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167 lines
3.3 KiB
167 lines
3.3 KiB
# Copyright 1999-2023 Gentoo Authors
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# Distributed under the terms of the GNU General Public License v2
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EAPI=8
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PYTHON_COMPAT=( python3_{9..11} )
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DISTUTILS_OPTIONAL=1
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DISTUTILS_USE_PEP517=setuptools
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CMAKE_MAKEFILE_GENERATOR=emake
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# Doc building insists on fetching mathjax
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# DOCS_BUILDER="doxygen"
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# DOCS_DEPEND="
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# media-gfx/graphviz
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# dev-libs/mathjax
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# "
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inherit cmake fortran-2 distutils-r1 # docs
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convert_month() {
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local months=( "" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec )
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echo ${months[${1#0}]}
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}
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MY_PV="$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:0:4}"
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MY_P="${PN}-${MY_PV}"
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DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
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HOMEPAGE="https://lammps.sandia.gov/"
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SRC_URI="https://download.lammps.org/tars/${MY_P}.tar.gz"
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S="${WORKDIR}/${MY_P}/cmake"
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LICENSE="GPL-2"
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SLOT="0"
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KEYWORDS="amd64 ~x86"
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IUSE="cuda examples gzip hip lammps-memalign mpi opencl python test"
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# Requires write access to /dev/dri/renderD...
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RESTRICT="test"
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RDEPEND="
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app-arch/gzip
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media-libs/libpng:0
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sys-libs/zlib
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mpi? (
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virtual/mpi
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sci-libs/hdf5:=[mpi]
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)
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python? ( ${PYTHON_DEPS} )
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sci-libs/voro++
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virtual/blas
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virtual/lapack
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sci-libs/fftw:3.0=
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sci-libs/netcdf:=
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cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= )
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opencl? ( virtual/opencl )
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hip? ( dev-util/hip:= )
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dev-cpp/eigen:3
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"
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# Kokkos-3.5 not in tree atm
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# kokkos? ( dev-cpp/kokkos-3.5.* )
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BDEPEND="${DISTUTILS_DEPS}"
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DEPEND="${RDEPEND}
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test? (
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dev-cpp/gtest
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)
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"
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REQUIRED_USE="
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python? ( ${PYTHON_REQUIRED_USE} )
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?? ( cuda opencl hip )
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"
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src_prepare() {
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cmake_src_prepare
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if use python; then
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pushd ../python || die
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distutils-r1_src_prepare
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popd
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fi
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}
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src_configure() {
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local mycmakeargs=(
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-DCMAKE_INSTALL_SYSCONFDIR="${EPREFIX}/etc"
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-DBUILD_SHARED_LIBS=ON
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-DBUILD_MPI=$(usex mpi)
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-DBUILD_DOC=OFF
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#-DBUILD_DOC=$(usex doc)
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-DENABLE_TESTING=$(usex test)
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-DPKG_ASPHERE=ON
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-DPKG_BODY=ON
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-DPKG_CLASS2=ON
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-DPKG_COLLOID=ON
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-DPKG_COMPRESS=ON
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-DPKG_CORESHELL=ON
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-DPKG_DIPOLE=ON
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-DPKG_GRANULAR=ON
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-DPKG_KSPACE=ON
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-DFFT=FFTW3
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-DPKG_KOKKOS=OFF
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#-DPKG_KOKKOS=$(usex kokkos)
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#$(use kokkos && echo -DEXTERNAL_KOKKOS=ON)
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-DPKG_MANYBODY=ON
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-DPKG_MC=ON
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-DPKG_MEAM=ON
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-DPKG_MISC=ON
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-DPKG_MOLECULE=ON
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-DPKG_PERI=ON
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-DPKG_QEQ=ON
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-DPKG_REPLICA=ON
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-DPKG_RIGID=ON
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-DPKG_SHOCK=ON
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-DPKG_SRD=ON
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-DPKG_PYTHON=$(usex python)
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-DPKG_MPIIO=$(usex mpi)
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-DPKG_VORONOI=ON
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)
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if use cuda || use opencl || use hip; then
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mycmakeargs+=( -DPKG_GPU=ON )
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use cuda && mycmakeargs+=( -DGPU_API=cuda )
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use opencl && mycmakeargs+=( -DGPU_API=opencl -DUSE_STATIC_OPENCL_LOADER=OFF )
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use hip && mycmakeargs+=( -DGPU_API=hip )
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else
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mycmakeargs+=( -DPKG_GPU=OFF )
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fi
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cmake_src_configure
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if use python; then
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pushd ../python || die
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distutils-r1_src_configure
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popd
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fi
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}
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src_compile() {
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cmake_src_compile
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if use python; then
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pushd ../python || die
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distutils-r1_src_compile
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popd
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fi
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}
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src_test() {
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cmake_src_test
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if use python; then
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pushd ../python || die
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distutils-r1_src_test
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popd
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fi
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}
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src_install() {
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cmake_src_install
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if use python; then
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pushd ../python || die
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distutils-r1_src_install
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popd
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fi
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if use examples; then
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for d in examples bench; do
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local LAMMPS_EXAMPLES="/usr/share/${PN}/${d}"
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insinto "${LAMMPS_EXAMPLES}"
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doins -r "${S}"/../${d}/*
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done
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fi
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}
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