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author | Christoph Junghans <junghans@gentoo.org> | 2017-09-08 10:38:05 -0600 |
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committer | Christoph Junghans <junghans@gentoo.org> | 2017-09-08 10:38:29 -0600 |
commit | e924538b99132c549fe77b8b3452e21df306f657 (patch) | |
tree | 1046f6f2bc426db80b6731e188992e5c52337825 /sci-physics/lammps/lammps-20170901.ebuild | |
parent | media-gfx/digikam: Raise dependency on media-gfx/exiv2 (diff) | |
download | gentoo-e924538b99132c549fe77b8b3452e21df306f657.tar.gz gentoo-e924538b99132c549fe77b8b3452e21df306f657.tar.bz2 gentoo-e924538b99132c549fe77b8b3452e21df306f657.zip |
sci-physics/lammps: version bump
Package-Manager: Portage-2.3.6, Repoman-2.3.1
Diffstat (limited to 'sci-physics/lammps/lammps-20170901.ebuild')
-rw-r--r-- | sci-physics/lammps/lammps-20170901.ebuild | 126 |
1 files changed, 126 insertions, 0 deletions
diff --git a/sci-physics/lammps/lammps-20170901.ebuild b/sci-physics/lammps/lammps-20170901.ebuild new file mode 100644 index 000000000000..e6d3fe0bd866 --- /dev/null +++ b/sci-physics/lammps/lammps-20170901.ebuild @@ -0,0 +1,126 @@ +# Copyright 1999-2017 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 + +EAPI=6 + +PYTHON_COMPAT=( python{2_7,3_4,3_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="http://lammps.sandia.gov/" +SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.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 + ) + python? ( ${PYTHON_DEPS} ) + sci-libs/voro++ + virtual/blas + virtual/lapack + netcdf? ( sci-libs/netcdf ) + cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) + dev-cpp/eigen:3 + " +RDEPEND="${DEPEND}" + +REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" + +S="${WORKDIR}/${MY_P}/cmake" + +src_configure() { + local mycmakeargs=( + -DBUILD_SHARED_LIBS=ON + -DENABLE_MPI=$(usex mpi) + -DENABLE_GPU=$(usex cuda) + -DENABLE_TESTING=$(usex test) + -DENABLE_ASPHERE=ON + -DENABLE_BODY=ON + -DENABLE_CLASS2=ON + -DENABLE_COLLOID=ON + -DENABLE_COMPRESS=ON + -DENABLE_CORESHELL=ON + -DENABLE_DIPOLE=ON + -DENABLE_GRANULAR=ON + -DENABLE_KSPACE=ON + -DFFT=FFTW3 + -DENABLE_MANYBODY=ON + -DENABLE_MC=ON + -DENABLE_MEAM=ON + -DENABLE_MISC=ON + -DENABLE_MOLECULE=ON + -DENABLE_PERI=ON + -DENABLE_QEQ=ON + -DENABLE_REAX=ON + -DENABLE_REPLICA=ON + -DENABLE_RIGID=ON + -DENABLE_SHOCK=ON + -DENABLE_SNAP=ON + -DENABLE_SRD=ON + -DENABLE_PYTHON=ON + -DENABLE_MPIIO=$(usex mpi) + -DENABLE_VORONOI=ON + -DENABLE_USER-ATC=ON + -DENABLE_USER-AWPMD=ON + -DENABLE_USER-CGDNA=ON + -DENABLE_USER-CGSDK=ON + -DENABLE_USER-COLVARS=ON + -DENABLE_USER-DIFFRACTION=ON + -DENABLE_USER-DPD=ON + -DENABLE_USER-DRUDE=ON + -DENABLE_USER-EFF=ON + -DENABLE_USER-FEP=ON + -DENABLE_USER-H5MD=$(usex mpi) + -DENABLE_USER-LB=$(usex mpi) + -DENABLE_USER-MANIFOLD=ON + -DENABLE_USER-MEAMC=ON + -DENABLE_USER-MGPT=ON + -DENABLE_USER-MISC=ON + -DENABLE_USER-MOLFILE=ON + -DENABLE_USER-NETCDF=$(usex netcdf) + -DENABLE_USER-PHONON=ON + -DENABLE_USER-QTB=ON + -DENABLE_USER-REAXC=ON + -DENABLE_USER-SMD=ON + -DENABLE_USER-SMTBQ=ON + -DENABLE_USER-SPH=ON + -DENABLE_USER-TALLY=ON + ) + cmake-utils_src_configure +} + +src_install() { + cmake-utils_src_install + + local LAMMPS_POTENTIALS="usr/share/${PN}/potentials" + insinto "/${LAMMPS_POTENTIALS}" + doins "${S}"/../potentials/* + echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps + doenvd 99lammps + + # Install python script. + use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py + + if use examples; then + local LAMMPS_EXAMPLES="/usr/share/${PN}/examples" + insinto "${LAMMPS_EXAMPLES}" + doins -r "${S}"/../examples/* + fi +} |