* [gentoo-commits] proj/sci:master commit in: sci-physics/openmx/
@ 2013-01-29 9:31 Kacper Kowalik
0 siblings, 0 replies; 11+ messages in thread
From: Kacper Kowalik @ 2013-01-29 9:31 UTC (permalink / raw
To: gentoo-commits
commit: 30cc6888b883c5161ff32f210c231b8f8ae4504b
Author: James Cloos <cloos <AT> jhcloos <DOT> com>
AuthorDate: Fri Jan 18 21:11:36 2013 +0000
Commit: Kacper Kowalik <xarthisius <AT> gentoo <DOT> org>
CommitDate: Sun Jan 20 02:10:59 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=30cc6888
sci-physics/openmx: Fix fftw dependency.
Openmx had asked for fftw slot 3, but fftw provides slot 3.0.
Signed-off-by: James Cloos <cloos <AT> jhcloos.com>
---
sci-physics/openmx/openmx-3.6.ebuild | 19 ++++++++++---------
1 files changed, 10 insertions(+), 9 deletions(-)
diff --git a/sci-physics/openmx/openmx-3.6.ebuild b/sci-physics/openmx/openmx-3.6.ebuild
index 78f65a3..4f83c2a 100644
--- a/sci-physics/openmx/openmx-3.6.ebuild
+++ b/sci-physics/openmx/openmx-3.6.ebuild
@@ -20,11 +20,8 @@ S="${WORKDIR}/${PN}${PV}"
RDEPEND="virtual/blas
virtual/lapack
- sci-libs/fftw:3
- mpi? ( virtual/mpi
- sci-libs/fftw:3[mpi] )
- openmp? ( sys-devel/gcc[openmp]
- sci-libs/fftw:3[openmp] )"
+ sci-libs/fftw:3.0[mpi?,openmp?]
+ mpi? ( virtual/mpi )"
DEPEND="${RDEPEND}
dev-util/pkgconfig"
@@ -37,7 +34,11 @@ pkg_setup() {
fi
if use openmp; then
- export CC="${CC} -fopenmp"
+ if tc-has-openmp; then
+ export CC="${CC} -fopenmp"
+ else
+ die "Please switch to an openmp compatible compiler"
+ fi
fi
}
@@ -68,8 +69,8 @@ src_configure() {
local MX_LIB="${MX_LIB} $(pkg-config --static --libs ${FFTW_FLAVOUR})"
sed -i -e "s%^CC *=.*$%CC = ${CC} ${CFLAGS}%" \
- -e "s%^LIB *=.*$%LIB = ${MX_LIB}%" \
- source/makefile
+ -e "s%^LIB *=.*$%LIB = ${MX_LIB}%" \
+ source/makefile
}
src_compile() {
@@ -93,4 +94,4 @@ src_install() {
emake DESTDIR="${D}/usr/bin" install
dodoc "${S}/${PN}${PV}.pdf"
use test && dodoc "${S}"/work/runtest.result
-}
\ No newline at end of file
+}
^ permalink raw reply related [flat|nested] 11+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/openmx/
@ 2013-02-21 22:56 Justin Lecher
0 siblings, 0 replies; 11+ messages in thread
From: Justin Lecher @ 2013-02-21 22:56 UTC (permalink / raw
To: gentoo-commits
commit: 1111c8d5e893afcb2bc06209123164569f4e4894
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Thu Feb 21 22:21:17 2013 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Thu Feb 21 22:21:17 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=1111c8d5
sci-physics/openmx: Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config; add missing dep on virtual/pkgconfig
Package-Manager: portage-2.2.0_alpha163
---
sci-physics/openmx/ChangeLog | 5 ++++
sci-physics/openmx/metadata.xml | 5 ++++
sci-physics/openmx/openmx-3.6.ebuild | 40 +++++++++++++++++-----------------
3 files changed, 30 insertions(+), 20 deletions(-)
diff --git a/sci-physics/openmx/ChangeLog b/sci-physics/openmx/ChangeLog
index 37b46f6..8ae1efd 100644
--- a/sci-physics/openmx/ChangeLog
+++ b/sci-physics/openmx/ChangeLog
@@ -2,6 +2,11 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 21 Feb 2013; Justin Lecher <jlec@gentoo.org> openmx-3.6.ebuild,
+ +metadata.xml:
+ Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config;
+ add missing dep on virtual/pkgconfig
+
*openmx-3.6 (17 Jan 2013)
17 Jan 2013; Honza Macháček <Hloupy.Honza@centrum.cz> +openmx-3.6.ebuild:
diff --git a/sci-physics/openmx/metadata.xml b/sci-physics/openmx/metadata.xml
new file mode 100644
index 0000000..897aa2e
--- /dev/null
+++ b/sci-physics/openmx/metadata.xml
@@ -0,0 +1,5 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+ <herd>sci</herd>
+</pkgmetadata>
diff --git a/sci-physics/openmx/openmx-3.6.ebuild b/sci-physics/openmx/openmx-3.6.ebuild
index 4f83c2a..b4832fd 100644
--- a/sci-physics/openmx/openmx-3.6.ebuild
+++ b/sci-physics/openmx/openmx-3.6.ebuild
@@ -6,25 +6,26 @@ EAPI="4"
inherit eutils multilib toolchain-funcs
-DESCRIPTION="Open source package for Material eXplorer using DFT, norm-conserving
-pseudopotentials, and pseudo-atomic localized basis functions."
+DESCRIPTION="Material eXplorer using DFT, norm-conserving pseudopotentials, and pseudo-atomic localized basis functions"
HOMEPAGE="http://www.openmx-square.org/"
-SRC_URI="http://www.openmx-square.org/${PN}${PV}.tar.gz
- http://www.openmx-square.org/bugfixed/11Nov14/patch${PV}.1.tar.gz"
+SRC_URI="
+ http://www.openmx-square.org/${PN}${PV}.tar.gz
+ http://www.openmx-square.org/bugfixed/11Nov14/patch${PV}.1.tar.gz"
LICENSE="GPL-3"
SLOT="0"
KEYWORDS="~amd64 ~x86"
IUSE="-debug mpi openmp test"
-S="${WORKDIR}/${PN}${PV}"
-RDEPEND="virtual/blas
- virtual/lapack
- sci-libs/fftw:3.0[mpi?,openmp?]
- mpi? ( virtual/mpi )"
+RDEPEND="
+ virtual/blas
+ virtual/lapack
+ sci-libs/fftw:3.0[mpi?,openmp?]
+ mpi? ( virtual/mpi )"
DEPEND="${RDEPEND}
- dev-util/pkgconfig"
+ virtual/pkgconfig"
+S="${WORKDIR}/${PN}${PV}"
pkg_setup() {
if use mpi; then
@@ -49,7 +50,6 @@ src_prepare() {
}
src_configure() {
- CFLAGS="${CFLAGS:- -O3 -funroll-loops -ffast-math}"
local FFTW_FLAVOUR=fftw3
if use openmp; then
FFTW_FLAVOUR=fftw3_omp
@@ -61,26 +61,26 @@ src_configure() {
else
export CFLAGS="${CFLAGS} -Dnompi"
fi
- CFLAGS="${CFLAGS} $(pkg-config --cflags lapack)"
- CFLAGS="${CFLAGS} $(pkg-config --cflags ${FFTW_FLAVOUR})"
+ CFLAGS="${CFLAGS} $($(tc-getPKG_CONFIG) --cflags lapack)"
+ CFLAGS="${CFLAGS} $($(tc-getPKG_CONFIG) --cflags ${FFTW_FLAVOUR})"
export CFLAGS
- local MX_LIB="$(pkg-config --static --libs lapack)"
- local MX_LIB="${MX_LIB} $(pkg-config --static --libs ${FFTW_FLAVOUR})"
+ local MX_LIB="$($(tc-getPKG_CONFIG) --static --libs lapack)"
+ local MX_LIB="${MX_LIB} $($(tc-getPKG_CONFIG) --static --libs ${FFTW_FLAVOUR})"
- sed -i -e "s%^CC *=.*$%CC = ${CC} ${CFLAGS}%" \
+ sed \
+ -e "s%^CC *=.*$%CC = ${CC} ${CFLAGS}%" \
-e "s%^LIB *=.*$%LIB = ${MX_LIB}%" \
- source/makefile
+ -i source/makefile || die
}
src_compile() {
- cd source
- emake || die "make failed"
+ emake -C source
}
src_test() {
cd work
- ../source/openmx -runtest
+ ../source/openmx -runtest || die
}
src_install() {
^ permalink raw reply related [flat|nested] 11+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/openmx/
@ 2013-07-16 12:20 Honza Macháček
0 siblings, 0 replies; 11+ messages in thread
From: Honza Macháček @ 2013-07-16 12:20 UTC (permalink / raw
To: gentoo-commits
commit: 121212855451213b27e0f723cffdcc3950b7444d
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Tue Jul 16 12:20:40 2013 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Tue Jul 16 12:20:40 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=12121285
In sci-physics/openmx-3.7.3, data directory name quickly corrected, version updated to 3.7.4.
---
sci-physics/openmx/ChangeLog | 7 +++++++
sci-physics/openmx/{openmx-3.7.3.ebuild => openmx-3.7.4.ebuild} | 6 ++++--
2 files changed, 11 insertions(+), 2 deletions(-)
diff --git a/sci-physics/openmx/ChangeLog b/sci-physics/openmx/ChangeLog
index e6d94d0..6e4ccb1 100644
--- a/sci-physics/openmx/ChangeLog
+++ b/sci-physics/openmx/ChangeLog
@@ -2,6 +2,13 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*openmx-3.7.4 (16 Jul 2013)
+
+ 16 Jul 2013; Honza Macháček <Hloupy.Honza@centrum.cz> -openmx-3.7.3.ebuild,
+ +openmx-3.7.4.ebuild:
+ Quickly corrected DFT_DATA13 directory name, patchlevel (minor version)
+ updated.
+
*openmx-3.7.3 (18 Jun 2013)
18 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz> +openmx-3.7.3.ebuild,
diff --git a/sci-physics/openmx/openmx-3.7.3.ebuild b/sci-physics/openmx/openmx-3.7.4.ebuild
similarity index 96%
rename from sci-physics/openmx/openmx-3.7.3.ebuild
rename to sci-physics/openmx/openmx-3.7.4.ebuild
index f6e7aef..1a973d1 100644
--- a/sci-physics/openmx/openmx-3.7.3.ebuild
+++ b/sci-physics/openmx/openmx-3.7.4.ebuild
@@ -6,11 +6,13 @@ EAPI=5
inherit eutils multilib toolchain-funcs fortran-2
+PATCHDATE="13July03"
+
DESCRIPTION="Material eXplorer using DFT, NC pseudopotentials, and pseudo-atomic localized basis functions"
HOMEPAGE="http://www.openmx-square.org/"
SRC_URI="
http://www.openmx-square.org/${PN}${PV%.[0-9]}.tar.gz
- http://www.openmx-square.org/bugfixed/13June03/patch${PV}.tar.gz"
+ http://www.openmx-square.org/bugfixed/${PATCHDATE}/patch${PV}.tar.gz"
LICENSE="GPL-3"
SLOT="0"
@@ -149,7 +151,7 @@ src_test() {
src_install() {
insinto /usr/share/${P}
- doins -r DFT_DATA11
+ doins -r DFT_DATA13
cd work
insinto /usr/share/${P}/examples
doins -r *
^ permalink raw reply related [flat|nested] 11+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/openmx/
@ 2013-07-16 12:58 Honza Macháček
0 siblings, 0 replies; 11+ messages in thread
From: Honza Macháček @ 2013-07-16 12:58 UTC (permalink / raw
To: gentoo-commits
commit: 6a767aa71b879484f582fc94d8c1d6c8bcda2379
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Tue Jul 16 12:58:42 2013 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Tue Jul 16 12:58:42 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=6a767aa7
In sci-physics/openmx-3.7.4, the version of the PDF manual cited in the ebuild quickly fixed.
---
sci-physics/openmx/ChangeLog | 3 +++
sci-physics/openmx/openmx-3.7.4.ebuild | 2 +-
2 files changed, 4 insertions(+), 1 deletion(-)
diff --git a/sci-physics/openmx/ChangeLog b/sci-physics/openmx/ChangeLog
index 6e4ccb1..b38e728 100644
--- a/sci-physics/openmx/ChangeLog
+++ b/sci-physics/openmx/ChangeLog
@@ -2,6 +2,9 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 16 Jul 2013; Honza Macháček <Hloupy.Honza@centrum.cz> openmx-3.7.4.ebuild:
+ Another quick fix, the version number of the PDF manual.
+
*openmx-3.7.4 (16 Jul 2013)
16 Jul 2013; Honza Macháček <Hloupy.Honza@centrum.cz> -openmx-3.7.3.ebuild,
diff --git a/sci-physics/openmx/openmx-3.7.4.ebuild b/sci-physics/openmx/openmx-3.7.4.ebuild
index 1a973d1..e4fff03 100644
--- a/sci-physics/openmx/openmx-3.7.4.ebuild
+++ b/sci-physics/openmx/openmx-3.7.4.ebuild
@@ -158,6 +158,6 @@ src_install() {
cd ../source
dodir /usr/bin
emake DESTDIR="${D}/usr/bin" install
- dodoc "${S}/${PN}${PV}.pdf"
+ dodoc "${S}/${PN}${PV%.?}.pdf"
use test && dodoc "${S}"/work/runtest.result
}
^ permalink raw reply related [flat|nested] 11+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/openmx/
2013-09-26 9:41 Honza Macháček
@ 2013-09-19 7:57 ` Honza Macháček
0 siblings, 0 replies; 11+ messages in thread
From: Honza Macháček @ 2013-09-19 7:57 UTC (permalink / raw
To: gentoo-commits
commit: 6fb2f4e8860e2ccdf204e734333e11c026dbd066
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Thu Sep 19 07:56:37 2013 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Thu Sep 19 07:56:37 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=6fb2f4e8
sci-physics/openm updated to 3.7.6, corrected linking with fortran code using gcc.
Package-Manager: portage-2.2.1
---
sci-physics/openmx/ChangeLog | 6 ++++++
.../openmx/{openmx-3.7.4.ebuild => openmx-3.7.6.ebuild} | 12 ++++++++++--
2 files changed, 16 insertions(+), 2 deletions(-)
diff --git a/sci-physics/openmx/ChangeLog b/sci-physics/openmx/ChangeLog
index b38e728..e0852b2 100644
--- a/sci-physics/openmx/ChangeLog
+++ b/sci-physics/openmx/ChangeLog
@@ -2,6 +2,12 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*openmx-3.7.6 (19 Sep 2013)
+
+ 19 Sep 2013; Honza Macháček <Hloupy.Honza@centrum.cz> -openmx-3.7.4.ebuild,
+ +openmx-3.7.6.ebuild:
+ Updated to 3.7.6, corrected linking with fortran code using gcc.
+
16 Jul 2013; Honza Macháček <Hloupy.Honza@centrum.cz> openmx-3.7.4.ebuild:
Another quick fix, the version number of the PDF manual.
diff --git a/sci-physics/openmx/openmx-3.7.4.ebuild b/sci-physics/openmx/openmx-3.7.6.ebuild
similarity index 92%
rename from sci-physics/openmx/openmx-3.7.4.ebuild
rename to sci-physics/openmx/openmx-3.7.6.ebuild
index e4fff03..bb44f16 100644
--- a/sci-physics/openmx/openmx-3.7.4.ebuild
+++ b/sci-physics/openmx/openmx-3.7.6.ebuild
@@ -6,7 +6,7 @@ EAPI=5
inherit eutils multilib toolchain-funcs fortran-2
-PATCHDATE="13July03"
+PATCHDATE="13Sep01"
DESCRIPTION="Material eXplorer using DFT, NC pseudopotentials, and pseudo-atomic localized basis functions"
HOMEPAGE="http://www.openmx-square.org/"
@@ -34,6 +34,14 @@ MAKEOPTS+=" -j1"
FORTRAN_STANDARD=90
pkg_setup() {
+ # Link in the GNU Fortran library for Fortran code.
+ # Other compilers may need other hacks.
+ FC_LIB=""
+ if [[ $(tc-getCC)$ == *gcc* ]]; then
+ FC_LIB="-lgfortran"
+ fi
+ export FC_LIB
+
if use mpi; then
export CC="mpicc"
export FC="mpif90"
@@ -136,7 +144,7 @@ src_configure() {
sed \
-e "s%^CC *=.*$%CC = ${CC} ${CFLAGS}%" \
-e "s%^FC *=.*$%FC = ${FC} ${FCFLAGS}%" \
- -e "s%^LIB *=.*$%LIB = ${MX_LIB}%" \
+ -e "s%^LIB *=.*$%LIB = ${MX_LIB} ${FC_LIB}%" \
-i source/makefile || die
}
^ permalink raw reply related [flat|nested] 11+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/openmx/
@ 2013-09-20 9:48 Justin Lecher
0 siblings, 0 replies; 11+ messages in thread
From: Justin Lecher @ 2013-09-20 9:48 UTC (permalink / raw
To: gentoo-commits
commit: 844285d7b371a76beec41585a91ff80a7a3ba1f3
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Thu Sep 19 07:56:37 2013 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Fri Sep 20 09:46:51 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=844285d7
sci-physics/openm updated to 3.7.6, corrected linking with fortran code using gcc.
Package-Manager: portage-2.2.1
---
sci-physics/openmx/ChangeLog | 6 ++++++
.../openmx/{openmx-3.7.4.ebuild => openmx-3.7.6.ebuild} | 12 ++++++++++--
2 files changed, 16 insertions(+), 2 deletions(-)
diff --git a/sci-physics/openmx/ChangeLog b/sci-physics/openmx/ChangeLog
index b38e728..e0852b2 100644
--- a/sci-physics/openmx/ChangeLog
+++ b/sci-physics/openmx/ChangeLog
@@ -2,6 +2,12 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*openmx-3.7.6 (19 Sep 2013)
+
+ 19 Sep 2013; Honza Macháček <Hloupy.Honza@centrum.cz> -openmx-3.7.4.ebuild,
+ +openmx-3.7.6.ebuild:
+ Updated to 3.7.6, corrected linking with fortran code using gcc.
+
16 Jul 2013; Honza Macháček <Hloupy.Honza@centrum.cz> openmx-3.7.4.ebuild:
Another quick fix, the version number of the PDF manual.
diff --git a/sci-physics/openmx/openmx-3.7.4.ebuild b/sci-physics/openmx/openmx-3.7.6.ebuild
similarity index 92%
rename from sci-physics/openmx/openmx-3.7.4.ebuild
rename to sci-physics/openmx/openmx-3.7.6.ebuild
index e4fff03..bb44f16 100644
--- a/sci-physics/openmx/openmx-3.7.4.ebuild
+++ b/sci-physics/openmx/openmx-3.7.6.ebuild
@@ -6,7 +6,7 @@ EAPI=5
inherit eutils multilib toolchain-funcs fortran-2
-PATCHDATE="13July03"
+PATCHDATE="13Sep01"
DESCRIPTION="Material eXplorer using DFT, NC pseudopotentials, and pseudo-atomic localized basis functions"
HOMEPAGE="http://www.openmx-square.org/"
@@ -34,6 +34,14 @@ MAKEOPTS+=" -j1"
FORTRAN_STANDARD=90
pkg_setup() {
+ # Link in the GNU Fortran library for Fortran code.
+ # Other compilers may need other hacks.
+ FC_LIB=""
+ if [[ $(tc-getCC)$ == *gcc* ]]; then
+ FC_LIB="-lgfortran"
+ fi
+ export FC_LIB
+
if use mpi; then
export CC="mpicc"
export FC="mpif90"
@@ -136,7 +144,7 @@ src_configure() {
sed \
-e "s%^CC *=.*$%CC = ${CC} ${CFLAGS}%" \
-e "s%^FC *=.*$%FC = ${FC} ${FCFLAGS}%" \
- -e "s%^LIB *=.*$%LIB = ${MX_LIB}%" \
+ -e "s%^LIB *=.*$%LIB = ${MX_LIB} ${FC_LIB}%" \
-i source/makefile || die
}
^ permalink raw reply related [flat|nested] 11+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/openmx/
@ 2013-09-26 9:41 Honza Macháček
2013-09-19 7:57 ` Honza Macháček
0 siblings, 1 reply; 11+ messages in thread
From: Honza Macháček @ 2013-09-26 9:41 UTC (permalink / raw
To: gentoo-commits
commit: 6fb2f4e8860e2ccdf204e734333e11c026dbd066
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Thu Sep 19 07:56:37 2013 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Thu Sep 19 07:56:37 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=6fb2f4e8
sci-physics/openm updated to 3.7.6, corrected linking with fortran code using gcc.
Package-Manager: portage-2.2.1
---
sci-physics/openmx/ChangeLog | 6 ++++++
.../openmx/{openmx-3.7.4.ebuild => openmx-3.7.6.ebuild} | 12 ++++++++++--
2 files changed, 16 insertions(+), 2 deletions(-)
diff --git a/sci-physics/openmx/ChangeLog b/sci-physics/openmx/ChangeLog
index b38e728..e0852b2 100644
--- a/sci-physics/openmx/ChangeLog
+++ b/sci-physics/openmx/ChangeLog
@@ -2,6 +2,12 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*openmx-3.7.6 (19 Sep 2013)
+
+ 19 Sep 2013; Honza Macháček <Hloupy.Honza@centrum.cz> -openmx-3.7.4.ebuild,
+ +openmx-3.7.6.ebuild:
+ Updated to 3.7.6, corrected linking with fortran code using gcc.
+
16 Jul 2013; Honza Macháček <Hloupy.Honza@centrum.cz> openmx-3.7.4.ebuild:
Another quick fix, the version number of the PDF manual.
diff --git a/sci-physics/openmx/openmx-3.7.4.ebuild b/sci-physics/openmx/openmx-3.7.6.ebuild
similarity index 92%
rename from sci-physics/openmx/openmx-3.7.4.ebuild
rename to sci-physics/openmx/openmx-3.7.6.ebuild
index e4fff03..bb44f16 100644
--- a/sci-physics/openmx/openmx-3.7.4.ebuild
+++ b/sci-physics/openmx/openmx-3.7.6.ebuild
@@ -6,7 +6,7 @@ EAPI=5
inherit eutils multilib toolchain-funcs fortran-2
-PATCHDATE="13July03"
+PATCHDATE="13Sep01"
DESCRIPTION="Material eXplorer using DFT, NC pseudopotentials, and pseudo-atomic localized basis functions"
HOMEPAGE="http://www.openmx-square.org/"
@@ -34,6 +34,14 @@ MAKEOPTS+=" -j1"
FORTRAN_STANDARD=90
pkg_setup() {
+ # Link in the GNU Fortran library for Fortran code.
+ # Other compilers may need other hacks.
+ FC_LIB=""
+ if [[ $(tc-getCC)$ == *gcc* ]]; then
+ FC_LIB="-lgfortran"
+ fi
+ export FC_LIB
+
if use mpi; then
export CC="mpicc"
export FC="mpif90"
@@ -136,7 +144,7 @@ src_configure() {
sed \
-e "s%^CC *=.*$%CC = ${CC} ${CFLAGS}%" \
-e "s%^FC *=.*$%FC = ${FC} ${FCFLAGS}%" \
- -e "s%^LIB *=.*$%LIB = ${MX_LIB}%" \
+ -e "s%^LIB *=.*$%LIB = ${MX_LIB} ${FC_LIB}%" \
-i source/makefile || die
}
^ permalink raw reply related [flat|nested] 11+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/openmx/
@ 2014-06-02 14:05 Honza Macháček
0 siblings, 0 replies; 11+ messages in thread
From: Honza Macháček @ 2014-06-02 14:05 UTC (permalink / raw
To: gentoo-commits
commit: 7991408e4a0ac2c51c0f76b5eee00452d7b9e4ac
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Mon Jun 2 14:04:33 2014 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Mon Jun 2 14:04:33 2014 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=7991408e
sci-physics/openmx bumped to the version 3.7.8
Package-Manager: portage-2.2.10
---
sci-physics/openmx/ChangeLog | 8 +++++++-
sci-physics/openmx/{openmx-3.7.6.ebuild => openmx-3.7.8.ebuild} | 2 +-
2 files changed, 8 insertions(+), 2 deletions(-)
diff --git a/sci-physics/openmx/ChangeLog b/sci-physics/openmx/ChangeLog
index e0852b2..7ddb2f4 100644
--- a/sci-physics/openmx/ChangeLog
+++ b/sci-physics/openmx/ChangeLog
@@ -1,7 +1,13 @@
# ChangeLog for sci-physics/openmx
-# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
+# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*openmx-3.7.8 (02 Jun 2014)
+
+ 02 Jun 2014; Honza Macháček <Hloupy.Honza@centrum.cz> -openmx-3.7.6.ebuild,
+ +openmx-3.7.8.ebuild:
+ Version bumped to 3.7.8
+
*openmx-3.7.6 (19 Sep 2013)
19 Sep 2013; Honza Macháček <Hloupy.Honza@centrum.cz> -openmx-3.7.4.ebuild,
diff --git a/sci-physics/openmx/openmx-3.7.6.ebuild b/sci-physics/openmx/openmx-3.7.8.ebuild
similarity index 99%
rename from sci-physics/openmx/openmx-3.7.6.ebuild
rename to sci-physics/openmx/openmx-3.7.8.ebuild
index 45f1f11..d10da70 100644
--- a/sci-physics/openmx/openmx-3.7.6.ebuild
+++ b/sci-physics/openmx/openmx-3.7.8.ebuild
@@ -6,7 +6,7 @@ EAPI=5
inherit eutils multilib toolchain-funcs fortran-2
-PATCHDATE="13Sep01"
+PATCHDATE="14Feb17"
DESCRIPTION="Material eXplorer using DFT, NC pseudopotentials, and pseudo-atomic localized basis functions"
HOMEPAGE="http://www.openmx-square.org/"
^ permalink raw reply related [flat|nested] 11+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/openmx/
@ 2021-01-19 17:02 Andrew Ammerlaan
0 siblings, 0 replies; 11+ messages in thread
From: Andrew Ammerlaan @ 2021-01-19 17:02 UTC (permalink / raw
To: gentoo-commits
commit: 8a20cc3e965b8dab2e28f63c4246135b3ad04b02
Author: Andrew Ammerlaan <andrewammerlaan <AT> riseup <DOT> net>
AuthorDate: Tue Jan 19 16:58:56 2021 +0000
Commit: Andrew Ammerlaan <andrewammerlaan <AT> riseup <DOT> net>
CommitDate: Tue Jan 19 16:58:56 2021 +0000
URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=8a20cc3e
sci-physics/openmx: add RESTRICT="!test? ( test )"
Package-Manager: Portage-3.0.13, Repoman-3.0.2
Signed-off-by: Andrew Ammerlaan <andrewammerlaan <AT> riseup.net>
sci-physics/openmx/openmx-3.9.ebuild | 1 +
1 file changed, 1 insertion(+)
diff --git a/sci-physics/openmx/openmx-3.9.ebuild b/sci-physics/openmx/openmx-3.9.ebuild
index dd2aa4975..ce72ba2f6 100644
--- a/sci-physics/openmx/openmx-3.9.ebuild
+++ b/sci-physics/openmx/openmx-3.9.ebuild
@@ -14,6 +14,7 @@ SLOT="0"
KEYWORDS=""
IUSE="debug openmp test"
+RESTRICT="!test? ( test )"
RDEPEND="
virtual/blas
^ permalink raw reply related [flat|nested] 11+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/openmx/
@ 2021-12-16 10:57 Andrew Ammerlaan
0 siblings, 0 replies; 11+ messages in thread
From: Andrew Ammerlaan @ 2021-12-16 10:57 UTC (permalink / raw
To: gentoo-commits
commit: 9da418fa4949f411c0955f3f09d767e8a4aa61e6
Author: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
AuthorDate: Thu Dec 16 10:54:33 2021 +0000
Commit: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
CommitDate: Thu Dec 16 10:54:33 2021 +0000
URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=9da418fa
sci-physics/openmx: drop UnusedInherits
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Andrew Ammerlaan <andrewammerlaan <AT> gentoo.org>
sci-physics/openmx/openmx-3.9.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-physics/openmx/openmx-3.9.ebuild b/sci-physics/openmx/openmx-3.9.ebuild
index ce72ba2f6..e58af9665 100644
--- a/sci-physics/openmx/openmx-3.9.ebuild
+++ b/sci-physics/openmx/openmx-3.9.ebuild
@@ -3,7 +3,7 @@
EAPI=7
-inherit multilib toolchain-funcs flag-o-matic fortran-2
+inherit toolchain-funcs flag-o-matic fortran-2
DESCRIPTION="Material eXplorer"
HOMEPAGE="http://www.openmx-square.org/" # no https, SSL invalid
^ permalink raw reply related [flat|nested] 11+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/openmx/
@ 2022-01-24 16:06 Andrew Ammerlaan
0 siblings, 0 replies; 11+ messages in thread
From: Andrew Ammerlaan @ 2022-01-24 16:06 UTC (permalink / raw
To: gentoo-commits
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
^ permalink raw reply related [flat|nested] 11+ messages in thread
end of thread, other threads:[~2022-01-24 16:06 UTC | newest]
Thread overview: 11+ messages (download: mbox.gz follow: Atom feed
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2013-09-26 9:41 Honza Macháček
2013-09-19 7:57 ` Honza Macháček
2013-07-16 12:58 Honza Macháček
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2013-02-21 22:56 Justin Lecher
2013-01-29 9:31 Kacper Kowalik
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