commit: 3407c3f8b7d656feb6a54ef8449ea2b9b7cd983c Author: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org> AuthorDate: Tue Feb 11 13:26:05 2020 +0000 Commit: Nicolas Bock <nicolasbock <AT> gentoo <DOT> org> CommitDate: Fri Feb 14 13:11:12 2020 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3407c3f8
sci-physics/lammps: Drop Python 2.7 Bug: https://bugs.gentoo.org/709012 Package-Manager: Portage-2.3.84, Repoman-2.3.20 Signed-off-by: Nicolas Bock <nicolasbock <AT> gentoo.org> sci-physics/lammps/lammps-20190807-r1.ebuild | 131 +++++++++++++++++++++++++++ 1 file changed, 131 insertions(+) diff --git a/sci-physics/lammps/lammps-20190807-r1.ebuild b/sci-physics/lammps/lammps-20190807-r1.ebuild new file mode 100644 index 00000000000..b1341c65e68 --- /dev/null +++ b/sci-physics/lammps/lammps-20190807-r1.ebuild @@ -0,0 +1,131 @@ +# Copyright 1999-2020 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=6 + +PYTHON_COMPAT=( python3_{6,7} ) + +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=d0394a77fa2b4b2d545a73ea092cf6de7616aac8 +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" +RESTRICT="!test? ( 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 +}
