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# Copyright 1999-2010 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
EAPI="2"
inherit autotools bash-completion mercurial
DESCRIPTION="Votca coarse-graining engine"
HOMEPAGE="http://www.votca.org"
SRC_URI=""
LICENSE="Apache-2.0"
SLOT="0"
KEYWORDS="~x86 ~amd64"
IUSE=""
DEPEND="sci-libs/fftw:3.0
dev-libs/libxml2
sci-libs/gsl
>=dev-libs/boost-1.33.1
sci-libs/votca-tools
!<=sci-chemistry/gromacs-4.0.5[mpi]
=sci-chemistry/gromacs-4.0*
dev-lang/perl
app-shells/bash"
RDEPEND="${DEPEND}"
EHG_REPO_URI="https://csg.votca.googlecode.com/hg/"
S="${WORKDIR}/hg"
pkg_setup() {
export CPPFLAGS="${CPPFLAGS} -I/usr/include/gromacs"
}
src_prepare() {
local dir
for dir in share/scripts/inverse; do
emake -C "$dir" -f Makefile.am.in Makefile.am || \
die "make -f Makefile.am.in Makefile.am in $dir failed"
done
eautoreconf || die "eautoreconf failed"
}
src_configure() {
econf || die "econf failed"
}
src_compile() {
emake || die "emake failed"
}
src_install() {
emake install DESTDIR="${D}" || die "emake install failed"
dodoc README NOTICE
sed -n -e '/^CSG\(BIN\|SHARE\)/p' "${D}"/usr/bin/CSGRC.bash > "${T}/80votca-csg"
doenvd "${T}/80votca-csg"
rm -f "${D}"/usr/bin/CSGRC*
dobashcompletion "${D}"/usr/share/votca/completion.bash ${PN}
rm -f "${D}"/usr/share/votca/completion.bash
}
pkg_postinst() {
env-update && source /etc/profile
elog
elog "Please read and cite:"
elog "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
elog "http://dx.doi.org/10.1021/ct900369w"
elog
}
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