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# Copyright 1999-2014 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
EAPI=5
inherit eutils flag-o-matic fortran-2 multilib toolchain-funcs
DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW)"
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-1.2.0-r1[fortran] )
mpi? ( virtual/mpi )"
DEPEND="${RDEPEND}
perl? ( dev-lang/perl )
virtual/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
use openmp && FORTRAN_NEED_OPENMP=1
fortran-2_pkg_setup
use openmp && append-flags -fopenmp
}
src_prepare() {
rm -rf src/{BLAS,LAPACK} || die
if use libxc; then
sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile" || die
fi
if use mpi; then
sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile" || die
fi
sed \
-e "s: -o : ${LDFLAGS} -o :g" \
-i src/{,eos,spacegroup}/Makefile || die
}
src_configure() {
append-fflags -I/usr/include -I/usr/$(get_libdir)/finclude
cat > make.inc <<- EOF
MAKE = make
F90 = $(tc-getFC)
F90_OPTS = ${FCFLAGS}
F77 = $(tc-getF77)
F77_OPTS = ${FFLAGS}
CC = $(tc-getCC)
CXX = $(tc-getCXX)
CFLAGS = ${CFLAGS}
CXXFLAGS = ${CXXFLAGS}
LD = $(tc-getLD)
AR = $(tc-getAR)
LIB_SYS =
LIB_LPK = $($(tc-getPKG_CONFIG) --libs lapack)
LIB_FFT = fftlib.a
EOF
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
}
MAKEOPTS+=" -j1"
src_compile() {
emake -C src fft
emake -C src elk
emake -C src/eos
emake -C src/spacegroup
}
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 utilities examples tests
}
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