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# Copyright 1999-2011 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
EAPI=2
PYTHON_DEPEND="2"
SUPPORT_PYTHON_ABIS="1"
RESTRICT_PYTHON_ABIS="3.*"
inherit eutils fortran-2 python 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"
KEYWORDS="~amd64 ~x86"
LICENSE="GPL-2"
IUSE="doc mpi test"
RDEPEND="
virtual/fortran
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
tc-export FC
emake ${target} || die
}
src_test() {
emake examples || die
cd EXAMPLES
bash smmp.cmd || die
}
src_install() {
dobin ${PN} || die
installation() {
insinto $(python_get_sitedir)/${PN}
doins *.py || die
}
python_execute_function installation
dodoc README || die
}
pkg_postinst() {
python_mod_optimize ${PN}
}
pkg_postrm() {
python_mod_cleanup ${PN}
}
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