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* [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
-- links below jump to the message on this page --
2013-01-29  9:31 [gentoo-commits] proj/sci:master commit in: sci-physics/openmx/ Kacper Kowalik
  -- strict thread matches above, loose matches on Subject: below --
2013-02-21 22:56 Justin Lecher
2013-07-16 12:20 Honza Macháček
2013-07-16 12:58 Honza Macháček
2013-09-20  9:48 Justin Lecher
2013-09-26  9:41 Honza Macháček
2013-09-19  7:57 ` Honza Macháček
2014-06-02 14:05 Honza Macháček
2021-01-19 17:02 Andrew Ammerlaan
2021-12-16 10:57 Andrew Ammerlaan
2022-01-24 16:06 Andrew Ammerlaan

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