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author | Christoph Junghans <junghans@gentoo.org> | 2019-06-05 20:07:24 -0600 |
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committer | Christoph Junghans <junghans@gentoo.org> | 2019-06-05 20:07:52 -0600 |
commit | 8755577391662880596e55760860d7ffe65318a5 (patch) | |
tree | 6ea5b312d8ade807df8b0d292b3ee0e214029ec1 /sci-physics/lammps/lammps-20190605.ebuild | |
parent | package.mask: mask dev-util/antlrworks for removal (diff) | |
download | gentoo-8755577391662880596e55760860d7ffe65318a5.tar.gz gentoo-8755577391662880596e55760860d7ffe65318a5.tar.bz2 gentoo-8755577391662880596e55760860d7ffe65318a5.zip |
sci-physics/lammps: version bump
Package-Manager: Portage-2.3.62, Repoman-2.3.11
Signed-off-by: Christoph Junghans <junghans@gentoo.org>
Diffstat (limited to 'sci-physics/lammps/lammps-20190605.ebuild')
-rw-r--r-- | sci-physics/lammps/lammps-20190605.ebuild | 130 |
1 files changed, 130 insertions, 0 deletions
diff --git a/sci-physics/lammps/lammps-20190605.ebuild b/sci-physics/lammps/lammps-20190605.ebuild new file mode 100644 index 000000000000..81ec8546eee7 --- /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 +} |