aboutsummaryrefslogtreecommitdiff
diff options
context:
space:
mode:
Diffstat (limited to 'sci-physics/elk/elk-2.1.25.ebuild')
-rw-r--r--sci-physics/elk/elk-2.1.25.ebuild136
1 files changed, 0 insertions, 136 deletions
diff --git a/sci-physics/elk/elk-2.1.25.ebuild b/sci-physics/elk/elk-2.1.25.ebuild
deleted file mode 100644
index cef46a976..000000000
--- a/sci-physics/elk/elk-2.1.25.ebuild
+++ /dev/null
@@ -1,136 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib toolchain-funcs python-single-r1
-
-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 python test"
-RESTRICT="!test? ( test )"
-
-REQUIRED_USE="${PYTHON_REQUIRED_USE}"
-
-RDEPEND="
- lapack? (
- virtual/blas
- virtual/lapack )
- libxc? ( >=sci-libs/libxc-1.2.0-r1[fortran] )
- perl? ( dev-lang/perl )
- python? ( ${PYTHON_DEPS} )
- mpi? ( virtual/mpi )"
-DEPEND="${RDEPEND}
- 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
-
- if use openmp; then
- # based on _fortran-has-openmp() of fortran-2.eclass
- local openmp=""
- local fcode=ebuild-openmp-flags.f
- local _fc=$(tc-getFC)
-
- pushd "${T}"
- cat <<- EOF > "${fcode}"
- 1 call omp_get_num_threads
- 2 end
- EOF
-
- for openmp in -fopenmp -xopenmp -openmp -mp -omp -qsmp=omp; do
- "${_fc}" "${openmp}" "${fcode}" -o "${fcode}.x" && break
- done
-
- rm -f "${fcode}.*"
- popd
-
- append-flags "${openmp}"
- fi
-}
-
-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
-
- 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/elk-bands
- use perl && dobin utilities/xps/xps_exc.pl utilities/wien2k-elk/se.pl
- use python && dobin utilities/blocks2columns/blocks2columns.py
- dodoc README
- for doc in docs/*; do
- dodoc $doc
- done
- insinto /usr/share/${P}
- doins -r species utilities examples tests
-}