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# Copyright 1999-2012 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
EAPI="4"
inherit eutils fortran-2 multilib toolchain-funcs
DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW) code with advanced features."
HOMEPAGE="http://elk.sourceforge.net/"
SRC_URI="mirror://sourceforge/${PN}/${P}.tgz"
LICENSE="GPL-3"
SLOT="0"
KEYWORDS="~amd64 ~x86"
IUSE="-debug lapack libxc mpi openmp perl test"
RDEPEND="lapack? ( virtual/blas
virtual/lapack )
libxc? ( =sci-libs/libxc-1*[fortran] )
mpi? ( virtual/mpi )"
DEPEND="${RDEPEND}
perl? ( dev-lang/perl )
dev-util/pkgconfig"
DOCS=( README )
FORTRAN_STANDARD=90
pkg_setup() {
# fortran-2.eclass does not handle mpi wrappers
if use mpi; then
export FC="mpif90"
export F77="mpif77"
export CC="mpicc"
export CXX="mpic++"
else
tc-export FC F77 CC CXX
fi
if use openmp; then
FORTRAN_NEED_OPENMP=1
fi
fortran-2_pkg_setup
if use openmp; then
export FC="${FC} -fopenmp"
export F77="${F77} -fopenmp"
export CC="${CC} -fopenmp"
export CXX="${CXX} -fopenmp"
fi
}
src_prepare() {
if use libxc; then
sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile"
fi
if use mpi; then
sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile"
fi
}
src_configure() {
FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O3 -funroll-loops -ffast-math}}"
FCFLAGS="${FCFLAGS} -I/usr/include -I/usr/$(get_libdir)/finclude"
CFLAGS="${CFLAGS:- -O3 -funroll-loops -ffast-math}"
CXXFLAGS="${CXXFLAGS:- ${CFLAGS}}"
export FCFLAGS CFLAGS CXXFLAGS
echo "MAKE = make" > make.inc
echo "F90 = $FC" >> make.inc
echo "F90_OPTS = $FCFLAGS" >> make.inc
echo "F77 = $FC" >> make.inc
echo "F77_OPTS = $FCFLAGS" >> make.inc
echo "CC = ${CC}" >> make.inc
echo "CXX = ${CXX}" >> make.inc
echo "CFLAGS = ${CFLAGS}" >> make.inc
echo "CXXFLAGS = ${CXXFLAGS}" >> make.inc
echo "LD = $(tc-getLD)" >> make.inc
echo "AR = ar" >> make.inc
echo "LIB_SYS = " >> make.inc
if use lapack; then
echo "LIB_LPK = $(pkg-config --libs lapack)" >> make.inc
else
echo "LIB_LPK = lapack.a blas.a" >> make.inc
fi
echo "LIB_FFT = fftlib.a" >> make.inc
if use libxc; then
echo "LIB_XC = -L/usr/$(get_libdir) -lxc" >> make.inc
echo "SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90" >>make.inc
fi
}
src_compile() {
emake -j1 || die "make failed"
}
src_test() {
emake test
}
src_install() {
dobin src/elk src/protex src/eos/eos src/spacegroup/spacegroup
dobin utilities/elk-bands
use perl && dobin utilities/xps_exc.pl utilities/se.pl
dodoc README
for doc in docs/*; do
dodoc $doc
done
insinto /usr/share/${P}
doins -r species
doins -r utilities
doins -r examples
doins -r tests
}
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