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# Copyright 1999-2010 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/apbs/apbs-1.2.1b-r4.ebuild,v 1.7 2010/07/09 13:36:47 fauli Exp $
EAPI="3"
PYTHON_DEPEND="python? 2"
FORTRAN="g77 gfortran ifc"
inherit autotools eutils flag-o-matic fortran python versionator
MY_PV=$(get_version_component_range 1-3)
MY_P="${PN}-${MY_PV}"
DESCRIPTION="Software for evaluating the electrostatic properties of nanoscale biomolecular systems"
HOMEPAGE="http://apbs.sourceforge.net/"
SRC_URI="mirror://sourceforge/${PN}/${P}-source.tar.gz"
SLOT="0"
LICENSE="BSD"
IUSE="arpack doc mpi openmp python tinker tools"
KEYWORDS="amd64 ppc x86 ~amd64-linux ~x86-linux"
DEPEND="dev-libs/maloc[mpi=]
virtual/blas
sys-libs/readline
arpack? ( sci-libs/arpack )
mpi? ( virtual/mpi )"
RDEPEND="${DEPEND}"
S="${WORKDIR}"/"${MY_P}-source"
pkg_setup() {
use python && python_set_active_version 2
fortran_pkg_setup
}
src_prepare() {
epatch "${FILESDIR}"/${P}-openmp.patch \
"${FILESDIR}"/${P}-install-fix.patch \
"${FILESDIR}"/${PN}-1.2.0-contrib.patch \
"${FILESDIR}"/${PN}-1.2.0-link.patch \
"${FILESDIR}"/${P}-autoconf-2.64.patch \
"${FILESDIR}"/${P}-shared.patch \
"${FILESDIR}"/${P}-multilib.patch \
"${FILESDIR}"/${P}-parallelbuild.patch
sed "s:GENTOO_PKG_NAME:${PN}:g" \
-i Makefile.am || die "Cannot correct package name"
# this test is broken
sed '/ion-pmf/d' -i examples/Makefile.am || die
eautoreconf
find . -name "._*" -exec rm -f '{}' \;
}
src_configure() {
local myconf="--docdir=${EPREFIX}/usr/share/doc/${PF}"
use arpack && myconf="${myconf} --with-arpack=${EPREFIX}/usr/$(get_libdir)"
# check which mpi version is installed and tell configure
if use mpi; then
export CC="${EPREFIX}/usr/bin/mpicc"
export F77="${EPREFIX}/usr/bin/mpif77"
if has_version sys-cluster/mpich; then
myconf="${myconf} --with-mpich=${EPREFIX}/usr"
elif has_version sys-cluster/mpich2; then
myconf="${myconf} --with-mpich2=${EPREFIX}/usr"
elif has_version sys-cluster/openmpi; then
myconf="${myconf} --with-openmpi=${EPREFIX}/usr"
fi
fi || die "Failed to select proper mpi implementation"
# we need the tools target for python
if use python && ! use tools; then
myconf="${myconf} --enable-tools"
fi
econf \
--disable-maloc-rebuild \
--enable-shared \
--with-blas=-lblas \
$(use_enable openmp) \
$(use_enable python) \
$(use_enable tinker) \
$(use_enable tools) \
${myconf}
}
src_test() {
if use tinker; then
elog "tinker code make apbs to not reach the expected precission"
elog "https://sourceforge.net/tracker/?func=detail&aid=3019465&group_id=148472&atid=771704"
else
export LC_NUMERIC=C
cd examples && make test \
|| die "Tests failed"
grep -q 'FAILED' "${S}"/examples/TESTRESULTS.log && die "Tests failed"
fi
}
src_install() {
emake -j1 DESTDIR="${D}" install \
|| die "make install failed"
if use tools; then
mv tools/mesh/{,mesh-}analysis || die
dobin tools/mesh/* || die
if use arpack; then
dobin tools/arpack/* || die
fi
insinto /usr/share/${PN}
doins -r tools/conversion || die
doins -r tools/visualization/opendx || die
dobin tools/manip/{born,coulomb} || die
doins -r tools/matlab || die
fi
insinto $(python_get_sitedir)/${PN}
doins tools/manip/*.py || die
if use python && ! use mpi; then
insinto $(python_get_sitedir)/${PN}
doins tools/python/{*.py,*.pqr,*.so} || die
doins tools/python/*/{*.py,*.so} || die
fi
dodoc AUTHORS INSTALL README NEWS ChangeLog \
|| die "Failed to install docs"
if use doc; then
dohtml -r doc/* || die "Failed to install html docs"
fi
}
pkg_postinst() {
python_mod_optimize ${PN}
}
pkg_postrm() {
python_mod_cleanup ${PN}
}
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