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# Copyright 1999-2009 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
EAPI="2"
inherit autotools eutils fortran flag-o-matic python
MY_P="${P}-source"
FORTRAN="g77 gfortran ifc"
DESCRIPTION=" Software for evaluating the electrostatic properties of nanoscale biomolecular systems"
HOMEPAGE="http://apbs.sourceforge.net/"
SRC_URI="mirror://sourceforge/${PN}/${MY_P}.tar.gz"
SLOT="0"
KEYWORDS="~x86 ~amd64"
LICENSE="BSD"
IUSE="arpack blas doc fetk mpi openmp python tinker"
DEPEND="
dev-libs/maloc[mpi=]
dev-python/zsi
dev-python/opal-client
sys-libs/readline
arpack? ( sci-libs/arpack )
blas? ( virtual/blas )
fetk? ( dev-libs/punc )
mpi? ( virtual/mpi )
python? ( dev-lang/python )
tinker? ( sci-chemistry/tinker )"
RDEPEND="${DEPEND}"
S="${WORKDIR}"/"${MY_P}"
src_prepare() {
python_version
epatch \
"${FILESDIR}"/${P}-install-fix.patch \
"${FILESDIR}"/${P}-contrib.patch \
"${FILESDIR}"/${P}-LDFLAGS.patch \
"${FILESDIR}"/${P}-vgrid-maloc.patch
sed \
-e "s:GENTOO_PKG_NAME:${P}:g" \
-i Makefile.am || die "Cannot correct package name"
eautoreconf
find "${S}" -type f -name "*.py" \
-exec sed -e "s|/usr/bin/env python|${python}|g" -i '{}' \;
}
src_configure() {
local myconf="--docdir=/usr/share/doc/${PF}"
use arpack && myconf="${myconf} --with-arpack=/usr/$(get_libdir)"
use blas && myconf="${myconf} --with-blas=-lblas"
use fetk && myconf="${myconf} $(use_enable fetk) --with-fetk-include=/usr/include --with-fetk-library=/usr/$(get_libdir)"
# The configure is somehow borked, but does the same as the following lines
if use openmp; then
append-flags -fopenmp
else
myconf="${myconf} --disable-openmp"
fi
# check which mpi version is installed and tell configure
if use mpi; then
export CC="/usr/bin/mpicc"
export F77="/usr/bin/mpif77"
if has_version sys-cluster/mpich; then
myconf="${myconf} --with-mpich=/usr"
elif has_version sys-cluster/mpich2; then
myconf="${myconf} --with-mpich2=/usr"
elif has_version sys-cluster/lam-mpi; then
myconf="${myconf} --with-lam=/usr"
elif has_version sys-cluster/openmpi; then
myconf="${myconf} --with-openmpi=/usr"
fi
fi || die "Failed to select proper mpi implementation"
econf \
$(use_enable python) \
$(use_enable tinker) \
--disable-maloc-rebuild \
${myconf} || die "configure failed"
}
src_compile() {
emake -j1 || die "make failed"
}
src_test() {
cd examples && make test \
|| die "Tests failed"
}
src_install() {
emake -j1 DESTDIR="${D}" install || die "make install failed"
dodoc AUTHORS INSTALL README NEWS ChangeLog \
|| die "Failed to install docs"
use doc || rm -rf "${D}"/usr/share/${P}/doc
}
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