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# Copyright 1999-2011 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
EAPI=3
inherit eutils fortran-2 toolchain-funcs
DESCRIPTION="A DFT electronic structure code using a wavelet basis set"
HOMEPAGE="http://inac.cea.fr/L_Sim/BigDFT/"
SRC_URI="
http://inac.cea.fr/L_Sim/BigDFT/${P}.tar.gz
http://inac.cea.fr/L_Sim/BigDFT/${PN}-1.3.2.tar.gz"
LICENSE="GPL-3"
SLOT="0"
KEYWORDS="~amd64 ~x86"
IUSE="cuda doc mpi test"
RDEPEND="
=sci-libs/libxc-1.0[fortran]
virtual/blas
virtual/fortran
virtual/lapack
mpi? ( virtual/mpi )
cuda? ( dev-util/nvidia-cuda-sdk )"
DEPEND="${RDEPEND}
dev-util/pkgconfig
>=sys-devel/autoconf-2.59
doc? ( virtual/latex-base )"
src_prepare() {
epatch \
"${FILESDIR}"/${P}-0001.patch \
"${FILESDIR}"/${P}-0002.patch \
"${FILESDIR}"/${P}-0003.patch \
"${FILESDIR}"/${P}-0004.patch \
"${FILESDIR}"/${P}-testH.patch
rm -r src/PSolver/ABINIT-common
mv ../${PN}-1.3.2/src/PSolver/ABINIT-common src/PSolver/
sed -i -e's%@LIBXC_INCLUDE@%-I/usr/lib/finclude%g' \
src/PSolver/ABINIT-common/Makefile.*
sed -i -e's%config\.inc%config.h%g' \
src/PSolver/ABINIT-common/*.F90
}
src_configure() {
if use mpi; then
MY_FC="mpif90"
MY_CC="mpicc"
fi
tc-export FC CC
econf \
$(use_enable mpi) \
--enable-libpoissonsolver \
--enable-libbigdft \
--enable-binaries \
--with-moduledir=/usr/$(get_libdir)/finclude \
--with-ext-linalg="`pkg-config --libs-only-l lapack`" \
--with-ext-linalg-path="`pkg-config --libs-only-L lapack`" \
--with-xc-module-path="/usr/lib/finclude" \
$(use_enable cuda cuda-gpu) \
$(use_with cuda cuda-path /opt/cuda) \
$(use_with cuda lib-cutils /opt/cuda/lib) \
FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" \
LD="$(tc-getLD)"
}
src_compile() {
emake -j1 HAVE_LIBXC=1 || die "make failed"
if use doc; then
emake HAVE_LIBXC=1 doc || die "make doc failed"
fi
}
src_test() {
if use test; then
emake check
fi
}
src_install() {
emake HAVE_LIBXC=1 DESTDIR="${D}" install || die "install failed"
dodoc README INSTALL ChangeLog AUTHORS NEWS || die "dodoc failed"
}
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