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sci-physics/lammps: Include bench subdirectory
Using the `examples` USE flag did not include the `bench` subdirectory, which is needed for some of the examples. Fixes: #637672 Package-Manager: Portage-2.3.13, Repoman-2.3.3
This commit is contained in:
Nicolas Bock
131
sci-physics/lammps/lammps-20170901-r1.ebuild
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131
sci-physics/lammps/lammps-20170901-r1.ebuild
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# Copyright 1999-2017 Gentoo Foundation
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# Distributed under the terms of the GNU General Public License v2
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EAPI=6
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PYTHON_COMPAT=( python{2_7,3_4,3_5,3_6} )
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inherit cmake-utils fortran-2 python-r1
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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="patch_$((10#${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="http://lammps.sandia.gov/"
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SRC_URI="https://github.com/lammps/lammps/archive/${MY_PV}.tar.gz -> ${MY_P}.tar.gz"
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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 lammps-memalign mpi netcdf python test"
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DEPEND="
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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? ( ${PYTHON_DEPS} )
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sci-libs/voro++
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virtual/blas
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virtual/lapack
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sci-libs/fftw:3.0
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netcdf? ( sci-libs/netcdf )
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cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 )
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dev-cpp/eigen:3
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"
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RDEPEND="${DEPEND}"
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REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
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S="${WORKDIR}/${MY_P}/cmake"
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src_configure() {
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local mycmakeargs=(
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-DBUILD_SHARED_LIBS=ON
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-DENABLE_MPI=$(usex mpi)
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-DENABLE_GPU=$(usex cuda)
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-DENABLE_TESTING=$(usex test)
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-DENABLE_ASPHERE=ON
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-DENABLE_BODY=ON
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-DENABLE_CLASS2=ON
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-DENABLE_COLLOID=ON
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-DENABLE_COMPRESS=ON
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-DENABLE_CORESHELL=ON
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-DENABLE_DIPOLE=ON
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-DENABLE_GRANULAR=ON
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-DENABLE_KSPACE=ON
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-DFFT=FFTW3
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-DENABLE_MANYBODY=ON
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-DENABLE_MC=ON
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-DENABLE_MEAM=ON
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-DENABLE_MISC=ON
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-DLAMMPS_XDR=ON #630444
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-DENABLE_MOLECULE=ON
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-DENABLE_PERI=ON
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-DENABLE_QEQ=ON
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-DENABLE_REAX=ON
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-DENABLE_REPLICA=ON
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-DENABLE_RIGID=ON
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-DENABLE_SHOCK=ON
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-DENABLE_SNAP=ON
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-DENABLE_SRD=ON
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-DENABLE_PYTHON=ON
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-DENABLE_MPIIO=$(usex mpi)
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-DENABLE_VORONOI=ON
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-DENABLE_USER-ATC=ON
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-DENABLE_USER-AWPMD=ON
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-DENABLE_USER-CGDNA=ON
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-DENABLE_USER-CGSDK=ON
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-DENABLE_USER-COLVARS=ON
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-DENABLE_USER-DIFFRACTION=ON
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-DENABLE_USER-DPD=ON
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-DENABLE_USER-DRUDE=ON
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-DENABLE_USER-EFF=ON
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-DENABLE_USER-FEP=ON
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-DENABLE_USER-H5MD=$(usex mpi)
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-DENABLE_USER-LB=$(usex mpi)
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-DENABLE_USER-MANIFOLD=ON
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-DENABLE_USER-MEAMC=ON
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-DENABLE_USER-MGPT=ON
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-DENABLE_USER-MISC=ON
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-DENABLE_USER-MOLFILE=ON
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-DENABLE_USER-NETCDF=$(usex netcdf)
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-DENABLE_USER-PHONON=ON
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-DENABLE_USER-QTB=ON
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-DENABLE_USER-REAXC=ON
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-DENABLE_USER-SMD=ON
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-DENABLE_USER-SMTBQ=ON
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-DENABLE_USER-SPH=ON
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-DENABLE_USER-TALLY=ON
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)
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cmake-utils_src_configure
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}
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src_install() {
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cmake-utils_src_install
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local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
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insinto "/${LAMMPS_POTENTIALS}"
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doins "${S}"/../potentials/*
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echo "LAMMPS_POTENTIALS=${EROOT}${LAMMPS_POTENTIALS}" > 99lammps
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doenvd 99lammps
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# Install python script.
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use python && python_foreach_impl python_domodule "${S}"/../python/lammps.py
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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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@@ -1,7 +1,7 @@
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<?xml version="1.0" encoding="UTF-8"?>
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<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
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<pkgmetadata>
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<longdescription lang="en">
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<longdescription lang="en">
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LAMMPS is a classical molecular dynamics code, and an acronym for
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Large-scale Atomic/Molecular Massively Parallel Simulator.
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@@ -15,18 +15,18 @@
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techniques and a spatial-decomposition of the simulation domain. The
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code is designed to be easy to modify or extend with new functionality.
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</longdescription>
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<use>
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<flag name="lammps-memalign">Enables the use of the posix_memalign()
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<use>
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<flag name="lammps-memalign">Enables the use of the posix_memalign()
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call instead of malloc() when large chunks or memory are allocated
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by LAMMPS. Aliengnment is on 16 byte boundaries.</flag>
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<flag name="cuda">Enable cuda non-bonded kernels</flag>
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</use>
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<maintainer type="person">
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<email>nicolasbock@gentoo.org</email>
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<name>Nicolas Bock</name>
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</maintainer>
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<maintainer type="project">
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<email>sci-physics@gentoo.org</email>
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<name>Gentoo Physics Project</name>
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</maintainer>
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<flag name="cuda">Enable cuda non-bonded kernels</flag>
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</use>
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<maintainer type="person">
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<email>nicolasbock@gentoo.org</email>
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<name>Nicolas Bock</name>
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</maintainer>
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<maintainer type="project">
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<email>sci-physics@gentoo.org</email>
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<name>Gentoo Physics Project</name>
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</maintainer>
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</pkgmetadata>
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