186 lines
4.5 KiB
Bash
186 lines
4.5 KiB
Bash
# 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-20140320.ebuild,v 1.1 2014/03/31 12:27:14 nicolasbock Exp $
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EAPI=5
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inherit eutils fortran-2 multilib
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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/${MY_P}.tar.gz"
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LICENSE="GPL-2"
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SLOT="0"
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KEYWORDS="~amd64 ~x86"
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IUSE="doc examples gzip lammps-memalign mpi static-libs"
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DEPEND="
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mpi? ( virtual/mpi )
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sci-libs/voro++
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"
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RDEPEND="${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):$(CCFLAGS) -fPIC:' src/STUBS/Makefile || die
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sed -i -e 's:$(F90FLAGS):$(F90FLAGS) -fPIC:' lib/meam/Makefile.gfortran || die
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sed -i -e 's:$(F90FLAGS):$(F90FLAGS) -fPIC:' lib/reax/Makefile.gfortran || die
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sed -i \
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-e 's:voronoi_SYSINC\s\+=.*$:voronoi_SYSINC = -I/usr/include/voro++:' \
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-e 's:voronoi_SYSPATH\s\+=.*$:voronoi_SYSPATH =:' \
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src/VORONOI/Makefile.lammps || die
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# Fix missing .so name.
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sed -i \
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-e 's:SHLIBFLAGS\s\+=\s\+:SHLIBFLAGS = -Wl,-soname,liblammps.so.0 :' \
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src/MAKE/Makefile.serial || die
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# Fix makefile in tools.
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sed -i \
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-e 's:g++:$(CXX) $(CXXFLAGS):' \
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-e 's:gcc:$(CC) $(CCFLAGS):' \
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-e 's:ifort:$(FC) $(FCFLAGS):' \
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tools/Makefile || die
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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 packages
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emake -C src yes-asphere
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emake -C src yes-body
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emake -C src yes-class2
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emake -C src yes-colloid
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emake -C src yes-dipole
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emake -C src yes-fld
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#emake -C src yes-gpu
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emake -C src yes-granular
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# Need OpenKIM external dependency.
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#emake -C src yes-kim
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emake -C src yes-kspace
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emake -C src yes-manybody
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emake -C src yes-mc
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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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emake -C src yes-misc
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emake -C src yes-molecule
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#emake -C src yes-mpiio
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emake -C src yes-opt
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emake -C src yes-peri
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#emake -C src yes-poems
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#lmp_emake -j1 -C lib/poems -f Makefile.g++
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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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emake -C src yes-replica
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emake -C src yes-rigid
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emake -C src yes-shock
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emake -C src yes-srd
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emake -C src yes-voronoi
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emake -C src yes-xtc
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if use static-libs; then
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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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fi
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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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# Compile tools.
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emake -C tools binary2txt chain micelle2d data2xmovie
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}
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src_install() {
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use static-libs && newlib.a src/liblammps_serial.a liblammps.a
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newlib.so src/liblammps_serial.so liblammps.so.0.0.0
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dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so
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dosym liblammps.so.0.0.0 /usr/$(get_libdir)/liblammps.so.0
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newbin src/lmp_serial lmp
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dobin tools/binary2txt
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# Don't forget to add header files of optional packages as they are added
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# to this ebuild. There may also be .mod files from Fortran based
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# packages.
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insinto "/usr/include/${PN}"
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doins -r src/*.h lib/meam/*.mod
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local LAMMPS_POTENTIALS="usr/share/${PN}/potentials"
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insinto "/${LAMMPS_POTENTIALS}"
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doins potentials/*
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echo "LAMMPS_POTENTIALS=${EROOT}${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/${PN}/examples"
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insinto "${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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}
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