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commit: eb9b02cb123bd4e5e20bf9d0e3a783968e325a06 |
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Author: Horea Christian <chr <AT> chymera <DOT> eu> |
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AuthorDate: Mon Feb 1 02:57:12 2021 +0000 |
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Commit: Horea Christian <horea.christ <AT> gmail <DOT> com> |
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CommitDate: Mon Feb 1 02:57:12 2021 +0000 |
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URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=eb9b02cb |
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|
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sci-physics/elk: dropped broken package with deprecated versions |
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|
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Signed-off-by: Horea Christian <chr <AT> chymera.eu> |
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|
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sci-physics/elk/elk-1.4.22.ebuild | 110 ------------------------------ |
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sci-physics/elk/elk-2.1.25.ebuild | 136 -------------------------------------- |
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sci-physics/elk/metadata.xml | 25 ------- |
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3 files changed, 271 deletions(-) |
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|
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diff --git a/sci-physics/elk/elk-1.4.22.ebuild b/sci-physics/elk/elk-1.4.22.ebuild |
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deleted file mode 100644 |
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index daa3d4f53..000000000 |
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--- a/sci-physics/elk/elk-1.4.22.ebuild |
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+++ /dev/null |
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@@ -1,110 +0,0 @@ |
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-# Copyright 1999-2021 Gentoo Authors |
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-# Distributed under the terms of the GNU General Public License v2 |
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- |
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-EAPI=5 |
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- |
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-inherit eutils flag-o-matic fortran-2 multilib toolchain-funcs |
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- |
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-DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW)" |
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-HOMEPAGE="http://elk.sourceforge.net/" |
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-SRC_URI="mirror://sourceforge/${PN}/${P}.tgz" |
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- |
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-LICENSE="GPL-3" |
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-SLOT="0" |
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-KEYWORDS="~amd64 ~x86" |
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- |
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-IUSE="-debug lapack libxc mpi openmp perl test" |
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-RESTRICT="!test? ( test )" |
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- |
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-RDEPEND=" |
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- lapack? ( |
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- virtual/blas |
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- virtual/lapack ) |
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- libxc? ( >=sci-libs/libxc-1.2.0-r1[fortran] ) |
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- mpi? ( virtual/mpi )" |
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-DEPEND="${RDEPEND} |
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- perl? ( dev-lang/perl ) |
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- virtual/pkgconfig" |
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- |
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-DOCS=( README ) |
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- |
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-FORTRAN_STANDARD=90 |
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- |
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-pkg_setup() { |
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- # fortran-2.eclass does not handle mpi wrappers |
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- if use mpi; then |
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- export FC="mpif90" |
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- export F77="mpif77" |
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- export CC="mpicc" |
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- export CXX="mpic++" |
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- else |
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- tc-export FC F77 CC CXX |
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- fi |
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- |
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- use openmp && FORTRAN_NEED_OPENMP=1 |
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- |
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- fortran-2_pkg_setup |
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- |
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- use openmp && append-flags -fopenmp |
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-} |
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- |
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-src_prepare() { |
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- rm -rf src/{BLAS,LAPACK} || die |
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- if use libxc; then |
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- sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile" || die |
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- fi |
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- if use mpi; then |
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- sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile" || die |
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- fi |
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- |
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- sed \ |
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- -e "s: -o : ${LDFLAGS} -o :g" \ |
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- -i src/{,eos,spacegroup}/Makefile || die |
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-} |
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- |
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-src_configure() { |
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- append-fflags -I/usr/include -I/usr/$(get_libdir)/finclude |
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- |
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- cat > make.inc <<- EOF |
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- MAKE = make |
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- F90 = $(tc-getFC) |
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- F90_OPTS = ${FCFLAGS} |
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- F77 = $(tc-getF77) |
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- F77_OPTS = ${FFLAGS} |
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- CC = $(tc-getCC) |
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- CXX = $(tc-getCXX) |
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- CFLAGS = ${CFLAGS} |
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- CXXFLAGS = ${CXXFLAGS} |
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- LD = $(tc-getLD) |
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- AR = $(tc-getAR) |
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- LIB_SYS = |
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- LIB_LPK = $($(tc-getPKG_CONFIG) --libs lapack) |
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- LIB_FFT = fftlib.a |
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- EOF |
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- |
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- if use libxc; then |
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- echo "LIB_XC = -L/usr/$(get_libdir) -lxc" >> make.inc |
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- echo "SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90" >>make.inc |
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- fi |
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-} |
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- |
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-MAKEOPTS+=" -j1" |
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- |
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-src_compile() { |
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- emake -C src fft |
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- emake -C src elk |
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- emake -C src/eos |
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- emake -C src/spacegroup |
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-} |
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- |
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-src_install() { |
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- dobin src/elk src/protex src/eos/eos src/spacegroup/spacegroup |
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- dobin utilities/elk-bands |
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- use perl && dobin utilities/xps_exc.pl utilities/se.pl |
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- dodoc README |
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- for doc in docs/*; do |
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- dodoc $doc |
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- done |
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- insinto /usr/share/${P} |
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- doins -r species utilities examples tests |
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-} |
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|
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diff --git a/sci-physics/elk/elk-2.1.25.ebuild b/sci-physics/elk/elk-2.1.25.ebuild |
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deleted file mode 100644 |
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index cef46a976..000000000 |
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--- a/sci-physics/elk/elk-2.1.25.ebuild |
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+++ /dev/null |
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@@ -1,136 +0,0 @@ |
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-# Copyright 1999-2021 Gentoo Authors |
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-# Distributed under the terms of the GNU General Public License v2 |
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- |
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-EAPI=5 |
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- |
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-PYTHON_COMPAT=( python2_7 ) |
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- |
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-inherit eutils flag-o-matic fortran-2 multilib toolchain-funcs python-single-r1 |
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- |
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-DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW)" |
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-HOMEPAGE="http://elk.sourceforge.net/" |
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-SRC_URI="mirror://sourceforge/${PN}/${P}.tgz" |
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- |
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-LICENSE="GPL-3" |
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-SLOT="0" |
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-KEYWORDS="~amd64 ~x86" |
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- |
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-IUSE="-debug lapack libxc mpi openmp perl python test" |
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-RESTRICT="!test? ( test )" |
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- |
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-REQUIRED_USE="${PYTHON_REQUIRED_USE}" |
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- |
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-RDEPEND=" |
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- lapack? ( |
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- virtual/blas |
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- virtual/lapack ) |
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- libxc? ( >=sci-libs/libxc-1.2.0-r1[fortran] ) |
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- perl? ( dev-lang/perl ) |
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- python? ( ${PYTHON_DEPS} ) |
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- mpi? ( virtual/mpi )" |
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-DEPEND="${RDEPEND} |
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- virtual/pkgconfig" |
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- |
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-DOCS=( README ) |
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- |
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-FORTRAN_STANDARD=90 |
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- |
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-pkg_setup() { |
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- # fortran-2.eclass does not handle mpi wrappers |
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- if use mpi; then |
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- export FC="mpif90" |
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- export F77="mpif77" |
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- export CC="mpicc" |
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- export CXX="mpic++" |
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- else |
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- tc-export FC F77 CC CXX |
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- fi |
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- |
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- use openmp && FORTRAN_NEED_OPENMP=1 |
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- |
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- fortran-2_pkg_setup |
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- |
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- if use openmp; then |
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- # based on _fortran-has-openmp() of fortran-2.eclass |
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- local openmp="" |
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- local fcode=ebuild-openmp-flags.f |
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- local _fc=$(tc-getFC) |
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- |
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- pushd "${T}" |
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- cat <<- EOF > "${fcode}" |
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- 1 call omp_get_num_threads |
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- 2 end |
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- EOF |
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- |
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- for openmp in -fopenmp -xopenmp -openmp -mp -omp -qsmp=omp; do |
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- "${_fc}" "${openmp}" "${fcode}" -o "${fcode}.x" && break |
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- done |
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- |
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- rm -f "${fcode}.*" |
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- popd |
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- |
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- append-flags "${openmp}" |
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- fi |
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-} |
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- |
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-src_prepare() { |
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- rm -rf src/{BLAS,LAPACK} || die |
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- if use libxc; then |
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- sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile" || die |
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- fi |
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- if use mpi; then |
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- sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile" || die |
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- fi |
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- |
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- sed \ |
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- -e "s: -o : ${LDFLAGS} -o :g" \ |
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- -i src/{,eos,spacegroup}/Makefile || die |
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-} |
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- |
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-src_configure() { |
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- append-fflags -I/usr/include |
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- |
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- cat > make.inc <<- EOF |
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- MAKE = make |
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- F90 = $(tc-getFC) |
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- F90_OPTS = ${FCFLAGS} |
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- F77 = $(tc-getF77) |
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- F77_OPTS = ${FFLAGS} |
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- CC = $(tc-getCC) |
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- CXX = $(tc-getCXX) |
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- CFLAGS = ${CFLAGS} |
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- CXXFLAGS = ${CXXFLAGS} |
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- LD = $(tc-getLD) |
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- AR = $(tc-getAR) |
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- LIB_SYS = |
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- LIB_LPK = $($(tc-getPKG_CONFIG) --libs lapack) |
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- LIB_FFT = fftlib.a |
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- EOF |
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- |
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- if use libxc; then |
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- echo "LIB_XC = -L/usr/$(get_libdir) -lxc" >> make.inc |
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- echo "SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90" >>make.inc |
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- fi |
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-} |
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- |
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-MAKEOPTS+=" -j1" |
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- |
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-src_compile() { |
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- emake -C src fft |
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- emake -C src elk |
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- emake -C src/eos |
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- emake -C src/spacegroup |
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-} |
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- |
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-src_install() { |
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- dobin src/elk src/protex src/eos/eos src/spacegroup/spacegroup |
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- dobin utilities/elk-bands/elk-bands |
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- use perl && dobin utilities/xps/xps_exc.pl utilities/wien2k-elk/se.pl |
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- use python && dobin utilities/blocks2columns/blocks2columns.py |
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- dodoc README |
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- for doc in docs/*; do |
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- dodoc $doc |
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- done |
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- insinto /usr/share/${P} |
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- doins -r species utilities examples tests |
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-} |
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|
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diff --git a/sci-physics/elk/metadata.xml b/sci-physics/elk/metadata.xml |
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deleted file mode 100644 |
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index d00045595..000000000 |
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--- a/sci-physics/elk/metadata.xml |
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+++ /dev/null |
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@@ -1,25 +0,0 @@ |
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-<?xml version="1.0" encoding="UTF-8"?> |
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-<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> |
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-<pkgmetadata> |
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- <maintainer type="project"> |
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- <email>sci-physics@g.o</email> |
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- <name>Gentoo Physics Project</name> |
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- </maintainer> |
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- <longdescription lang="en"> |
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-Elk is an all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features. Written originally at Karl-Franzens-Universität Graz as a milestone of the EXCITING EU Research and Training Network, the code is designed to be as simple as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably. The code is freely available under the GNU General Public License. |
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-</longdescription> |
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- <use> |
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- <flag name="libxc"> |
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-Use sci-libs/libxc library of exchange-correlation functionals by ETSF. |
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-</flag> |
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- <flag name="perl"> |
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-Install perl scripts. |
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-</flag> |
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- <flag name="python"> |
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-Install python scripts. |
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-</flag> |
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- </use> |
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- <upstream> |
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- <remote-id type="sourceforge">elk</remote-id> |
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- </upstream> |
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-</pkgmetadata> |