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-rw-r--r--sci-physics/lammps/Manifest10
-rw-r--r--sci-physics/lammps/lammps-20220217.ebuild164
-rw-r--r--sci-physics/lammps/lammps-20220623.ebuild166
-rw-r--r--sci-physics/lammps/lammps-20230328.ebuild166
-rw-r--r--sci-physics/lammps/lammps-20240829.ebuild (renamed from sci-physics/lammps/lammps-20220217-r1.ebuild)52
5 files changed, 41 insertions, 517 deletions
diff --git a/sci-physics/lammps/Manifest b/sci-physics/lammps/Manifest
index 04beb02272d0..92c0a1f8ae88 100644
--- a/sci-physics/lammps/Manifest
+++ b/sci-physics/lammps/Manifest
@@ -1,11 +1,7 @@
-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
-EBUILD lammps-20220217-r1.ebuild 3362 BLAKE2B d08fd17d538e328e94be8b1587e4d590880d828e78341b300948205bca7197e75d3baa5a9228b5766be6565089648913fe67dcae6b769bf4efebadabf0c10cce SHA512 8f80ea76371e49ed52ca561ad01cfc7a912108bd7c8fd99275bc84219bbcb6a9dd870ce4fa78cb8ebc6f0c431591d48cecdb728c0165da867a44907a5cf6bac5
-EBUILD lammps-20220217.ebuild 3302 BLAKE2B 9d150c28215f36022c5a094c54062b6eb2a7cdabfc1047cbd504ce5de9d5109cc55f2a7c44d973fb21817329061b5036c28f812dfa4ea442263d9a5a3bead137 SHA512 5613165d1ee6be3c39305163882f457cbda531276a9a32fbc8619608750cc913af88d2aa2c0575335f1d2248bf09131e53ca2c61b3dc81935a4068224527121c
-EBUILD lammps-20220623.ebuild 3362 BLAKE2B d08fd17d538e328e94be8b1587e4d590880d828e78341b300948205bca7197e75d3baa5a9228b5766be6565089648913fe67dcae6b769bf4efebadabf0c10cce SHA512 8f80ea76371e49ed52ca561ad01cfc7a912108bd7c8fd99275bc84219bbcb6a9dd870ce4fa78cb8ebc6f0c431591d48cecdb728c0165da867a44907a5cf6bac5
-EBUILD lammps-20230328.ebuild 3362 BLAKE2B d08fd17d538e328e94be8b1587e4d590880d828e78341b300948205bca7197e75d3baa5a9228b5766be6565089648913fe67dcae6b769bf4efebadabf0c10cce SHA512 8f80ea76371e49ed52ca561ad01cfc7a912108bd7c8fd99275bc84219bbcb6a9dd870ce4fa78cb8ebc6f0c431591d48cecdb728c0165da867a44907a5cf6bac5
+DIST lammps-gtest-1.12.1.tar.gz 854944 BLAKE2B 7b121fb95bb19efec1387a83da2201a139197225f79f7649ceac04695ff06fc4148319ae928d79ced413a9cfd42e68b56bfda1ee6bfdbf07fdd22795e9974388 SHA512 a9104dc6c53747e36e7dd7bb93dfce51a558bd31b487a9ef08def095518e1296da140e0db263e0644d9055dbd903c0cb69380cb2322941dbfb04780ef247df9c
+DIST stable_29Aug2024.tar.gz 141582660 BLAKE2B a90233840ff2cb98dd28851137f84820bfa3618488e46f9f304aaa9c2425f40750771b15677ed07b3606eb78b50c8beb26c3933ff71c48c0c2911ca3743647d6 SHA512 c6755da36d78d1f8e13db4c1f473db2c15d062ed79b15e110031b6501388a67f47d62d71fe367a111f7dd6cb58c7d6e358eed7e69589e06f735039ee794f4618
EBUILD lammps-20230802-r1.ebuild 3664 BLAKE2B d19739e7d46cce856f01ac3a16818517265be5295d215b6d58644e095ea5f8def1555b9b8fddd64ed96d159e1a143e50c0e69a4949179641379e5a2eb712472c SHA512 95a3b221101b4c78d3e69b040272a0ffa03ed6f3a38d77e95fb491fe7834990feb06a0bc3ba8038a3f9c30fe75c78177ef335c4598bbe1a3f484fa9572361461
EBUILD lammps-20230802.ebuild 3362 BLAKE2B 26876d3763803a7458a5cb9ade61b756b2b899359dc36c576adcf24acf0c5fcc0dd6c239af74c2890cd1c8860915e5e5f2cacc6b4e23f081695e6f3043f6086e SHA512 1c7d263f1b6d2f9ff420435bc6dc2d2ebaaf711cd2dd7ceae10f87ec7cd8114e1f642f0d1e6c49c1c07e418a49c2b3f397c3331d637735fc08393defc23bbbfc
+EBUILD lammps-20240829.ebuild 4030 BLAKE2B b844129dc35642607364571ea5f2e086835775c5bc06f8b1fc5eaeb2ace7462fc4ea69974acd1a2e097a912b4193ec9f622a32863e580d99190d246317ea1657 SHA512 0528b3c6eabe9cf3b6b8b43bc4bbfffeeb395683fb2e5782d07207bf9e378dd587914cee1490008b01bf8e58ef504c9fe20da8f815b34582265970acc208c9e1
MISC metadata.xml 1569 BLAKE2B e4da01462a560168366d1c874a2dc994479d9911594167f82b498b9bc9e350b5e13e8f402262ee9c3abda6ccf77fa486ae1449db8b0f39c83c96f379b38ab6e1 SHA512 6820e92996b9db62ed03ea86fd70c95bc6609c04a9fef47bccc6a5c8de58ab342a03a1d0dd537af1762343dd8ce603f42618d6b5ff973d459feb816b1238e27a
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
-}
diff --git a/sci-physics/lammps/lammps-20220217-r1.ebuild b/sci-physics/lammps/lammps-20240829.ebuild
index 15f4355d109d..7d4d92c21ff8 100644
--- a/sci-physics/lammps/lammps-20220217-r1.ebuild
+++ b/sci-physics/lammps/lammps-20240829.ebuild
@@ -1,9 +1,9 @@
-# Copyright 1999-2023 Gentoo Authors
+# Copyright 1999-2024 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
-PYTHON_COMPAT=( python3_{9..11} )
+PYTHON_COMPAT=( python3_{10..12} )
DISTUTILS_OPTIONAL=1
DISTUTILS_USE_PEP517=setuptools
CMAKE_MAKEFILE_GENERATOR=emake
@@ -22,17 +22,22 @@ convert_month() {
}
MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
-MY_P="${PN}-${MY_PV}"
+MY_P="${PN}-stable_${MY_PV}"
DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
-HOMEPAGE="https://lammps.sandia.gov/"
-SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz"
+HOMEPAGE="https://www.lammps.org"
+SRC_URI="
+ https://github.com/lammps/lammps/archive/refs/tags/stable_${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}/${MY_P}/cmake"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="amd64 ~x86"
-IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda examples extra gzip hip lammps-memalign mpi opencl openmp python test"
# Requires write access to /dev/dri/renderD...
RESTRICT="test"
@@ -52,7 +57,10 @@ RDEPEND="
sci-libs/netcdf:=
cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
opencl? ( virtual/opencl )
- hip? ( dev-util/hip:= )
+ hip? (
+ dev-util/hip:=
+ sci-libs/hipCUB:=
+ )
dev-cpp/eigen:3
"
# Kokkos-3.5 not in tree atm
@@ -61,6 +69,7 @@ BDEPEND="${DISTUTILS_DEPS}"
DEPEND="${RDEPEND}
test? (
dev-cpp/gtest
+ dev-libs/libyaml
)
"
@@ -74,7 +83,11 @@ src_prepare() {
if use python; then
pushd ../python || die
distutils-r1_src_prepare
- popd
+ popd || die
+ fi
+ if use test; then
+ mkdir "${BUILD_DIR}/_deps"
+ cp "${DISTDIR}/${PN}-gtest-1.12.1.tar.gz" "${BUILD_DIR}/_deps/release-1.12.1.tar.gz"
fi
}
@@ -93,6 +106,11 @@ src_configure() {
-DPKG_COMPRESS=ON
-DPKG_CORESHELL=ON
-DPKG_DIPOLE=ON
+ -DPKG_EXTRA-COMPUTE=$(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
@@ -104,6 +122,7 @@ src_configure() {
-DPKG_MEAM=ON
-DPKG_MISC=ON
-DPKG_MOLECULE=ON
+ -DPKG_OPENMP=$(usex openmp)
-DPKG_PERI=ON
-DPKG_QEQ=ON
-DPKG_REPLICA=ON
@@ -118,7 +137,7 @@ src_configure() {
mycmakeargs+=( -DPKG_GPU=ON )
use cuda && mycmakeargs+=( -DGPU_API=cuda )
use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF )
- use hip && mycmakeargs+=( -DGPU_API=hip )
+ use hip && mycmakeargs+=( -DGPU_API=hip -DHIP_PATH="${EPREFIX}/usr" )
else
mycmakeargs+=( -DPKG_GPU=OFF )
fi
@@ -126,7 +145,7 @@ src_configure() {
if use python; then
pushd ../python || die
distutils-r1_src_configure
- popd
+ popd || die
fi
}
@@ -135,7 +154,7 @@ src_compile() {
if use python; then
pushd ../python || die
distutils-r1_src_compile
- popd
+ popd || die
fi
}
@@ -144,16 +163,21 @@ src_test() {
if use python; then
pushd ../python || die
distutils-r1_src_test
- popd
+ 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
+ popd || die
fi
if use examples; then
generated by cgit v1.2.3 (git 2.25.1) at 2025-01-21 20:38:32 +0000