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# Copyright 1999-2014 Gentoo Foundation
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# Distributed under the terms of the GNU General Public License v2
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# $Header: /var/cvsroot/gentoo-x86/sci-physics/lammps/lammps-20140212.ebuild,v 1.3 2014/02/18 12:12:39 nicolasbock Exp $
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EAPI=5
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FORTRAN_NEEDED="lammps-package-meam"
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inherit eutils fortran-2
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convert_month() {
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case $1 in
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01) echo Jan
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;;
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02) echo Feb
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;;
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03) echo Mar
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;;
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04) echo Apr
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;;
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05) echo May
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;;
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06) echo Jun
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;;
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07) echo Jul
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;;
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08) echo Aug
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;;
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09) echo Sep
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;;
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10) echo Oct
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;;
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11) echo Nov
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;;
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12) echo Dec
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;;
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*) echo unknown
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;;
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esac
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}
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MY_P=${PN}-$((10#${PV:6:2}))$(convert_month ${PV:4:2})${PV:2:2}
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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="http://lammps.sandia.gov/tars/${MY_P}.tar.gz"
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LICENSE="GPL-2"
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SLOT="0"
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KEYWORDS="~amd64"
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IUSE="doc examples gzip lammps-memalign lammps-package-dipole
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lammps-package-meam lammps-package-reax lammps-package-rigid mpi"
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DEPEND="mpi? ( virtual/mpi )"
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RDEPEND="${DEPEND}"
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S="${WORKDIR}/${MY_P}"
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lmp_emake() {
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local LAMMPS_INCLUDEFLAGS
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LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
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LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
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# The lammps makefile uses CC to indicate the C++ compiler.
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emake \
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ARCHIVE=$(tc-getAR) \
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CC=$(usex mpi "mpic++" "$(tc-getCXX)") \
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F90=$(usex mpi "mpif90" "$(tc-getFC)") \
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LINK=$(usex mpi "mpic++" "$(tc-getCXX)") \
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CCFLAGS="${CXXFLAGS}" \
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F90FLAGS="${FCFLAGS}" \
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LINKFLAGS="${LDFLAGS}" \
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LMP_INC="${LAMMPS_INCLUDEFLAGS}" \
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MPI_INC=$(usex mpi '' "-I../STUBS") \
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MPI_PATH=$(usex mpi '' '-L../STUBS') \
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MPI_LIB=$(usex mpi '' '-lmpi_stubs') \
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"$@"
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}
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src_prepare() {
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# Fix inconsistent use of SHFLAGS.
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sed -i -e 's:$(CCFLAGS):$(CCFLAGS) -fPIC:' src/STUBS/Makefile || die
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if use lammps-package-meam; then
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sed -i -e 's:$(F90FLAGS):$(F90FLAGS) -fPIC:' lib/meam/Makefile.gfortran || die
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fi
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if use lammps-package-reax; then
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sed -i -e 's:$(F90FLAGS):$(F90FLAGS) -fPIC:' lib/reax/Makefile.gfortran || die
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fi
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}
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src_compile() {
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# Compile stubs for serial version.
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use mpi || lmp_emake -C src stubs
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# Build optional packages.
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if use lammps-package-meam; then
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lmp_emake -C src yes-meam
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lmp_emake -j1 -C lib/meam -f Makefile.gfortran
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fi
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use lammps-package-dipole && emake -C src yes-dipole
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use lammps-package-rigid && emake -C src yes-rigid
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if use lammps-package-reax; then
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emake -C src yes-reax
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lmp_emake -j1 -C lib/reax -f Makefile.gfortran
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fi
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# Build static library.
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lmp_emake -C src makelib
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lmp_emake -C src -f Makefile.lib serial
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# Build shared library.
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lmp_emake -C src makeshlib
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lmp_emake -C src -f Makefile.shlib serial
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# Compile main executable.
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lmp_emake -C src serial
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}
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src_install() {
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newlib.a "src/liblammps_serial.a" "liblammps.a"
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newlib.so "src/liblammps_serial.so" "liblammps.so"
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newbin "src/lmp_serial" "lmp"
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local LAMMPS_POTENTIALS="/usr/share/${PF}/potentials"
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insinto "${LAMMPS_POTENTIALS}"
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doins potentials/*
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echo "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS}" > 99lammps
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doenvd 99lammps
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if use examples; then
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local LAMMPS_EXAMPLES="/usr/share/${PF}/examples"
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insinto "${LAMMPS_EXAMPLES}"
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doins -r examples/*
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fi
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dodoc README
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if use doc; then
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dodoc doc/Manual.pdf
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dohtml -r doc/*
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fi
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einfo "starting with this version, the optional package USE flags have"
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einfo "changed names. Simply prepend lammps- in front the old ones, i.e."
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einfo "the dipole package is built with the lammps-package-dipole USE"
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einfo "flag."
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}
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