=ON
- -DPKG_MEAM=ON
- -DPKG_MISC=ON
- -DPKG_MOLECULE=ON
- -DPKG_PERI=ON
- -DPKG_QEQ=ON
- -DPKG_REPLICA=ON
- -DPKG_RIGID=ON
- -DPKG_SHOCK=ON
- -DPKG_SRD=ON
- -DPKG_PYTHON=$(usex python)
- -DPKG_MPIIO=$(usex mpi)
- -DPKG_VORONOI=ON
- )
- if use cuda || use opencl || use hip; then
- mycmakeargs+=( -DPKG_GPU=ON )
- use cuda && mycmakeargs+=( -DGPU_API=cuda )
- use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF )
- use hip && mycmakeargs+=( -DGPU_API=hip )
- else
- mycmakeargs+=( -DPKG_GPU=OFF )
- fi
- cmake_src_configure
- if use python; then
- pushd ../python || die
- distutils-r1_src_configure
- popd
- fi
-}
-
-src_compile() {
- cmake_src_compile
- if use python; then
- pushd ../python || die
- distutils-r1_src_compile
- popd
- fi
-}
-
-src_test() {
- cmake_src_test
- if use python; then
- pushd ../python || die
- distutils-r1_src_test
- popd
- fi
-}
-
-src_install() {
- cmake_src_install
- if use python; then
- pushd ../python || die
- distutils-r1_src_install
- popd
- fi
-
- if use examples; then
- for d in examples bench; do
- local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
- insinto "${LAMMPS_EXAMPLES}"
- doins -r "${S}"/../${d}/*
- done
- fi
-}
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