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# Copyright 1999-2014 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
EAPI=5
PYTHON_COMPAT=( python{2_6,2_7} )
inherit eutils fortran-2 python-r1 toolchain-funcs
MY_PN="SMMP"
MY_P="${MY_PN}-${PV}"
DESCRIPTION="Simple Molecular Mechanics for Proteins"
HOMEPAGE="http://smmp.berlios.de/"
SRC_URI="mirror://berlios/${PN}/${MY_P}.tar.bz2"
SLOT="0"
LICENSE="GPL-2"
KEYWORDS="~amd64 ~x86"
IUSE="doc mpi test"
REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RDEPEND="
${PYTHON_DEPS}
mpi? ( virtual/mpi )"
DEPEND="${RDEPEND}
doc? ( app-doc/doxygen )"
S="${WORKDIR}/${MY_P}"
src_prepare() {
epatch "${FILESDIR}"/${PV}-flags.patch
}
src_compile() {
if use mpi; then
FC="mpif90"
target="parallel"
else
target="${PN}"
fi
emake ${target}
}
src_test() {
emake examples
cd EXAMPLES || die
bash smmp.cmd || die
}
src_install() {
dobin ${PN}
python_moduleinto ${PN}
python_parallel_foreach_impl python_domodule *.py
python_parallel_foreach_impl python_optimize
dodoc README
}
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