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106 lines
2.2 KiB
106 lines
2.2 KiB
# Copyright 1999-2013 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-20130526.ebuild,v 1.1 2013/06/26 23:53:11 ottxor Exp $
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EAPI=5
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FORTRAN_NEEDED="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}-$((${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/${MY_P}.tar.gz"
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LICENSE="GPL-2"
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SLOT="0"
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KEYWORDS="~amd64"
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IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid"
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DEPEND="mpi? ( virtual/mpi )"
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RDEPEND="${DEPEND}"
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S="${WORKDIR}/${MY_P}"
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lmp_emake() {
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local LAMMPS_INCLUDEFLAGS="$(usex gzip '-DLAMMPS_GZIP' '')"
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LAMMPS_INCLUDEFLAGS+="$(usex lammps-memalign ' -DLAMMPS_MEMALIGN' '')"
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# Note: 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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"$@"
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}
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src_compile() {
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# Compile stubs for serial version.
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use mpi || lmp_emake -C src stubs
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# Build optional packages.
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if use package-meam; then
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lmp_emake -C src yes-meam
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lmp_emake -j1 -C lib/meam -f Makefile.gfortran
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fi
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use package-dipole && emake -C src yes-dipole
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use package-rigid && emake -C src yes-rigid
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# Compile.
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lmp_emake -C src serial
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}
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src_install() {
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newbin "src/lmp_serial" "lmp"
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if use examples; then
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insinto "/usr/share/doc/${PF}"
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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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