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From: "Justin Lecher" <jlec@gentoo.org>
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Subject: [gentoo-commits] proj/sci:master commit in: sci-chemistry/nwchem/
X-VCS-Repository: proj/sci
X-VCS-Files: sci-chemistry/nwchem/ChangeLog sci-chemistry/nwchem/nwchem-6.1.1.ebuild sci-chemistry/nwchem/nwchem-6.3.ebuild
X-VCS-Directories: sci-chemistry/nwchem/
X-VCS-Committer: jlec
X-VCS-Committer-Name: Justin Lecher
X-VCS-Revision: 5a271b3db8d5d033b9e3a725cca02d5bfa2fa42f
X-VCS-Branch: master
Date: Sun, 16 Jun 2013 15:53:47 +0000 (UTC)
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commit: 5a271b3db8d5d033b9e3a725cca02d5bfa2fa42f
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Sun Jun 16 14:29:57 2013 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Sun Jun 16 14:29:57 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=5a271b3d
sci-chemistry/nwchem: Drop old; drop virtual/fortran as the eclass depends on it
Package-Manager: portage-2.2.0_alpha180
---
sci-chemistry/nwchem/ChangeLog | 4 +
sci-chemistry/nwchem/nwchem-6.1.1.ebuild | 126 -------------------------------
sci-chemistry/nwchem/nwchem-6.3.ebuild | 10 ++-
3 files changed, 10 insertions(+), 130 deletions(-)
diff --git a/sci-chemistry/nwchem/ChangeLog b/sci-chemistry/nwchem/ChangeLog
index a93271c..01bbf79 100644
--- a/sci-chemistry/nwchem/ChangeLog
+++ b/sci-chemistry/nwchem/ChangeLog
@@ -2,6 +2,10 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 16 Jun 2013; Justin Lecher <jlec@gentoo.org> -nwchem-6.1.1.ebuild,
+ nwchem-6.3.ebuild:
+ Drop old; drop virtual/fortran as the eclass depends on it
+
04 Jun 2013; Justin Lecher <jlec@gentoo.org> nwchem-6.3.ebuild:
Fix for correct usage of new python eclasses
diff --git a/sci-chemistry/nwchem/nwchem-6.1.1.ebuild b/sci-chemistry/nwchem/nwchem-6.1.1.ebuild
deleted file mode 100644
index a019608..0000000
--- a/sci-chemistry/nwchem/nwchem-6.1.1.ebuild
+++ /dev/null
@@ -1,126 +0,0 @@
-# Copyright 1999-2013 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: $
-
-EAPI=5
-
-inherit eutils fortran-2 multilib python toolchain-funcs
-
-DATE="2012-06-27"
-
-DESCRIPTION="NWChem: Delivering High-Performance Computational Chemistry to Science"
-HOMEPAGE="http://www.nwchem-sw.org/index.php/Main_Page"
-SRC_URI="http://www.nwchem-sw.org/images/Nwchem-${PV}-src.${DATE}.tar.gz"
-
-LICENSE="ECL-2.0"
-SLOT="0"
-KEYWORDS="~x86 ~amd64"
-IUSE="mpi examples nwchem-tests python"
-
-RDEPEND="sys-fs/sysfsutils"
-DEPEND="${RDEPEND}
- virtual/fortran
- mpi? ( virtual/mpi[fortran] )"
-
-S="${WORKDIR}/${P}-src"
-
-pkg_setup() {
- fortran-2_pkg_setup
- use python && python_set_active_version 2 && python_pkg_setup
-}
-
-src_prepare() {
- epatch \
- "${FILESDIR}"/nwchem-${PV}-makefile.patch \
- "${FILESDIR}"/nwchem-${PV}-nwchemrc.patch \
- "${FILESDIR}"/nwchem-${PV}-adjust-dir-length.patch
- use python && "${FILESDIR}"/nwchem-${PV}-python_makefile.patch
-
- sed \
- -e "s:DBASIS_LIBRARY=\"'\$(SRCDIR)'\":DBASIS_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \
- -i src/basis/MakeFile src/basis/GNUmakefile || die
- sed \
- -e "s:DNWPW_LIBRARY=\"'\$(SRCDIR)'\":DNWPW_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \
- -i src/nwpw/libraryps/GNUmakefile || die
- sed \
- -e "s:-DCOMPILATION_DIR=\"'\$(TOPDIR)'\":-DCOMPILATION_DIR=\"''\":g" \
- -i src/GNUmakefile src/MakeFile || die
-
- if [[ $(tc-getFC) == *-*-*-*-gfortran ]]; then
- sed \
- -e "s:ifneq (\$(FC),gfortran):ifneq (\$(FC),$(tc-getFC)):g" \
- -e "s:ifeq (\$(FC),gfortran):ifeq (\$(FC),$(tc-getFC)):g" \
- -i src/config/makefile.h || die
- fi
-}
-
-src_compile() {
- export USE_SUBGROUPS=yes
- if use mpi ; then
- export MSG_COMMS=MPI
- export USE_MPI=yes
- export MPI_LOC=/usr
- export MPI_INCLUDE=$MPI_LOC/include
- export MPI_LIB=$MPI_LOC/$(get_libdir)
- export LIBMPI="$(mpif90 -showme:link)"
- fi
- if [ "$ARCH" = "amd64" ]; then
- export NWCHEM_TARGET=LINUX64
- elif [ "$ARCH" = "ia64" ]; then
- export NWCHEM_TARGET=LINUX64
- elif [ "$ARCH" = "x86" ]; then
- export NWCHEM_TARGET=LINUX
- elif [ "$ARCH" = "ppc" ]; then
- export NWCHEM_TARGET=LINUX
- else
- die "Unknown architecture"
- fi
- if use python ; then
- if [ "$ARCH" = "amd64" ] || [ "$ARCH" = "ia64" ]; then
- export USE_PYTHON64=yes
- fi
- export PYTHONHOME=/usr
- export PYTHONVERSION=$(eselect python show|awk -Fpython '{ print $2 }')
- export PYTHONPATH="./:${S}/contrib/python/"
- export NWCHEM_MODULES="all python"
- else
- export NWCHEM_MODULES="all"
- fi
-
- cd src
- emake \
- DIAG=PAR \
- FC=$(tc-getFC) \
- CC=$(tc-getCC) \
- CXX=$(tc-getCXX) \
- NWCHEM_TOP="${S}" \
- NWCHEM_EXECUTABLE="${S}/bin/${NWCHEM_TARGET}/nwchem"
-}
-
-src_install() {
- dobin bin/${NWCHEM_TARGET}/nwchem
-
- insinto /usr/share/NWChem/basis/
- doins -r src/basis/libraries src/data
- insinto /usr/share/NWChem/nwpw
- doins -r src/nwpw/libraryps
-
- insinto /etc
- doins nwchemrc
-
- use examples && \
- insinto /usr/share/NWChem/ && \
- doins -r examples
-
- use nwchem-tests \
- insinto /usr/share/NWChem \
- doins -r QA/tests
-}
-
-pkg_postinst() {
- echo
- elog "The user will need to link \$HOME/.nwchemrc to /etc/nwchemrc"
- elog "or copy it in order to tell NWChem the right position of the"
- elog "basis library and other necessary data."
- echo
-}
diff --git a/sci-chemistry/nwchem/nwchem-6.3.ebuild b/sci-chemistry/nwchem/nwchem-6.3.ebuild
index 69748f2..4395d15 100644
--- a/sci-chemistry/nwchem/nwchem-6.3.ebuild
+++ b/sci-chemistry/nwchem/nwchem-6.3.ebuild
@@ -5,11 +5,12 @@
EAPI=5
PYTHON_COMPAT=( python{2_6,2_7} )
+
inherit eutils fortran-2 multilib python-single-r1 toolchain-funcs
DATE="2013-05-17"
-DESCRIPTION="NWChem: Delivering High-Performance Computational Chemistry to Science"
+DESCRIPTION="Delivering High-Performance Computational Chemistry to Science"
HOMEPAGE="http://www.nwchem-sw.org/index.php/Main_Page"
SRC_URI="http://www.nwchem-sw.org/images/Nwchem-${PV}-src.${DATE}.tar.gz"
@@ -20,13 +21,14 @@ IUSE="mpi doc examples nwchem-tests python"
REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-RDEPEND="sys-fs/sysfsutils
+RDEPEND="
+ sys-fs/sysfsutils
python? ( ${PYTHON_DEPS} )"
DEPEND="${RDEPEND}
- virtual/fortran
app-shells/tcsh
mpi? ( virtual/mpi[fortran] )
- doc? ( dev-texlive/texlive-latex
+ doc? (
+ dev-texlive/texlive-latex
dev-tex/latex2html )"
S="${WORKDIR}/${P}-src.${DATE}"
From mboxrd@z Thu Jan 1 00:00:00 1970
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From: "Justin Lecher" <jlec@gentoo.org>
To: gentoo-commits@lists.gentoo.org
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Reply-To: gentoo-dev@lists.gentoo.org, "Justin Lecher" <jlec@gentoo.org>
Message-ID: <1371392997.5a271b3db8d5d033b9e3a725cca02d5bfa2fa42f.jlec@gentoo>
Subject: [gentoo-commits] proj/sci:fixing commit in: sci-chemistry/nwchem/
X-VCS-Repository: proj/sci
X-VCS-Files: sci-chemistry/nwchem/ChangeLog sci-chemistry/nwchem/nwchem-6.1.1.ebuild sci-chemistry/nwchem/nwchem-6.3.ebuild
X-VCS-Directories: sci-chemistry/nwchem/
X-VCS-Committer: jlec
X-VCS-Committer-Name: Justin Lecher
X-VCS-Revision: 5a271b3db8d5d033b9e3a725cca02d5bfa2fa42f
X-VCS-Branch: fixing
Date: Sun, 16 Jun 2013 15:53:45 +0000 (UTC)
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commit: 5a271b3db8d5d033b9e3a725cca02d5bfa2fa42f
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Sun Jun 16 14:29:57 2013 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Sun Jun 16 14:29:57 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=5a271b3d
sci-chemistry/nwchem: Drop old; drop virtual/fortran as the eclass depends on it
Package-Manager: portage-2.2.0_alpha180
---
sci-chemistry/nwchem/ChangeLog | 4 +
sci-chemistry/nwchem/nwchem-6.1.1.ebuild | 126 -------------------------------
sci-chemistry/nwchem/nwchem-6.3.ebuild | 10 ++-
3 files changed, 10 insertions(+), 130 deletions(-)
diff --git a/sci-chemistry/nwchem/ChangeLog b/sci-chemistry/nwchem/ChangeLog
index a93271c..01bbf79 100644
--- a/sci-chemistry/nwchem/ChangeLog
+++ b/sci-chemistry/nwchem/ChangeLog
@@ -2,6 +2,10 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 16 Jun 2013; Justin Lecher <jlec@gentoo.org> -nwchem-6.1.1.ebuild,
+ nwchem-6.3.ebuild:
+ Drop old; drop virtual/fortran as the eclass depends on it
+
04 Jun 2013; Justin Lecher <jlec@gentoo.org> nwchem-6.3.ebuild:
Fix for correct usage of new python eclasses
diff --git a/sci-chemistry/nwchem/nwchem-6.1.1.ebuild b/sci-chemistry/nwchem/nwchem-6.1.1.ebuild
deleted file mode 100644
index a019608..0000000
--- a/sci-chemistry/nwchem/nwchem-6.1.1.ebuild
+++ /dev/null
@@ -1,126 +0,0 @@
-# Copyright 1999-2013 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: $
-
-EAPI=5
-
-inherit eutils fortran-2 multilib python toolchain-funcs
-
-DATE="2012-06-27"
-
-DESCRIPTION="NWChem: Delivering High-Performance Computational Chemistry to Science"
-HOMEPAGE="http://www.nwchem-sw.org/index.php/Main_Page"
-SRC_URI="http://www.nwchem-sw.org/images/Nwchem-${PV}-src.${DATE}.tar.gz"
-
-LICENSE="ECL-2.0"
-SLOT="0"
-KEYWORDS="~x86 ~amd64"
-IUSE="mpi examples nwchem-tests python"
-
-RDEPEND="sys-fs/sysfsutils"
-DEPEND="${RDEPEND}
- virtual/fortran
- mpi? ( virtual/mpi[fortran] )"
-
-S="${WORKDIR}/${P}-src"
-
-pkg_setup() {
- fortran-2_pkg_setup
- use python && python_set_active_version 2 && python_pkg_setup
-}
-
-src_prepare() {
- epatch \
- "${FILESDIR}"/nwchem-${PV}-makefile.patch \
- "${FILESDIR}"/nwchem-${PV}-nwchemrc.patch \
- "${FILESDIR}"/nwchem-${PV}-adjust-dir-length.patch
- use python && "${FILESDIR}"/nwchem-${PV}-python_makefile.patch
-
- sed \
- -e "s:DBASIS_LIBRARY=\"'\$(SRCDIR)'\":DBASIS_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \
- -i src/basis/MakeFile src/basis/GNUmakefile || die
- sed \
- -e "s:DNWPW_LIBRARY=\"'\$(SRCDIR)'\":DNWPW_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \
- -i src/nwpw/libraryps/GNUmakefile || die
- sed \
- -e "s:-DCOMPILATION_DIR=\"'\$(TOPDIR)'\":-DCOMPILATION_DIR=\"''\":g" \
- -i src/GNUmakefile src/MakeFile || die
-
- if [[ $(tc-getFC) == *-*-*-*-gfortran ]]; then
- sed \
- -e "s:ifneq (\$(FC),gfortran):ifneq (\$(FC),$(tc-getFC)):g" \
- -e "s:ifeq (\$(FC),gfortran):ifeq (\$(FC),$(tc-getFC)):g" \
- -i src/config/makefile.h || die
- fi
-}
-
-src_compile() {
- export USE_SUBGROUPS=yes
- if use mpi ; then
- export MSG_COMMS=MPI
- export USE_MPI=yes
- export MPI_LOC=/usr
- export MPI_INCLUDE=$MPI_LOC/include
- export MPI_LIB=$MPI_LOC/$(get_libdir)
- export LIBMPI="$(mpif90 -showme:link)"
- fi
- if [ "$ARCH" = "amd64" ]; then
- export NWCHEM_TARGET=LINUX64
- elif [ "$ARCH" = "ia64" ]; then
- export NWCHEM_TARGET=LINUX64
- elif [ "$ARCH" = "x86" ]; then
- export NWCHEM_TARGET=LINUX
- elif [ "$ARCH" = "ppc" ]; then
- export NWCHEM_TARGET=LINUX
- else
- die "Unknown architecture"
- fi
- if use python ; then
- if [ "$ARCH" = "amd64" ] || [ "$ARCH" = "ia64" ]; then
- export USE_PYTHON64=yes
- fi
- export PYTHONHOME=/usr
- export PYTHONVERSION=$(eselect python show|awk -Fpython '{ print $2 }')
- export PYTHONPATH="./:${S}/contrib/python/"
- export NWCHEM_MODULES="all python"
- else
- export NWCHEM_MODULES="all"
- fi
-
- cd src
- emake \
- DIAG=PAR \
- FC=$(tc-getFC) \
- CC=$(tc-getCC) \
- CXX=$(tc-getCXX) \
- NWCHEM_TOP="${S}" \
- NWCHEM_EXECUTABLE="${S}/bin/${NWCHEM_TARGET}/nwchem"
-}
-
-src_install() {
- dobin bin/${NWCHEM_TARGET}/nwchem
-
- insinto /usr/share/NWChem/basis/
- doins -r src/basis/libraries src/data
- insinto /usr/share/NWChem/nwpw
- doins -r src/nwpw/libraryps
-
- insinto /etc
- doins nwchemrc
-
- use examples && \
- insinto /usr/share/NWChem/ && \
- doins -r examples
-
- use nwchem-tests \
- insinto /usr/share/NWChem \
- doins -r QA/tests
-}
-
-pkg_postinst() {
- echo
- elog "The user will need to link \$HOME/.nwchemrc to /etc/nwchemrc"
- elog "or copy it in order to tell NWChem the right position of the"
- elog "basis library and other necessary data."
- echo
-}
diff --git a/sci-chemistry/nwchem/nwchem-6.3.ebuild b/sci-chemistry/nwchem/nwchem-6.3.ebuild
index 69748f2..4395d15 100644
--- a/sci-chemistry/nwchem/nwchem-6.3.ebuild
+++ b/sci-chemistry/nwchem/nwchem-6.3.ebuild
@@ -5,11 +5,12 @@
EAPI=5
PYTHON_COMPAT=( python{2_6,2_7} )
+
inherit eutils fortran-2 multilib python-single-r1 toolchain-funcs
DATE="2013-05-17"
-DESCRIPTION="NWChem: Delivering High-Performance Computational Chemistry to Science"
+DESCRIPTION="Delivering High-Performance Computational Chemistry to Science"
HOMEPAGE="http://www.nwchem-sw.org/index.php/Main_Page"
SRC_URI="http://www.nwchem-sw.org/images/Nwchem-${PV}-src.${DATE}.tar.gz"
@@ -20,13 +21,14 @@ IUSE="mpi doc examples nwchem-tests python"
REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-RDEPEND="sys-fs/sysfsutils
+RDEPEND="
+ sys-fs/sysfsutils
python? ( ${PYTHON_DEPS} )"
DEPEND="${RDEPEND}
- virtual/fortran
app-shells/tcsh
mpi? ( virtual/mpi[fortran] )
- doc? ( dev-texlive/texlive-latex
+ doc? (
+ dev-texlive/texlive-latex
dev-tex/latex2html )"
S="${WORKDIR}/${P}-src.${DATE}"