lammps-2009.01.09.ebuild

lammps-2009.01.09.ebuild (text/plain), 1.54 KB, created by Andrey Kislyuk (RETIRED) on 2009-02-02 16:22:42 UTC

# Copyright 1999-2008 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-biology/gmap/gmap-2007.09.28.ebuild,v 1.2 2008/05/26 14:34:52 weaver Exp $

# TODO: meam support, mpi flag, poems flag, fftw flag, icc support, fftw-3, gcc4.3, check makefiles for other options, user packages, all tools, examples use flag

EAPI=2

inherit eutils

DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator"
HOMEPAGE="http://lammps.sandia.gov/download.html"
SRC_URI="http://lammps.sandia.gov/tars/lammps.tar.gz"

LICENSE="GPL-2"
SLOT="0"
IUSE="doc"
KEYWORDS="~amd64 ~x86"

DEPEND="app-shells/tcsh
	sys-devel/gcc[fortran]
	sys-cluster/mpich2[cxx]
	sci-libs/fftw:2.1"
RDEPEND="${DEPEND}"

S="${WORKDIR}/${PN}-9Jan09"

src_unpack() {
	unpack ${A}
	epatch ${FILESDIR}/${P}-*.patch || die
}

src_configure() {
	mv lib/meam/Makefile.gfortran lib/meam/Makefile
	emake -C src yes-standard || die
	emake -C src no-meam || die
}

src_compile() {
#	emake -C lib/meam F90=mpif90 || die
#	emake -C lib/meam || die
	emake -C lib/poems CC=mpicxx LINK=mpicxx || die
#	emake -C src serial || die
	emake -C src CC=mpicxx LINK=mpicxx g++_poems || die
	emake -C tools binary2txt restart2data data2xmovie thermo_extract
}

src_install() {
	BUILDTYPE="g++_poems"
	newbin src/lmp_${BUILDTYPE} lmp || die
	dobin tools/{binary2txt,restart2data,data2xmovie,thermo_extract} || die
	insinto /usr/share/${PN}
	doins -r bench examples potentials || die
	if use doc; then
		insinto /usr/share/doc/${P}
		doins -r doc || die
	fi
}