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# Copyright 1999-2013 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/apbs/apbs-1.3-r3.ebuild,v 1.5 2013/05/02 15:16:35 jlec Exp $
EAPI=4
PYTHON_DEPEND="python? 2"
inherit autotools-utils eutils fortran-2 python toolchain-funcs versionator
MY_PV=$(get_version_component_range 1-3)
MY_P="${PN}-${MY_PV}"
DESCRIPTION="Evaluation of electrostatic properties of nanoscale biomolecular systems"
HOMEPAGE="http://www.poissonboltzmann.org/apbs/"
SRC_URI="mirror://sourceforge/${PN}/${P}-source.tar.gz"
SLOT="0"
LICENSE="BSD"
KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux"
IUSE="arpack doc examples fetk mpi openmp python static-libs tools"
REQUIRED_USE="mpi? ( !python )"
RDEPEND="
dev-libs/maloc[mpi=]
virtual/blas
sys-libs/readline
arpack? ( sci-libs/arpack )
fetk? (
sci-libs/fetk
sci-libs/amd
sci-libs/umfpack
sci-libs/superlu )
mpi? ( virtual/mpi )"
DEPEND="${DEPEND}
virtual/pkgconfig"
S="${WORKDIR}"/"${MY_P}-source"
AUTOTOOLS_IN_SOURCE_BUILD=1
MAKEOPTS+=" -j1"
pkg_setup() {
fortran-2_pkg_setup
use python && python_set_active_version 2 && python_pkg_setup
if [[ -z ${MAXMEM} ]]; then
einfo "You can specify the max amount of RAM used"
einfo "by setting MAXMEM=\"your size in MB\""
else
einfo "Settings max memory usage to ${MAXMEM} MB"
fi
}
# git clone ssh://woodpecker/home/jlec/apbs.git
PATCHES=( "${FILESDIR}"/${P}/00{01..16}* )
src_prepare() {
rm -rf contrib/{blas,maloc,opal,zlib} || die
find -name "._*" -delete || die
EPATCH_OPTS="-p1" \
autotools-utils_src_prepare
sed \
-e "s:GENTOO_PKG_NAME:${PN}:g" \
-i Makefile.am || die "Cannot correct package name"
sed \
-e 's:libmaloc.a:libmaloc.so:g' \
-e 's:-lblas::g' \
-i configure.ac || die
sed -e 's:opal::g' -i contrib/Makefile.am || die
sed \
-e 's:noinst_PROGRAMS:bin_PROGRAMS:g' \
-i tools/*/Makefile.am || die
sed \
-e "s:AM_CONFIG_HEADER:AC_CONFIG_HEADERS:g" \
-e "s:AM_PROG_CC_STDC:AC_PROG_CC:g" \
-i configure.ac || die
AT_NOELIBTOOLIZE=yes eautoreconf
}
src_configure() {
local myeconfargs=( --docdir="${EPREFIX}/usr/share/doc/${PF}" )
use arpack && myeconfargs+=( --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
myeconfargs+=( --with-mpich="${EPREFIX}/usr" )
elif has_version sys-cluster/mpich2; then
myeconfargs+=( --with-mpich2="${EPREFIX}/usr" )
elif has_version sys-cluster/openmpi; then
myeconfargs+=( --with-openmpi="${EPREFIX}/usr" )
fi
fi || die "Failed to select proper mpi implementation"
if use fetk; then
myeconfargs+=( --with-fetk-include="${EPREFIX}/usr/include" --with-fetk-library="${EPREFIX}/usr/$(get_libdir)" )
else
myeconfargs+=( --disable-fetk )
fi
[[ -n ${MAXMEM} ]] && myeconfargs+=( --with-maxmem=${MAXMEM} )
if use python; then
myeconfargs+=( --enable-tools )
else
myeconfargs+=( $(use_enable tools) )
fi
myeconfargs+=(
--disable-maloc-rebuild
--enable-shared
$(use_enable openmp)
$(use_enable python)
)
autotools-utils_src_configure
}
src_test() {
export LC_NUMERIC=C
cd examples && make test \
|| die "Tests failed"
grep -q 'FAILED' "${S}"/examples/TESTRESULTS.log && die "Tests failed"
}
src_install() {
autotools-utils_src_install
use doc && dohtml -r doc/*
use examples && insinto /usr/share/${PN} && doins -r examples
use tools && emake DESTDIR="${D}" install-tools
if use python && ! use mpi; then
insinto $(python_get_sitedir)/${PN}
doins tools/manip/*.py
doins tools/python/{*.py,*.pqr}
doins tools/python/*/{*.py,*.so}
python_clean_installation_image
fi
if use python || use tools; then
mv "${ED}"/usr/bin/analysis{,_apbs} || die
mv "${ED}"/usr/bin/smooth{,_apbs} || die
fi
}
pkg_postinst() {
use python && python_mod_optimize ${PN}
if use python || use tools; then
echo
elog "Following apps have been renamed"
elog "${EPREFIX}/usr/bin/analysis -> ${EPREFIX}/usr/bin/analysis_apbs"
elog "${EPREFIX}/usr/bin/smooth -> ${EPREFIX}/usr/bin/smooth_apbs"
echo
fi
}
pkg_postrm() {
use python && python_mod_cleanup ${PN}
}
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