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From: "Andrew Ammerlaan" <andrewammerlaan@gentoo.org>
To: gentoo-commits@lists.gentoo.org
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Message-ID: <1643039559.e8f559a24eb6e60e1ffa71bebd3e318a19d911cb.andrewammerlaan@gentoo>
Subject: [gentoo-commits] proj/sci:master commit in: sci-physics/openmx/
X-VCS-Repository: proj/sci
X-VCS-Files: sci-physics/openmx/openmx-3.9.ebuild sci-physics/openmx/openmx-3.9_p20211017.ebuild
X-VCS-Directories: sci-physics/openmx/
X-VCS-Committer: andrewammerlaan
X-VCS-Committer-Name: Andrew Ammerlaan
X-VCS-Revision: e8f559a24eb6e60e1ffa71bebd3e318a19d911cb
X-VCS-Branch: master
Date: Mon, 24 Jan 2022 16:06:45 +0000 (UTC)
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commit: e8f559a24eb6e60e1ffa71bebd3e318a19d911cb
Author: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
AuthorDate: Mon Jan 24 15:52:39 2022 +0000
Commit: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
CommitDate: Mon Jan 24 15:52:39 2022 +0000
URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=e8f559a2
sci-physics/openmx: bump to patch release
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Andrew Ammerlaan <andrewammerlaan <AT> gentoo.org>
...enmx-3.9.ebuild => openmx-3.9_p20211017.ebuild} | 44 ++++++++++++++++------
1 file changed, 33 insertions(+), 11 deletions(-)
diff --git a/sci-physics/openmx/openmx-3.9.ebuild b/sci-physics/openmx/openmx-3.9_p20211017.ebuild
similarity index 75%
rename from sci-physics/openmx/openmx-3.9.ebuild
rename to sci-physics/openmx/openmx-3.9_p20211017.ebuild
index e58af9665..2d1e50397 100644
--- a/sci-physics/openmx/openmx-3.9.ebuild
+++ b/sci-physics/openmx/openmx-3.9_p20211017.ebuild
@@ -1,17 +1,21 @@
-# Copyright 1999-2021 Gentoo Authors
+# Copyright 1999-2022 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
-EAPI=7
+EAPI=8
inherit toolchain-funcs flag-o-matic fortran-2
DESCRIPTION="Material eXplorer"
HOMEPAGE="http://www.openmx-square.org/" # no https, SSL invalid
-SRC_URI="http://t-ozaki.issp.u-tokyo.ac.jp/${PN}${PV}.tar.gz"
+SRC_URI="
+ http://t-ozaki.issp.u-tokyo.ac.jp/${PN}${PV//_*}.tar.gz
+ http://www.openmx-square.org/bugfixed/21Oct17/patch${PV//_*}.9.tar.gz
+"
+S="${WORKDIR}/${PN}${PV//_*}/source"
LICENSE="GPL-3"
SLOT="0"
-KEYWORDS=""
+KEYWORDS="~amd64"
IUSE="debug openmp test"
RESTRICT="!test? ( test )"
@@ -20,12 +24,12 @@ RDEPEND="
virtual/blas
virtual/lapack
virtual/mpi
+ sci-libs/scalapack
+ sys-cluster/openmpi
sci-libs/fftw:3.0[mpi,openmp?]"
DEPEND="${RDEPEND}"
BDEPEND="virtual/pkgconfig"
-S="${WORKDIR}/${PN}${PV}/source"
-
FORTRAN_STANDARD=90
pkg_setup() {
@@ -65,7 +69,7 @@ pkg_setup() {
(( ${ret} )) || break
done
- rm -f "${code}.*"
+ rm "${code}."* || die
popd
if (( ${ret} )); then
@@ -86,7 +90,7 @@ pkg_setup() {
(( ${ret} )) || break
done
- rm -f "${code}.*"
+ rm "${code}."* || die
popd
if (( ${ret} )); then
@@ -98,18 +102,34 @@ pkg_setup() {
}
+src_unpack() {
+ unpack "${PN}${PV//_*}.tar.gz"
+ # copy patched files to source
+ cd "${S}" || die
+ unpack "patch${PV//_*}.9.tar.gz"
+}
+
src_configure() {
local FFTW_FLAVOUR=fftw3
if use openmp; then
FFTW_FLAVOUR=fftw3_omp
+ append-cflag -fopenmp
else
append-cflag -Dnoomp
fi
+ append-cflag -Dkcomp
+ append-cflag -ffast-math
append-cflags $($(tc-getPKG_CONFIG) --cflags lapack)
+ append-cflags $($(tc-getPKG_CONFIG) --cflags scalapack)
+ append-cflags $($(tc-getPKG_CONFIG) --cflags openmpi)
append-cflags $($(tc-getPKG_CONFIG) --cflags ${FFTW_FLAVOUR})
append-fflags -I/usr/include
+ append-fflags -Dkcomp
+ append-fflags -ffast-math
append-fflags $($(tc-getPKG_CONFIG) --cflags lapack)
+ append-fflags $($(tc-getPKG_CONFIG) --cflags scalapack)
+ append-fflags $($(tc-getPKG_CONFIG) --cflags openmpi)
append-fflags $($(tc-getPKG_CONFIG) --cflags ${FFTW_FLAVOUR})
# otherwise we get Error: Rank mismatch between actual argument
@@ -117,6 +137,8 @@ src_configure() {
append-fflags -fallow-argument-mismatch
local MX_LIB="$($(tc-getPKG_CONFIG) --static --libs lapack)"
+ MX_LIB="${MX_LIB} $($(tc-getPKG_CONFIG) --static --libs scalapack)"
+ MX_LIB="${MX_LIB} $($(tc-getPKG_CONFIG) --static --libs openmpi)"
MX_LIB="${MX_LIB} $($(tc-getPKG_CONFIG) --static --libs ${FFTW_FLAVOUR})"
MX_LIB="${MX_LIB} $(mpif90 -showme:link)"
@@ -135,17 +157,17 @@ src_compile() {
}
src_test() {
- cd ../work
+ cd ../work || die
../source/openmx -runtest || die
}
src_install() {
insinto /usr/share/${P}
doins -r DFT_DATA19
- cd ../work
+ cd ../work || die
insinto /usr/share/${P}/examples
doins -r *
- cd ../source
+ cd ../source || die
emake DESTDIR="${D}/usr/bin" install
dodoc "${S}/${PN}${PV%.?}.pdf"
use test && dodoc "${S}"/work/runtest.result