From: "Nicolas Bock" <nicolasbock@gentoo.org>
To: gentoo-commits@lists.gentoo.org
Subject: [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/
Date: Fri, 5 May 2023 18:00:36 +0000 (UTC) [thread overview]
Message-ID: <1683309627.92b72f2a55132f8f982f4b38bdfa882813718d34.nicolasbock@gentoo> (raw)
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
+}
next reply other threads:[~2023-05-05 18:00 UTC|newest]
Thread overview: 81+ messages / expand[flat|nested] mbox.gz Atom feed top
2023-05-05 18:00 Nicolas Bock [this message]
-- strict thread matches above, loose matches on Subject: below --
2024-12-04 18:52 [gentoo-commits] repo/gentoo:master commit in: sci-physics/lammps/ Sam James
2024-09-27 8:58 Andrew Ammerlaan
2024-09-27 8:58 Andrew Ammerlaan
2024-01-11 9:12 Andrew Ammerlaan
2023-12-18 19:03 Nicolas Bock
2023-06-09 15:06 Arthur Zamarin
2023-05-03 18:06 Nicolas Bock
2022-12-24 19:13 Andreas Sturmlechner
2022-12-24 18:19 Arthur Zamarin
2022-12-24 18:19 Arthur Zamarin
2022-03-10 9:04 Jakov Smolić
2022-03-04 17:38 Andrew Ammerlaan
2022-03-01 9:27 David Seifert
2021-12-28 22:00 Sam James
2021-09-26 18:11 Arthur Zamarin
2021-04-18 7:05 Michał Górny
2021-04-18 1:44 Sam James
2021-04-13 19:12 Nicolas Bock
2020-08-08 1:25 Sam James
2020-07-27 23:36 Sam James
2020-05-07 15:17 Michał Górny
2020-04-20 1:51 Christoph Junghans
2020-03-15 13:37 Christoph Junghans
2020-03-05 0:31 Christoph Junghans
2020-02-14 13:11 Nicolas Bock
2020-02-14 13:11 Nicolas Bock
2020-02-13 21:40 David Seifert
2019-08-15 22:06 Christoph Junghans
2019-06-06 2:08 Christoph Junghans
2019-05-05 1:02 Aaron Bauman
2018-12-12 15:02 Christoph Junghans
2018-08-31 16:57 Christoph Junghans
2018-04-23 2:30 Aaron Bauman
2018-04-04 13:09 Christoph Junghans
2018-03-08 20:21 Christoph Junghans
2018-03-05 18:11 Christoph Junghans
2018-01-29 2:59 Christoph Junghans
2017-11-19 15:10 Nicolas Bock
2017-09-12 13:09 Christoph Junghans
2017-09-08 16:38 Christoph Junghans
2017-08-05 9:52 Michael Palimaka
2017-07-31 11:36 Tobias Klausmann
2017-07-11 22:09 Christoph Junghans
2017-06-15 17:37 Pacho Ramos
2017-01-13 16:02 Andrew Savchenko
2016-04-19 13:07 Nicolas Bock
2016-04-18 11:31 Nicolas Bock
2016-04-15 11:13 Nicolas Bock
2016-04-15 9:59 Nicolas Bock
2016-04-15 7:38 Nicolas Bock
2016-04-14 8:06 Nicolas Bock
2016-01-25 12:50 Nicolas Bock
2016-01-23 16:59 Agostino Sarubbo
2016-01-19 17:07 Nicolas Bock
2015-12-17 15:13 Nicolas Bock
2015-12-17 13:50 Nicolas Bock
2015-12-16 13:54 Nicolas Bock
2015-12-16 13:43 Nicolas Bock
2015-12-02 13:26 Nicolas Bock
2015-11-09 12:55 Nicolas Bock
2015-11-06 23:35 Nicolas Bock
2015-10-28 19:30 Nicolas Bock
2015-10-28 19:26 Nicolas Bock
2015-10-28 12:25 Nicolas Bock
2015-10-28 12:11 Nicolas Bock
2015-10-23 12:09 Nicolas Bock
2015-10-22 22:08 Nicolas Bock
2015-10-08 12:32 Nicolas Bock
2015-09-25 14:13 Agostino Sarubbo
2015-09-24 23:04 Nicolas Bock
2015-09-24 10:36 Agostino Sarubbo
2015-09-17 10:51 Nicolas Bock
2015-09-13 20:30 Nicolas Bock
2015-09-04 15:29 Nicolas Bock
2015-09-02 12:03 Nicolas Bock
2015-08-31 14:40 Nicolas Bock
2015-08-31 14:38 Nicolas Bock
2015-08-19 11:29 Nicolas Bock
2015-08-17 18:43 Nicolas Bock
2015-08-17 18:43 Nicolas Bock
Reply instructions:
You may reply publicly to this message via plain-text email
using any one of the following methods:
* Save the following mbox file, import it into your mail client,
and reply-to-all from there: mbox
Avoid top-posting and favor interleaved quoting:
https://en.wikipedia.org/wiki/Posting_style#Interleaved_style
* Reply using the --to, --cc, and --in-reply-to
switches of git-send-email(1):
git send-email \
--in-reply-to=1683309627.92b72f2a55132f8f982f4b38bdfa882813718d34.nicolasbock@gentoo \
--to=nicolasbock@gentoo.org \
--cc=gentoo-commits@lists.gentoo.org \
--cc=gentoo-dev@lists.gentoo.org \
/path/to/YOUR_REPLY
https://kernel.org/pub/software/scm/git/docs/git-send-email.html
* If your mail client supports setting the In-Reply-To header
via mailto: links, try the mailto: link
Be sure your reply has a Subject: header at the top and a blank line
before the message body.
This is a public inbox, see mirroring instructions
for how to clone and mirror all data and code used for this inbox