* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2011-05-11 17:05 Dongxu Li
0 siblings, 0 replies; 27+ messages in thread
From: Dongxu Li @ 2011-05-11 17:05 UTC (permalink / raw
To: gentoo-commits
commit: 1eac67505fc634ef3c4cbebfa3a7cf3f42e78c94
Author: Dongxu Li <dongxuli2011 <AT> gmail <DOT> com>
AuthorDate: Wed May 11 17:05:17 2011 +0000
Commit: Dongxu Li <dongxuli2011 <AT> gmail <DOT> com>
CommitDate: Wed May 11 17:05:17 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=1eac6750
sci-physics/abinit: fixed configure error for fftw3
---
sci-physics/abinit/ChangeLog | 3 +++
sci-physics/abinit/abinit-6.6.2.ebuild | 11 ++---------
sci-physics/abinit/abinit-6.6.3.ebuild | 9 ++-------
3 files changed, 7 insertions(+), 16 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 2847377..c3d7700 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -4,6 +4,9 @@
*abinit-6.6.3 (10 May 2011)
+ 11 May 2011; Dongxu Li <dongxuli2011@gmail.com> abinit-6.6.3.ebuild abinit-6.6.2.ebuild:
+ --with-fft-flavor=fftw3-threads still not accepted by configure, removed for the time being. arch="ppc" still causes DEPEND.bad
+
10 May 2011; Honza Macháček <Hloupy.Honza@centrum.cz> +abinit-6.6.3.ebuild:
Another quick version bump. Minor cleanup, smp removed until usable. Bizzare
6.6.2 ebuild mostly ignored, but not deleted until discussed. In the list?
diff --git a/sci-physics/abinit/abinit-6.6.2.ebuild b/sci-physics/abinit/abinit-6.6.2.ebuild
index 12fab38..a879cd1 100644
--- a/sci-physics/abinit/abinit-6.6.2.ebuild
+++ b/sci-physics/abinit/abinit-6.6.2.ebuild
@@ -89,15 +89,8 @@ src_configure() {
local netcdff_libs="-lnetcdff"
use hdf5 && netcdff_libs="${netcdff_libs} -lhdf5_fortran"
local fft_flavor="fftw3"
- local fft_libs="-lfftw3"
- fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
- #fft_flavor="fftw3-threads" doesn't build for me
- #if use threads; then
- # fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
- # fft_flavor="fftw3-threads"
- #else
- # fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
- #fi
+ # fft_flavor="fftw3-threads" causes error in ./confgure
+ local fft_libs="/usr/$(get_libdir) $(pkg-config --libs fftw3)"
if use mpi; then
MY_FC="mpif90"
MY_CC="mpicc"
diff --git a/sci-physics/abinit/abinit-6.6.3.ebuild b/sci-physics/abinit/abinit-6.6.3.ebuild
index 4321fc1..fb8c996 100644
--- a/sci-physics/abinit/abinit-6.6.3.ebuild
+++ b/sci-physics/abinit/abinit-6.6.3.ebuild
@@ -69,13 +69,8 @@ src_configure() {
local netcdff_libs="-lnetcdff"
use hdf5 && netcdff_libs="${netcdff_libs} -lhdf5_fortran"
local fft_flavor="fftw3"
- local fft_libs="-L/usr/lib"
- if use threads; then
- fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
- fft_flavor="fftw3-threads"
- else
- fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
- fi
+ #fft_flavor="fftw3-threads" causes a ./configure error
+ local fft_libs="-L/usr/$(get_libdir) $(pkg-config --libs fftw3)"
if use mpi; then
MY_FC="mpif90"
MY_CC="mpicc"
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2015-09-23 12:48 Justin Lecher
0 siblings, 0 replies; 27+ messages in thread
From: Justin Lecher @ 2015-09-23 12:48 UTC (permalink / raw
To: gentoo-commits
commit: b05acb97b1671493b661e2a8cdcbb7411c2d4906
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Wed Sep 23 12:11:58 2015 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Wed Sep 23 12:11:58 2015 +0000
URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=b05acb97
sci-physics/abinit: Use default functions
Package-Manager: portage-2.2.21
Signed-off-by: Justin Lecher <jlec <AT> gentoo.org>
sci-physics/abinit/abinit-7.10.4.ebuild | 2 +-
sci-physics/abinit/abinit-7.4.2-r1.ebuild | 2 +-
sci-physics/abinit/abinit-7.6.4-r1.ebuild | 2 +-
3 files changed, 3 insertions(+), 3 deletions(-)
diff --git a/sci-physics/abinit/abinit-7.10.4.ebuild b/sci-physics/abinit/abinit-7.10.4.ebuild
index bf228f2..38ff682 100644
--- a/sci-physics/abinit/abinit-7.10.4.ebuild
+++ b/sci-physics/abinit/abinit-7.10.4.ebuild
@@ -351,7 +351,7 @@ src_install() {
#autotools-utils_src_install() expanded
_check_build_dir
pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
- emake DESTDIR="${D}" install
+ default
use libabinit && dolib libabinit.a
diff --git a/sci-physics/abinit/abinit-7.4.2-r1.ebuild b/sci-physics/abinit/abinit-7.4.2-r1.ebuild
index 7833909..51f7ee7 100644
--- a/sci-physics/abinit/abinit-7.4.2-r1.ebuild
+++ b/sci-physics/abinit/abinit-7.4.2-r1.ebuild
@@ -307,7 +307,7 @@ src_install() {
#autotools-utils_src_install() expanded
_check_build_dir
pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
- emake DESTDIR="${D}" install
+ default
use libabinit && dolib libabinit.a
diff --git a/sci-physics/abinit/abinit-7.6.4-r1.ebuild b/sci-physics/abinit/abinit-7.6.4-r1.ebuild
index e20fb75..61ba323 100644
--- a/sci-physics/abinit/abinit-7.6.4-r1.ebuild
+++ b/sci-physics/abinit/abinit-7.6.4-r1.ebuild
@@ -352,7 +352,7 @@ src_install() {
#autotools-utils_src_install() expanded
_check_build_dir
pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
- emake DESTDIR="${D}" install
+ default
use libabinit && dolib libabinit.a
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2015-02-08 21:07 Christoph Junghans
0 siblings, 0 replies; 27+ messages in thread
From: Christoph Junghans @ 2015-02-08 21:07 UTC (permalink / raw
To: gentoo-commits
commit: d020a7a157212a8865c99ba428ef48fcbb7f3ff3
Author: Marius Brehler <marbre <AT> linux <DOT> sungazer <DOT> de>
AuthorDate: Sat Feb 7 10:38:33 2015 +0000
Commit: Christoph Junghans <ottxor <AT> gentoo <DOT> org>
CommitDate: Sat Feb 7 10:46:35 2015 +0000
URL: http://sources.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=d020a7a1
sci-physics/abinit: Add missing, drop useless dies
---
sci-physics/abinit/abinit-7.4.2-r1.ebuild | 14 +++++++-------
sci-physics/abinit/abinit-7.6.4-r1.ebuild | 14 +++++++-------
2 files changed, 14 insertions(+), 14 deletions(-)
diff --git a/sci-physics/abinit/abinit-7.4.2-r1.ebuild b/sci-physics/abinit/abinit-7.4.2-r1.ebuild
index b8aa19b..3316d43 100644
--- a/sci-physics/abinit/abinit-7.4.2-r1.ebuild
+++ b/sci-physics/abinit/abinit-7.4.2-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2014 Gentoo Foundation
+# Copyright 1999-2015 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
@@ -185,7 +185,7 @@ src_prepare() {
"${FILESDIR}"/7.6.4-cuda_header.patch \
"${FILESDIR}"/7.6.4-libxc_versions.patch
eautoreconf
- sed -e"s/\(grep '\^-\)\(\[LloW\]\)'/\1\\\(\2\\\|pthread\\\)'/g" -i configure
+ sed -e"s/\(grep '\^-\)\(\[LloW\]\)'/\1\\\(\2\\\|pthread\\\)'/g" -i configure || die
use test && python_fix_shebang "${S}"/tests
}
@@ -294,7 +294,7 @@ src_compile() {
# Can Abinit use external libabinit.a?
use libabinit && autotools-utils_src_compile libabinit.a
- sed -i -e's/libatlas/lapack/' "${AUTOTOOLS_BUILD_DIR}"/config.pc
+ sed -i -e's/libatlas/lapack/' "${AUTOTOOLS_BUILD_DIR}"/config.pc || die
}
src_test() {
@@ -307,7 +307,7 @@ src_install() {
#autotools-utils_src_install() expanded
_check_build_dir
pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
- emake DESTDIR="${D}" install || die "make install failed"
+ emake DESTDIR="${D}" install
use libabinit && dolib libabinit.a
@@ -321,19 +321,19 @@ src_install() {
# XXX: support installing them from builddir as well!!!
if [[ ${DOCS} ]]; then
- dodoc "${DOCS[@]}" || die "dodoc failed"
+ dodoc "${DOCS[@]}"
else
local f
# same list as in PMS
for f in README* ChangeLog AUTHORS NEWS TODO CHANGES \
THANKS BUGS FAQ CREDITS CHANGELOG; do
if [[ -s ${f} ]]; then
- dodoc "${f}" || die "(default) dodoc ${f} failed"
+ dodoc "${f}"
fi
done
fi
if [[ ${HTML_DOCS} ]]; then
- dohtml -r "${HTML_DOCS[@]}" || die "dohtml failed"
+ dohtml -r "${HTML_DOCS[@]}"
fi
if use scripts; then
diff --git a/sci-physics/abinit/abinit-7.6.4-r1.ebuild b/sci-physics/abinit/abinit-7.6.4-r1.ebuild
index 708b2de..50a03fa 100644
--- a/sci-physics/abinit/abinit-7.6.4-r1.ebuild
+++ b/sci-physics/abinit/abinit-7.6.4-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2014 Gentoo Foundation
+# Copyright 1999-2015 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
@@ -201,7 +201,7 @@ src_prepare() {
"${FILESDIR}"/7.6.4-cuda_header.patch \
"${FILESDIR}"/7.6.4-libxc_versions.patch
eautoreconf
- sed -e"s/\(grep '\^-\)\(\[LloW\]\)'/\1\\\(\2\\\|pthread\\\)'/g" -i configure
+ sed -e"s/\(grep '\^-\)\(\[LloW\]\)'/\1\\\(\2\\\|pthread\\\)'/g" -i configure || die
python_fix_shebang "${S}"
}
@@ -330,7 +330,7 @@ src_compile() {
# Can Abinit use external libabinit.a?
use libabinit && autotools-utils_src_compile libabinit.a
- sed -i -e's/libatlas/lapack/' "${AUTOTOOLS_BUILD_DIR}"/config.pc
+ sed -i -e's/libatlas/lapack/' "${AUTOTOOLS_BUILD_DIR}"/config.pc || die
}
src_test() {
@@ -340,7 +340,7 @@ src_test() {
pushd "${BUILD_DIR}" > /dev/null || die
einfo "Running the internal tests."
- emake tests_in || die 'The internal tests failed.'
+ emake tests_in
einfo "Running the thorough tests. Be patient, please."
"${S}"/tests/runtests.py || ewarn "The package has not passed the thorough tests."
@@ -352,7 +352,7 @@ src_install() {
#autotools-utils_src_install() expanded
_check_build_dir
pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
- emake DESTDIR="${D}" install || die "make install failed"
+ emake DESTDIR="${D}" install
use libabinit && dolib libabinit.a
@@ -373,12 +373,12 @@ src_install() {
for f in README* ChangeLog AUTHORS NEWS TODO CHANGES \
THANKS BUGS FAQ CREDITS CHANGELOG; do
if [[ -s ${f} ]]; then
- dodoc "${f}" || die "(default) dodoc ${f} failed"
+ dodoc "${f}"
fi
done
fi
if [[ ${HTML_DOCS} ]]; then
- dohtml -r "${HTML_DOCS[@]}" || die "dohtml failed"
+ dohtml -r "${HTML_DOCS[@]}"
fi
if use scripts; then
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2014-09-17 20:01 Christoph Junghans
0 siblings, 0 replies; 27+ messages in thread
From: Christoph Junghans @ 2014-09-17 20:01 UTC (permalink / raw
To: gentoo-commits
commit: b43297bd79a945bb8961e2dae2ac7208b5cc10e6
Author: Christoph Junghans <ottxor <AT> gentoo <DOT> org>
AuthorDate: Wed Sep 17 19:58:12 2014 +0000
Commit: Christoph Junghans <ottxor <AT> gentoo <DOT> org>
CommitDate: Wed Sep 17 19:58:12 2014 +0000
URL: http://sources.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=b43297bd
updated metadata.xml
Package-Manager: portage-2.2.8-r1
---
sci-physics/abinit/ChangeLog | 3 +++
sci-physics/abinit/metadata.xml | 6 ------
2 files changed, 3 insertions(+), 6 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 7c785b6..656fde6 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,9 @@
# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 17 Sep 2014; Christoph Junghans <ottxor@gentoo.org> metadata.xml:
+ updated metadata.xml
+
10 Jul 2014; Honza Macháček <Hloupy.Honza@centrum.cz>
+files/7.6.3-libabinit_options.patch:
Added forgotten patch file 7.6.3-libabinit_options.patch for sci-
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml
index eb0c4e6..553687d 100644
--- a/sci-physics/abinit/metadata.xml
+++ b/sci-physics/abinit/metadata.xml
@@ -48,12 +48,6 @@ ABINIT code, different utility programs are provided.
<flag name="fox">Enable support for FoX Fortran XML library</flag>
</use>
<use>
- <flag name="gui">
- Build the abinit GUI (requires java);
- since 7.4.0 a separate package
- </flag>
- </use>
- <use>
<flag name="levmar">
Enable support for <pkg>sci-libs/levmar</pkg>,
the Levenberg-Marquardt least-squares optimisation
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2014-06-27 13:54 Honza Macháček
0 siblings, 0 replies; 27+ messages in thread
From: Honza Macháček @ 2014-06-27 13:54 UTC (permalink / raw
To: gentoo-commits
commit: 4f1c3ab6bcdefdade71186214b625663eada8a77
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Fri Jun 27 13:53:49 2014 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Fri Jun 27 13:53:49 2014 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=4f1c3ab6
Version bumped to 7.6.4. ScaLAPACK support, and use of the MPI implementation of sci-libs/fftw added. Minor attempts on enhancements and cleanup.
Package-Manager: portage-2.2.10
---
sci-physics/abinit/ChangeLog | 9 +-
sci-physics/abinit/abinit-7.6.4.ebuild | 388 +++++++++++++++++++++++++++++++++
sci-physics/abinit/metadata.xml | 23 +-
3 files changed, 415 insertions(+), 5 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 6baa378..11dd22a 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -1,7 +1,14 @@
# ChangeLog for sci-physics/abinit
-# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
+# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*abinit-7.6.4 (27 Jun 2014)
+
+ 27 Jun 2014; Honza Macháček <Hloupy.Honza@centrum.cz> +abinit-7.6.4.ebuild,
+ metadata.xml:
+ Version bumped to 7.6.4. ScaLAPACK support, and use of the MPI implementation
+ of sci-libs/fftw added. Minor attempts on enhancements and cleanup.
+
10 Oct 2013; Honza Macháček <Hloupy.Honza@centrum.cz> abinit-7.4.2.ebuild,
+files/7.4.2-cuda_link_stdc++.patch:
Added a patch to link libstdc++ with the C++ CUDA objects.
diff --git a/sci-physics/abinit/abinit-7.6.4.ebuild b/sci-physics/abinit/abinit-7.6.4.ebuild
new file mode 100644
index 0000000..6947f11
--- /dev/null
+++ b/sci-physics/abinit/abinit-7.6.4.ebuild
@@ -0,0 +1,388 @@
+# Copyright 1999-2014 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_5,2_6,2_7} )
+
+inherit autotools-utils eutils flag-o-matic fortran-2 multilib python-single-r1 toolchain-funcs
+
+DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory"
+HOMEPAGE="http://www.abinit.org/"
+SRC_URI="http://ftp.abinit.org/${P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="atompaw bigdft cuda cuda-double -debug +etsf_io +fftw fftw-mpi +fftw-threads +fox gsl +hdf5 levmar -libabinit libxc -lotf mpi +netcdf openmp python scalapack scripts -test +threads wannier"
+
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
+#" scalapack? ( !bigdft )"
+
+RDEPEND="virtual/blas
+ virtual/lapack
+ ${PYTHON_DEPS}
+ dev-python/numpy
+ atompaw? ( >=sci-physics/atompaw-3.0.1.9-r1[libxc?] )
+ bigdft? ( ~sci-libs/bigdft-abi-1.0.4[scalapack?] )
+ cuda? ( dev-util/nvidia-cuda-sdk )
+ etsf_io? ( >=sci-libs/etsf_io-1.0.3-r2 )
+ fftw? (
+ sci-libs/fftw:3.0
+ fftw-threads? (
+ openmp? ( sci-libs/fftw:3.0[openmp] )
+ !openmp? ( sci-libs/fftw:3.0[threads] )
+ )
+ fftw-mpi? (
+ sci-libs/fftw:3.0[mpi]
+ openmp? ( sci-libs/fftw:3.0[openmp] )
+ !openmp? ( sci-libs/fftw:3.0[threads] )
+ )
+ )
+ fox? ( >=sci-libs/fox-4.1.2-r2[sax] )
+ gsl? ( sci-libs/gsl )
+ hdf5? ( sci-libs/hdf5[fortran] )
+ levmar? ( sci-libs/levmar )
+ libxc? ( =sci-libs/libxc-2.0*[fortran] )
+ netcdf? (
+ sci-libs/netcdf[hdf5?]
+ || (
+ sci-libs/netcdf[fortran]
+ sci-libs/netcdf-fortran
+ )
+ )
+ mpi? ( virtual/mpi )
+ scalapack? ( virtual/scalapack )
+ scripts? ( dev-python/PyQt4 )
+ wannier? ( >=sci-libs/wannier90-1.2-r1 )"
+DEPEND="${RDEPEND}
+ virtual/pkgconfig
+ dev-perl/Text-Markdown"
+
+S=${WORKDIR}/${P%[a-z]}
+
+DOCS=( AUTHORS ChangeLog COPYING INSTALL KNOWN_PROBLEMS NEWS PACKAGING
+ README README.ChangeLog README.GPU README.xlf RELNOTES THANKS )
+
+FORTRAN_STANDARD=90
+
+pkg_setup() {
+ # Doesn't compile with gcc-4.0, only >=4.1
+ if [[ $(tc-getFC) == *gfortran ]]; then
+ if [[ $(gcc-major-version) -eq 4 ]] \
+ && [[ $(gcc-minor-version) -lt 1 ]]; then
+ die "Requires gcc-4.1 or newer"
+ fi
+ fi
+
+ # 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
+
+ # Preprocesor macross can make some lines really long
+ append-fflags -ffree-line-length-none
+
+ # This should be correct:
+ # It is gcc-centric because toolchain-funcs.eclass is gcc-centric.
+ # Should a bug be filed against toolchain-funcs.eclass?
+ # if use openmp; then
+ # tc-has-openmp || \
+ # die "Please select an openmp capable compiler like gcc[openmp]"
+ # fi
+ #
+ # This is completely wrong:
+ # If other compilers than Gnu Compiler Collection can be used by portage,
+ # their support of OpenMP should be properly tested. This code limits the test
+ # to gcc, and blindly supposes that other compilers do support OpenMP.
+ # if use openmp && [[ $(tc-getCC)$ == *gcc* ]] && ! tc-has-openmp; then
+ # die "Please select an openmp capable compiler like gcc[openmp]"
+ # fi
+ #
+ # Luckily Abinit is a fortran package.
+ # fortran-2.eclass has its own test for OpenMP support,
+ # more general than toolchain-funcs.eclass
+ # The test itself proceeds inside fortran-2_pkg_setup
+ if use openmp; then FORTRAN_NEED_OPENMP=1; fi
+
+ fortran-2_pkg_setup
+
+ if use openmp; then
+ # based on _fortran-has-openmp() of fortran-2.eclass
+ local code=ebuild-openmp-flags
+ local ret
+ local openmp
+
+ pushd "${T}"
+ cat <<- EOF > "${code}.c"
+ # include <omp.h>
+ main () {
+ int nthreads;
+ nthreads=omp_get_num_threads();
+ }
+ EOF
+
+ for openmp in -fopenmp -xopenmp -openmp -mp -omp -qsmp=omp; do
+ ${CC} ${openmp} "${code}.c" -o "${code}.o" &>> "${T}"/_c_compile_test.log
+ ret=$?
+ (( ${ret} )) || break
+ done
+
+ rm -f "${code}.*"
+ popd
+
+ if (( ${ret} )); then
+ die "Please switch to an openmp compatible C compiler"
+ else
+ export CC="${CC} ${openmp}"
+ export CXX="${CXX} ${openmp}"
+ fi
+
+ pushd "${T}"
+ cat <<- EOF > "${code}.f"
+ 1 call omp_get_num_threads
+ 2 end
+ EOF
+
+ for openmp in -fopenmp -xopenmp -openmp -mp -omp -qsmp=omp; do
+ ${FC} ${openmp} "${code}.f" -o "${code}.o" &>> "${T}"/_f_compile_test.log
+ ret=$?
+ (( ${ret} )) || break
+ done
+
+ rm -f "${code}.*"
+ popd
+
+ if (( ${ret} )); then
+ die "Please switch to an openmp compatible fortran compiler."
+ else
+ export FC="${FC} ${openmp}"
+ export F77="${F77} ${openmp}"
+ fi
+ fi
+
+ # Sort out some USE options
+ if use fftw-threads && ! use fftw; then
+ ewarn "fftw-threads set but fftw not used, ignored."
+ fi
+ if use fftw-mpi; then
+ if ! use fftw; then
+ ewarn "fftw-mpi set but fftw not used, ignored."
+ elif ! use mpi; then
+ ewarn "fftw-mpi set but mpi not used, ignored."
+ elif ! use fftw-threads; then
+ ewarn "fftw-mpi set but fftw-threads not. Will use a threaded fftw nevertheless, required with MPI."
+ fi
+ fi
+ if use cuda-double && ! use cuda; then
+ ewarn "cuda-double set but cuda not used, ignored"
+ fi
+
+ python-single-r1_pkg_setup
+
+}
+
+src_prepare() {
+ epatch \
+ "${FILESDIR}"/6.2.2-change-default-directories.patch \
+ "${FILESDIR}"/6.12.1-autoconf.patch \
+ "${FILESDIR}"/6.12.1-xmalloc.patch \
+ "${FILESDIR}"/7.6.3-libabinit_options.patch \
+ "${FILESDIR}"/7.4.2-levmar_diag_scaling.patch \
+ "${FILESDIR}"/7.4.2-syntax.patch \
+ "${FILESDIR}"/7.4.2-cuda_link_stdc++.patch
+ eautoreconf
+ sed -e"s/\(grep '\^-\)\(\[LloW\]\)'/\1\\\(\2\\\|pthread\\\)'/g" -i configure
+ python_fix_shebang "${S}"
+}
+
+src_configure() {
+ local modules="$(FoX-config --sax --fcflags)"
+ local FoX_libs="$(FoX-config --sax --libs)"
+
+ local trio_flavor=""
+ use etsf_io && trio_flavor="${trio_flavor}+etsf_io"
+ use fox && trio_flavor="${trio_flavor}+fox"
+ use netcdf && trio_flavor="${trio_flavor}+netcdf"
+ test "no${trio_flavor}" = "no" && trio_flavor="none"
+
+ local netcdff_libs="-lnetcdff"
+ use hdf5 && netcdff_libs="${netcdff_libs} -lhdf5_fortran"
+
+# local linalg_flavor="atlas"
+ local linalg_flavor="custom"
+ local mylapack="lapack"
+ use scalapack && mylapack="scalapack" && linalg_flavor="${linalg_flavor}+scalapack"
+
+ local dft_flavor=""
+ use atompaw && dft_flavor="${dft_flavor}+atompaw"
+ use bigdft && dft_flavor="${dft_flavor}+bigdft"
+ use libxc && dft_flavor="${dft_flavor}+libxc"
+ use wannier && dft_flavor="${dft_flavor}+wannier90"
+ test "no${dft_flavor}" = "no" && dft_flavor="none"
+
+ local fft_flavor="fftw3"
+ local fft_libs=""
+ # The fftw threads support is protected by black magick.
+ # Anybody removes it, dies.
+ # New USE flag "fftw-threads" was added to control usage
+ # of the threaded fftw variant. Since fftw-3.3 has expanded
+ # the paralel options by MPI and OpenMP support, analogical
+ # USE flags should be added to select them in future;
+ # unusable with previous FFTW versions, they are postponed
+ # for now.
+ if use mpi && use fftw-mpi; then
+ fft_flavor="fftw3-mpi"
+ fft_libs+="$($(tc-getPKG_CONFIG) --libs fftw3_mpi)"
+ fft_libs+="$($(tc-getPKG_CONFIG) --libs fftw3f_mpi)"
+ if use openmp; then
+ fft_libs+="$($(tc-getPKG_CONFIG) --libs fftw3_omp)"
+ fft_libs+="$($(tc-getPKG_CONFIG) --libs fftw3f_omp)"
+ else
+ fft_libs+="$($(tc-getPKG_CONFIG) --libs fftw3_threads)"
+ fft_libs+="$($(tc-getPKG_CONFIG) --libs fftw3f_threads)"
+ fi
+ elif use fftw-threads; then
+ fft_flavor="fftw3-threads"
+ if use openmp; then
+ fft_libs+="$($(tc-getPKG_CONFIG) --libs fftw3_omp)"
+ fft_libs+="$($(tc-getPKG_CONFIG) --libs fftw3f_omp)"
+ else
+ fft_libs+="$($(tc-getPKG_CONFIG) --libs fftw3_threads)"
+ fft_libs+="$($(tc-getPKG_CONFIG) --libs fftw3f_threads)"
+ fi
+ else
+ fft_libs+="$($(tc-getPKG_CONFIG) --libs fftw3)"
+ fft_libs+="$($(tc-getPKG_CONFIG) --libs fftw3f)"
+ fi
+
+ local gpu_flavor="none"
+ if use cuda; then
+ gpu_flavor="cuda-single"
+ if use cuda-double; then
+ gpu_flavor="cuda-double"
+ fi
+ fi
+
+ local myeconfargs=(
+ --enable-clib
+ --enable-exports
+ --enable-pkg-check
+ $(use_enable debug debug enhanced)
+ $(use_enable mpi)
+ $(use_enable mpi mpi-io)
+ $(use_enable openmp)
+ $(use_enable lotf)
+ $(use_enable cuda gpu)
+ "$(use cuda && echo "--with-gpu-flavor=${gpu_flavor}")"
+ "$(use cuda && echo "--with-gpu-prefix=/opt/cuda/")"
+ "$(use gsl && echo "--with-math-flavor=gsl")"
+ "$(use gsl && echo "--with-math-incs=$($(tc-getPKG_CONFIG) --cflags gsl)")"
+ "$(use gsl && echo "--with-math-libs=$($(tc-getPKG_CONFIG) --libs gsl)")"
+ "$(use levmar && echo "--with-algo-flavor=levmar")"
+ "$(use levmar && echo "--with-algo-libs=-llevmar")"
+ --with-linalg-flavor="${linalg_flavor}"
+ --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs "${mylapack}")"
+ --with-trio-flavor="${trio_flavor}"
+ "$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")"
+ "$(use netcdf && echo "--with-netcdf-libs=$($(tc-getPKG_CONFIG) --libs netcdf) ${netcdff_libs}")"
+ "$(use fox && echo "--with-fox-incs=${modules}")"
+ "$(use fox && echo "--with-fox-libs=${FoX_libs}")"
+ "$(use etsf_io && echo "--with-etsf-io-incs=${modules}")"
+ "$(use etsf_io && echo "--with-etsf-io-libs=-letsf_io -letsf_io_utils -letsf_io_low_level")"
+ --with-dft-flavor="${dft_flavor}"
+ "$(use atompaw && echo "--with-atompaw-incs=${modules}")"
+ "$(use atompaw && echo "--with-atompaw-libs=-latompaw")"
+ "$(use bigdft && echo "--with-bigdft-incs=${modules}")"
+ "$(use bigdft && echo "--with-bigdft-libs=$($(tc-getPKG_CONFIG) --libs bigdft)")"
+ "$(use libxc && echo "--with-libxc-incs=${modules}")"
+ "$(use libxc && echo "--with-libxc-libs=$($(tc-getPKG_CONFIG) --libs libxc)")"
+ "$(use wannier && echo "--with-wannier90-bins=/usr/bin")"
+ "$(use wannier && echo "--with-wannier90-incs=${modules}")"
+ "$(use wannier && echo "--with-wannier90-libs=-lwannier $($(tc-getPKG_CONFIG) --libs blas lapack)")"
+ "$(use fftw && echo "--with-fft-flavor=${fft_flavor}")"
+ "$(use fftw && echo "--with-fft-incs=-I/usr/include")"
+ "$(use fftw && echo "--with-fft-libs=${fft_libs}")"
+ --with-timer-flavor="abinit"
+ LD="$(tc-getLD)"
+ FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${modules} -I/usr/include"
+ )
+
+ MARKDOWN=Markdown.pl autotools-utils_src_configure
+}
+
+src_compile() {
+ autotools-utils_src_compile
+
+ # Apparently libabinit.a is not built by default
+ # Used by BigDFT. Should probably be built separately,
+ # as a package of its own: BigDFT used by Abinit.
+ # Does libabinit.a depend on BigDFT, if used?
+ # Can Abinit use external libabinit.a?
+ use libabinit && autotools-utils_src_compile libabinit.a
+
+ sed -i -e's/libatlas/lapack/' "${AUTOTOOLS_BUILD_DIR}"/config.pc
+}
+
+src_test() {
+ einfo "The complete tests take quite a while, easily several hours or even days."
+ # autotools-utils_src_test expanded and modified
+ _check_build_dir
+ pushd "${BUILD_DIR}" > /dev/null || die
+
+ einfo "Running the internal tests."
+ emake tests_in || die 'The internal tests failed.'
+
+ einfo "Running the thorough tests. Be patient, please."
+ "${S}"/tests/runtests.py || ewarn "The package has not passed the thorough tests."
+
+ popd > /dev/null || die
+}
+
+src_install() {
+ #autotools-utils_src_install() expanded
+ _check_build_dir
+ pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
+ emake DESTDIR="${D}" install || die "make install failed"
+
+ use libabinit && dolib libabinit.a
+
+ if use test; then
+ for dc in results.tar.gz results.txt suite_report.html; do
+ test -e Test_suite/"${dc}" && dodoc Test_suite/"${dc}" || ewarn "Copying tests results ${dc} failed"
+ done
+ fi
+
+ popd > /dev/null
+
+ # XXX: support installing them from builddir as well!!!
+ if [[ ${DOCS} ]]; then
+ dodoc "${DOCS[@]}" || die "dodoc failed"
+ else
+ local f
+ # same list as in PMS
+ for f in README* ChangeLog AUTHORS NEWS TODO CHANGES \
+ THANKS BUGS FAQ CREDITS CHANGELOG; do
+ if [[ -s ${f} ]]; then
+ dodoc "${f}" || die "(default) dodoc ${f} failed"
+ fi
+ done
+ fi
+ if [[ ${HTML_DOCS} ]]; then
+ dohtml -r "${HTML_DOCS[@]}" || die "dohtml failed"
+ fi
+
+ if use scripts; then
+ insinto /usr/share/"${P}"
+ doins -r scripts
+ fi
+
+ # Remove libtool files and unnecessary static libs
+ prune_libtool_files
+}
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml
index 192c6f3..eb0c4e6 100644
--- a/sci-physics/abinit/metadata.xml
+++ b/sci-physics/abinit/metadata.xml
@@ -36,7 +36,12 @@ ABINIT code, different utility programs are provided.
</use>
<use>
<flag name="fftw-threads">
- Use the threaded version of <pkg>sci-libs/fftw</pkg>
+ Use the threaded (openMP or pthreads) version of <pkg>sci-libs/fftw</pkg>
+ </flag>
+ </use>
+ <use>
+ <flag name="fftw-mpi">
+ Use the MPI version of <pkg>sci-libs/fftw</pkg> (always with either openMP or pthreads too)
</flag>
</use>
<use>
@@ -45,7 +50,7 @@ ABINIT code, different utility programs are provided.
<use>
<flag name="gui">
Build the abinit GUI (requires java);
- since 7.4.x a separate package
+ since 7.4.0 a separate package
</flag>
</use>
<use>
@@ -67,12 +72,22 @@ ABINIT code, different utility programs are provided.
<flag name="lotf">Activate the Learn on The Fly method (LOTF) for Molecular Dynamics</flag>
</use>
<use>
+ <flag name="scalapack">
+ Use ScaLAPACK, a subset of LAPACK routines redesigned for heterogenous computing
+ </flag>
+ </use>
+ <use>
<flag name="scripts">Install helper scripts, mostly Python</flag>
</use>
<use>
- <flag name="vdwxc">Activate van der Waals exchange-correlation correction</flag>
+ <flag name="vdwxc">
+ Activate van der Waals exchange-correlation correction. Since 7.4.0
+ no longer optional
+ </flag>
</use>
<use>
- <flag name="wannier">Enable support for wannier90, a maximally localized Wannier functions (MLWFs) calculator</flag>
+ <flag name="wannier">
+ Enable support for wannier90, a maximally localized Wannier functions (MLWFs) calculator
+ </flag>
</use>
</pkgmetadata>
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2013-10-03 12:52 Honza Macháček
0 siblings, 0 replies; 27+ messages in thread
From: Honza Macháček @ 2013-10-03 12:52 UTC (permalink / raw
To: gentoo-commits
commit: 14c9dc495898da9522d735e3c210f624a2702812
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Thu Oct 3 12:52:14 2013 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Thu Oct 3 12:52:14 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=14c9dc49
Call python_fix_shebang in sci-physics/abinit-7.4.2 only conditionally, if USE test (does not work without python-single-r1_pkg_setup, which is don only if USE test or scripts).
Package-Manager: portage-2.2.7
---
sci-physics/abinit/ChangeLog | 5 +++++
sci-physics/abinit/abinit-7.4.2.ebuild | 2 +-
2 files changed, 6 insertions(+), 1 deletion(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index ac91ec6..3201370 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,11 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 03 Oct 2013; Honza Macháček <Hloupy.Honza@centrum.cz> abinit-7.4.2.ebuild:
+ Call python_fix_shebang only conditionally, if USE test (does not work
+ without python-single-r1_pkg_setup, which is don only if USE test or
+ scripts).
+
26 Sep 2013; Honza Macháček <Hloupy.Honza@centrum.cz> abinit-7.4.2.ebuild:
sci-physics/abinit-7.4.2 finally made to actually build and install (tests
have to be configured for their Makefile to be where it is looked for during
diff --git a/sci-physics/abinit/abinit-7.4.2.ebuild b/sci-physics/abinit/abinit-7.4.2.ebuild
index d46593f..119f491 100644
--- a/sci-physics/abinit/abinit-7.4.2.ebuild
+++ b/sci-physics/abinit/abinit-7.4.2.ebuild
@@ -182,7 +182,7 @@ src_prepare() {
"${FILESDIR}"/7.4.2-syntax.patch
eautoreconf
sed -e"s/\(grep '\^-\)\(\[LloW\]\)'/\1\\\(\2\\\|pthread\\\)'/g" -i configure
- python_fix_shebang "${S}"/tests
+ use test && python_fix_shebang "${S}"/tests
}
src_configure() {
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2013-09-26 9:41 Honza Macháček
0 siblings, 0 replies; 27+ messages in thread
From: Honza Macháček @ 2013-09-26 9:41 UTC (permalink / raw
To: gentoo-commits
commit: 57e910123f7b13b8db2cdb6d48db0fa8e4798953
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Thu Sep 26 09:41:12 2013 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Thu Sep 26 09:41:12 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=57e91012
sci-physics/abinit-7.4.2 finally made to actually build and install (tests have to be configured for their Makefile to be where it is looked for during the installation). Testing scripts, written for Python 2, made to run in an environment with Python 3 selected as the main interpreter.
Package-Manager: portage-2.2.6
---
sci-physics/abinit/ChangeLog | 6 ++++++
sci-physics/abinit/abinit-7.4.2.ebuild | 15 ++++-----------
2 files changed, 10 insertions(+), 11 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 4cde21a..ac91ec6 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,12 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 26 Sep 2013; Honza Macháček <Hloupy.Honza@centrum.cz> abinit-7.4.2.ebuild:
+ sci-physics/abinit-7.4.2 finally made to actually build and install (tests
+ have to be configured for their Makefile to be where it is looked for during
+ the installation). Testing scripts, written for Python 2, made to run in an
+ environment with Python 3 selected as the main interpreter.
+
19 Sep 2013; Honza Macháček <Hloupy.Honza@centrum.cz> metadata.xml:
The metadata of sci-physics/abinit augmented by the description of the etsf_io
USE flag.
diff --git a/sci-physics/abinit/abinit-7.4.2.ebuild b/sci-physics/abinit/abinit-7.4.2.ebuild
index 41441a6..d46593f 100644
--- a/sci-physics/abinit/abinit-7.4.2.ebuild
+++ b/sci-physics/abinit/abinit-7.4.2.ebuild
@@ -182,6 +182,7 @@ src_prepare() {
"${FILESDIR}"/7.4.2-syntax.patch
eautoreconf
sed -e"s/\(grep '\^-\)\(\[LloW\]\)'/\1\\\(\2\\\|pthread\\\)'/g" -i configure
+ python_fix_shebang "${S}"/tests
}
src_configure() {
@@ -234,6 +235,7 @@ src_configure() {
local myeconfargs=(
--enable-clib
--enable-exports
+ --enable-pkg-check
$(use_enable debug debug enhanced)
$(use_enable mpi)
$(use_enable mpi mpi-io)
@@ -263,7 +265,7 @@ src_configure() {
"$(use bigdft && echo "--with-bigdft-incs=${modules}")"
"$(use bigdft && echo "--with-bigdft-libs=$($(tc-getPKG_CONFIG) --libs bigdft)")"
"$(use libxc && echo "--with-libxc-incs=${modules}")"
- "$(use libxc && echo "--with-libxc-libs=-lxc")"
+ "$(use libxc && echo "--with-libxc-libs=$($(tc-getPKG_CONFIG) --libs libxc)")"
"$(use wannier && echo "--with-wannier90-bins=/usr/bin")"
"$(use wannier && echo "--with-wannier90-incs=${modules}")"
"$(use wannier && echo "--with-wannier90-libs=-lwannier $($(tc-getPKG_CONFIG) --libs lapack)")"
@@ -293,17 +295,8 @@ src_compile() {
src_test() {
einfo "The tests take quite a while, easily several hours or even days"
- # autotools-utils_src_test() expanded
- _check_build_dir
- pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
- # again something the autotools-utils function cannot be called to do
- # now quite a lot of work actually
- mkdir -p tests
-
- python2 "${S}"/tests/runtests.py -w tests/ -b "${AUTOTOOLS_BUILD_DIR}"
-
- popd > /dev/null
+ autotools-utils_src_test
}
src_install() {
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2013-09-20 9:48 Justin Lecher
0 siblings, 0 replies; 27+ messages in thread
From: Justin Lecher @ 2013-09-20 9:48 UTC (permalink / raw
To: gentoo-commits
commit: 746d0be349a19c35d5a01418a6c0c2944e8d8bb6
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Thu Sep 19 18:03:40 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=746d0be3
The metadata of sci-physics/abinit augmented by the description of the etsf_io USE flag.
Package-Manager: portage-2.2.1
---
sci-physics/abinit/ChangeLog | 5 ++++-
sci-physics/abinit/metadata.xml | 5 ++++-
2 files changed, 8 insertions(+), 2 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 0e284ae..4cde21a 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,10 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 19 Sep 2013; Honza Macháček <Hloupy.Honza@centrum.cz> metadata.xml:
+ The metadata of sci-physics/abinit augmented by the description of the etsf_io
+ USE flag.
+
*abinit-7.4.2 (19 Sep 2013)
19 Sep 2013; Honza Macháček <Hloupy.Honza@centrum.cz> -abinit-7.2.2.ebuild,
@@ -213,4 +217,3 @@
An ebuild for abinit-6.4.2 using external dependencies as proper Gentoo
packages. Based on bug 249493, still work in progress. With USE="smp"
compiles, but crashes.
-
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml
index e0342c8..192c6f3 100644
--- a/sci-physics/abinit/metadata.xml
+++ b/sci-physics/abinit/metadata.xml
@@ -29,7 +29,10 @@ ABINIT code, different utility programs are provided.
</flag>
</use>
<use>
- <flag name="etsf_io">This USE needs documentation</flag>
+ <flag name="etsf_io">
+ Enable support for reading and writing the European Theoretical
+ Spectroscopy facility (ETSF) file format.
+ </flag>
</use>
<use>
<flag name="fftw-threads">
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2013-09-19 18:03 Honza Macháček
2013-09-26 9:41 ` Honza Macháček
0 siblings, 1 reply; 27+ messages in thread
From: Honza Macháček @ 2013-09-19 18:03 UTC (permalink / raw
To: gentoo-commits
commit: 15f430819d34341371be047134a22674133cb787
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Thu Sep 19 18:03:40 2013 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Thu Sep 19 18:03:40 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=15f43081
The metadata of sci-physics/abinit augmented by the description of the etsf_io USE flag.
Package-Manager: portage-2.2.1
---
sci-physics/abinit/ChangeLog | 5 ++++-
sci-physics/abinit/metadata.xml | 5 ++++-
2 files changed, 8 insertions(+), 2 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 0e284ae..4cde21a 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,10 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 19 Sep 2013; Honza Macháček <Hloupy.Honza@centrum.cz> metadata.xml:
+ The metadata of sci-physics/abinit augmented by the description of the etsf_io
+ USE flag.
+
*abinit-7.4.2 (19 Sep 2013)
19 Sep 2013; Honza Macháček <Hloupy.Honza@centrum.cz> -abinit-7.2.2.ebuild,
@@ -213,4 +217,3 @@
An ebuild for abinit-6.4.2 using external dependencies as proper Gentoo
packages. Based on bug 249493, still work in progress. With USE="smp"
compiles, but crashes.
-
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml
index e0342c8..192c6f3 100644
--- a/sci-physics/abinit/metadata.xml
+++ b/sci-physics/abinit/metadata.xml
@@ -29,7 +29,10 @@ ABINIT code, different utility programs are provided.
</flag>
</use>
<use>
- <flag name="etsf_io">This USE needs documentation</flag>
+ <flag name="etsf_io">
+ Enable support for reading and writing the European Theoretical
+ Spectroscopy facility (ETSF) file format.
+ </flag>
</use>
<use>
<flag name="fftw-threads">
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
2013-09-19 18:03 Honza Macháček
@ 2013-09-26 9:41 ` Honza Macháček
0 siblings, 0 replies; 27+ messages in thread
From: Honza Macháček @ 2013-09-26 9:41 UTC (permalink / raw
To: gentoo-commits
commit: 15f430819d34341371be047134a22674133cb787
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Thu Sep 19 18:03:40 2013 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Thu Sep 19 18:03:40 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=15f43081
The metadata of sci-physics/abinit augmented by the description of the etsf_io USE flag.
Package-Manager: portage-2.2.1
---
sci-physics/abinit/ChangeLog | 5 ++++-
sci-physics/abinit/metadata.xml | 5 ++++-
2 files changed, 8 insertions(+), 2 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 0e284ae..4cde21a 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,10 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 19 Sep 2013; Honza Macháček <Hloupy.Honza@centrum.cz> metadata.xml:
+ The metadata of sci-physics/abinit augmented by the description of the etsf_io
+ USE flag.
+
*abinit-7.4.2 (19 Sep 2013)
19 Sep 2013; Honza Macháček <Hloupy.Honza@centrum.cz> -abinit-7.2.2.ebuild,
@@ -213,4 +217,3 @@
An ebuild for abinit-6.4.2 using external dependencies as proper Gentoo
packages. Based on bug 249493, still work in progress. With USE="smp"
compiles, but crashes.
-
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml
index e0342c8..192c6f3 100644
--- a/sci-physics/abinit/metadata.xml
+++ b/sci-physics/abinit/metadata.xml
@@ -29,7 +29,10 @@ ABINIT code, different utility programs are provided.
</flag>
</use>
<use>
- <flag name="etsf_io">This USE needs documentation</flag>
+ <flag name="etsf_io">
+ Enable support for reading and writing the European Theoretical
+ Spectroscopy facility (ETSF) file format.
+ </flag>
</use>
<use>
<flag name="fftw-threads">
^ permalink raw reply related [flat|nested] 27+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2013-02-22 10:15 Justin Lecher
0 siblings, 0 replies; 27+ messages in thread
From: Justin Lecher @ 2013-02-22 10:15 UTC (permalink / raw
To: gentoo-commits
commit: 4113e02e5f96d3fc789810d2e892dd1e75eb612e
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Fri Feb 22 07:42:46 2013 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Fri Feb 22 07:42:46 2013 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=4113e02e
sci-physics/abinit: Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config; correct dep for pkgconfig to virtual; fix openmp compatibility detection
Package-Manager: portage-2.2.0_alpha163
---
sci-physics/abinit/ChangeLog | 5 ++
sci-physics/abinit/abinit-6.12.3-r2.ebuild | 22 ++++----
sci-physics/abinit/abinit-7.0.4.ebuild | 27 +++++-----
sci-physics/abinit/abinit-7.0.5.ebuild | 27 +++++-----
sci-physics/abinit/metadata.xml | 74 +++++++++++++++-------------
5 files changed, 81 insertions(+), 74 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index c5fa554..aad695b 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,11 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 22 Feb 2013; Justin Lecher <jlec@gentoo.org> abinit-6.12.3-r2.ebuild,
+ abinit-7.0.4.ebuild, abinit-7.0.5.ebuild, metadata.xml:
+ Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config;
+ correct dep for pkgconfig to virtual; fix openmp compatibility detection
+
*abinit-7.0.5 (20 Feb 2013)
20 Feb 2013; Honza Macháček <Hloupy.Honza@centrum.cz> +abinit-7.0.5.ebuild:
diff --git a/sci-physics/abinit/abinit-6.12.3-r2.ebuild b/sci-physics/abinit/abinit-6.12.3-r2.ebuild
index a5c8831..0eb2c6f 100644
--- a/sci-physics/abinit/abinit-6.12.3-r2.ebuild
+++ b/sci-physics/abinit/abinit-6.12.3-r2.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2012 Gentoo Foundation
+# Copyright 1999-2013 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
@@ -42,7 +42,7 @@ RDEPEND="~sci-libs/bigdft-1.6_pre1
python? ( dev-python/numpy )
cuda? ( dev-util/nvidia-cuda-sdk )"
DEPEND="${RDEPEND}
- dev-util/pkgconfig
+ virtual/pkgconfig
gui? ( >=virtual/jdk-1.6.0
app-arch/sharutils
sys-apps/gawk )
@@ -150,12 +150,12 @@ src_configure() {
# Until version 3.3 this used to be masked by
# .la files.
# Bug 384645
- fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads) $(pkg-config --libs fftw3)"
+ fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads) $($(tc-getPKG_CONFIG) --libs fftw3)"
else
- fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
+ fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads)"
fi
else
- fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
+ fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3)"
fi
local gpu_flavor="none"
if use cuda; then
@@ -178,13 +178,13 @@ src_configure() {
"$(use cuda && echo "--with-gpu-flavor=${gpu_flavor}")"
"$(use cuda && echo "--with-gpu-prefix=/opt/cuda/")"
"$(use gsl && echo "--with-math-flavor=gsl")"
- "$(use gsl && echo "--with-math-incs=$(pkg-config --cflags gsl)")"
- "$(use gsl && echo "--with-math-libs=$(pkg-config --libs gsl)")"
+ "$(use gsl && echo "--with-math-incs=$($(tc-getPKG_CONFIG) --cflags gsl)")"
+ "$(use gsl && echo "--with-math-libs=$($(tc-getPKG_CONFIG) --libs gsl)")"
--with-linalg-flavor="atlas"
- --with-linalg-libs="$(pkg-config --libs lapack)"
+ --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)"
--with-trio-flavor="${trio_flavor}"
"$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")"
- "$(use netcdf && echo "--with-netcdf-libs=$(pkg-config --libs netcdf) ${netcdff_libs}")"
+ "$(use netcdf && echo "--with-netcdf-libs=$($(tc-getPKG_CONFIG) --libs netcdf) ${netcdff_libs}")"
"$(use fox && echo "--with-fox-incs=${modules}")"
"$(use fox && echo "--with-fox-libs=${FoX_libs}")"
"$(use etsf_io && echo "--with-etsf-io-incs=${modules}")"
@@ -193,12 +193,12 @@ src_configure() {
--with-libxc-incs="${modules}"
--with-libxc-libs="${libs} -lxc"
--with-bigdft-incs="${modules}"
- --with-bigdft-libs="$(pkg-config --libs bigdft)"
+ --with-bigdft-libs="$($(tc-getPKG_CONFIG) --libs bigdft)"
--with-atompaw-incs="${modules}"
--with-atompaw-libs="${libs} -latompaw"
--with-wannier90-bins="/usr/bin"
--with-wannier90-incs="${modules}"
- --with-wannier90-libs="${libs} -lwannier $(pkg-config --libs lapack)"
+ --with-wannier90-libs="${libs} -lwannier $($(tc-getPKG_CONFIG) --libs lapack)"
"$(use fftw && echo "--with-fft-flavor=${fft_flavor}")"
"$(use fftw && echo "--with-fft-incs=-I/usr/include")"
"$(use fftw && echo "--with-fft-libs=${fft_libs}")"
diff --git a/sci-physics/abinit/abinit-7.0.4.ebuild b/sci-physics/abinit/abinit-7.0.4.ebuild
index a3ab9ae..3bfaa80 100644
--- a/sci-physics/abinit/abinit-7.0.4.ebuild
+++ b/sci-physics/abinit/abinit-7.0.4.ebuild
@@ -42,7 +42,7 @@ RDEPEND="~sci-libs/bigdft-1.7_pre12
python? ( dev-python/numpy )
cuda? ( dev-util/nvidia-cuda-sdk )"
DEPEND="${RDEPEND}
- dev-util/pkgconfig
+ virtual/pkgconfig
gui? ( >=virtual/jdk-1.6.0
app-arch/sharutils
sys-apps/gawk )
@@ -80,10 +80,9 @@ pkg_setup() {
append-fflags -ffree-line-length-none
fortran-2_pkg_setup
- if use openmp; then
- tc-has-openmp || \
- die "Please select an openmp capable compiler like gcc[openmp]"
- fi
+ if use openmp && [[ $(tc-getCC)$ == *gcc* ]] && ! tc-has-openmp; then
+ die "Please select an openmp capable compiler like gcc[openmp]"
+ fi
# Sort out some USE options
if use fftw-threads && ! use fftw; then
@@ -171,12 +170,12 @@ src_configure() {
# Until version 3.3 this used to be masked by
# .la files.
# Bug 384645
- fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads) $(pkg-config --libs fftw3)"
+ fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads) $($(tc-getPKG_CONFIG) --libs fftw3)"
else
- fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
+ fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads)"
fi
else
- fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
+ fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3)"
fi
local gpu_flavor="none"
if use cuda; then
@@ -199,13 +198,13 @@ src_configure() {
"$(use cuda && echo "--with-gpu-flavor=${gpu_flavor}")"
"$(use cuda && echo "--with-gpu-prefix=/opt/cuda/")"
"$(use gsl && echo "--with-math-flavor=gsl")"
- "$(use gsl && echo "--with-math-incs=$(pkg-config --cflags gsl)")"
- "$(use gsl && echo "--with-math-libs=$(pkg-config --libs gsl)")"
+ "$(use gsl && echo "--with-math-incs=$($(tc-getPKG_CONFIG) --cflags gsl)")"
+ "$(use gsl && echo "--with-math-libs=$($(tc-getPKG_CONFIG) --libs gsl)")"
--with-linalg-flavor="atlas"
- --with-linalg-libs="$(pkg-config --libs lapack)"
+ --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)"
--with-trio-flavor="${trio_flavor}"
"$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")"
- "$(use netcdf && echo "--with-netcdf-libs=$(pkg-config --libs netcdf) ${netcdff_libs}")"
+ "$(use netcdf && echo "--with-netcdf-libs=$($(tc-getPKG_CONFIG) --libs netcdf) ${netcdff_libs}")"
"$(use fox && echo "--with-fox-incs=${modules}")"
"$(use fox && echo "--with-fox-libs=${FoX_libs}")"
"$(use etsf_io && echo "--with-etsf-io-incs=${modules}")"
@@ -214,12 +213,12 @@ src_configure() {
--with-libxc-incs="${modules}"
--with-libxc-libs="${libs} -lxc"
--with-bigdft-incs="${modules}"
- --with-bigdft-libs="$(pkg-config --libs bigdft)"
+ --with-bigdft-libs="$($(tc-getPKG_CONFIG) --libs bigdft)"
--with-atompaw-incs="${modules}"
--with-atompaw-libs="${libs} -latompaw"
--with-wannier90-bins="/usr/bin"
--with-wannier90-incs="${modules}"
- --with-wannier90-libs="${libs} -lwannier $(pkg-config --libs lapack)"
+ --with-wannier90-libs="${libs} -lwannier $($(tc-getPKG_CONFIG) --libs lapack)"
"$(use fftw && echo "--with-fft-flavor=${fft_flavor}")"
"$(use fftw && echo "--with-fft-incs=-I/usr/include")"
"$(use fftw && echo "--with-fft-libs=${fft_libs}")"
diff --git a/sci-physics/abinit/abinit-7.0.5.ebuild b/sci-physics/abinit/abinit-7.0.5.ebuild
index a3ab9ae..3bfaa80 100644
--- a/sci-physics/abinit/abinit-7.0.5.ebuild
+++ b/sci-physics/abinit/abinit-7.0.5.ebuild
@@ -42,7 +42,7 @@ RDEPEND="~sci-libs/bigdft-1.7_pre12
python? ( dev-python/numpy )
cuda? ( dev-util/nvidia-cuda-sdk )"
DEPEND="${RDEPEND}
- dev-util/pkgconfig
+ virtual/pkgconfig
gui? ( >=virtual/jdk-1.6.0
app-arch/sharutils
sys-apps/gawk )
@@ -80,10 +80,9 @@ pkg_setup() {
append-fflags -ffree-line-length-none
fortran-2_pkg_setup
- if use openmp; then
- tc-has-openmp || \
- die "Please select an openmp capable compiler like gcc[openmp]"
- fi
+ if use openmp && [[ $(tc-getCC)$ == *gcc* ]] && ! tc-has-openmp; then
+ die "Please select an openmp capable compiler like gcc[openmp]"
+ fi
# Sort out some USE options
if use fftw-threads && ! use fftw; then
@@ -171,12 +170,12 @@ src_configure() {
# Until version 3.3 this used to be masked by
# .la files.
# Bug 384645
- fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads) $(pkg-config --libs fftw3)"
+ fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads) $($(tc-getPKG_CONFIG) --libs fftw3)"
else
- fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
+ fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads)"
fi
else
- fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
+ fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3)"
fi
local gpu_flavor="none"
if use cuda; then
@@ -199,13 +198,13 @@ src_configure() {
"$(use cuda && echo "--with-gpu-flavor=${gpu_flavor}")"
"$(use cuda && echo "--with-gpu-prefix=/opt/cuda/")"
"$(use gsl && echo "--with-math-flavor=gsl")"
- "$(use gsl && echo "--with-math-incs=$(pkg-config --cflags gsl)")"
- "$(use gsl && echo "--with-math-libs=$(pkg-config --libs gsl)")"
+ "$(use gsl && echo "--with-math-incs=$($(tc-getPKG_CONFIG) --cflags gsl)")"
+ "$(use gsl && echo "--with-math-libs=$($(tc-getPKG_CONFIG) --libs gsl)")"
--with-linalg-flavor="atlas"
- --with-linalg-libs="$(pkg-config --libs lapack)"
+ --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)"
--with-trio-flavor="${trio_flavor}"
"$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")"
- "$(use netcdf && echo "--with-netcdf-libs=$(pkg-config --libs netcdf) ${netcdff_libs}")"
+ "$(use netcdf && echo "--with-netcdf-libs=$($(tc-getPKG_CONFIG) --libs netcdf) ${netcdff_libs}")"
"$(use fox && echo "--with-fox-incs=${modules}")"
"$(use fox && echo "--with-fox-libs=${FoX_libs}")"
"$(use etsf_io && echo "--with-etsf-io-incs=${modules}")"
@@ -214,12 +213,12 @@ src_configure() {
--with-libxc-incs="${modules}"
--with-libxc-libs="${libs} -lxc"
--with-bigdft-incs="${modules}"
- --with-bigdft-libs="$(pkg-config --libs bigdft)"
+ --with-bigdft-libs="$($(tc-getPKG_CONFIG) --libs bigdft)"
--with-atompaw-incs="${modules}"
--with-atompaw-libs="${libs} -latompaw"
--with-wannier90-bins="/usr/bin"
--with-wannier90-incs="${modules}"
- --with-wannier90-libs="${libs} -lwannier $(pkg-config --libs lapack)"
+ --with-wannier90-libs="${libs} -lwannier $($(tc-getPKG_CONFIG) --libs lapack)"
"$(use fftw && echo "--with-fft-flavor=${fft_flavor}")"
"$(use fftw && echo "--with-fft-incs=-I/usr/include")"
"$(use fftw && echo "--with-fft-libs=${fft_libs}")"
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml
index 1498414..e8b3b1d 100644
--- a/sci-physics/abinit/metadata.xml
+++ b/sci-physics/abinit/metadata.xml
@@ -1,44 +1,48 @@
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
- <herd>sci-physics</herd>
- <longdescription lang="en">
-ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave basis. ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided.
+ <herd>sci-physics</herd>
+ <longdescription lang="en">
+ABINIT is a package whose main program allows one to find the total energy,
+charge density and electronic structure of systems made of electrons and nuclei
+(molecules and periodic solids) within Density Functional Theory (DFT), using
+pseudopotentials and a planewave basis. ABINIT also includes options to optimize
+the geometry according to the DFT forces and stresses, or to perform molecular
+dynamics simulations using these forces, or to generate dynamical matrices,
+Born effective charges, and dielectric tensors. Excited states can be computed
+within the Time-Dependent Density Functional Theory (for molecules), or within
+Many-Body Perturbation Theory (the GW approximation). In addition to the main
+ABINIT code, different utility programs are provided.
</longdescription>
- <use>
- <flag name="cuda">
- Enable support for nVidia CUDA
+ <use>
+ <flag name="cuda">Enable support for nVidia CUDA</flag>
+ </use>
+ <use>
+ <flag name="cuda-double">
+ Enable support for double precision nVidia CUDA
</flag>
- </use>
- <use>
- <flag name="cuda-double">
- Enable support for double precision nVidia CUDA
+ </use>
+ <use>
+ <flag name="etsf_io">This USE needs documentation</flag>
+ </use>
+ <use>
+ <flag name="fftw-threads">
+ Use the threaded version of <pkg>sci-libs/fftw</pkg>
</flag>
- </use>
- <use>
- <flag name="fftw-threads">
- Use the threaded version of sci-libs/fftw
- </flag>
- </use>
- <use>
- <flag name="fox">
- Enable support for FoX Fortran XML library
- </flag>
- </use>
- <use>
- <flag name="gui">
- Build the abinit GUI (requires java)
- </flag>
- </use>
- <use>
- <flag name="libabinit">
- Build the libabinit used by sci-libs/bigdft
+ </use>
+ <use>
+ <flag name="fox">Enable support for FoX Fortran XML library</flag>
+ </use>
+ <use>
+ <flag name="gui">Build the abinit GUI (requires java)</flag>
+ </use>
+ <use>
+ <flag name="libabinit">
+ Build the libabinit used by <pkg>sci-libs/bigdft</pkg>
(usage not tested yet, circular dependency not resolved)
</flag>
- </use>
- <use>
- <flag name="vdwxc">
- Activate van der Waals exchange-correlation
- </flag>
- </use>
+ </use>
+ <use>
+ <flag name="vdwxc">Activate van der Waals exchange-correlation</flag>
+ </use>
</pkgmetadata>
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2012-06-19 14:14 Honza Macháček
0 siblings, 0 replies; 27+ messages in thread
From: Honza Macháček @ 2012-06-19 14:14 UTC (permalink / raw
To: gentoo-commits
commit: fb7e00bcd0b0bb1906d0814d91c52c142f7ef885
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Tue Jun 19 13:37:44 2012 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Tue Jun 19 13:37:44 2012 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=fb7e00bc
Reflect the split of the fortran interface out of sci-libs/netcdf in sci-physics/abinit-6.12.3-r2
---
sci-physics/abinit/ChangeLog | 6 ++++++
...it-6.12.3-r1.ebuild => abinit-6.12.3-r2.ebuild} | 8 +++++---
2 files changed, 11 insertions(+), 3 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index c3f4e3d..a57ab4c 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,12 @@
# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*abinit-6.12.3-r2 (19 Jun 2012)
+
+ 19 Jun 2012; Honza Macháček <Hloupy.Honza@centrum.cz>
+ -abinit-6.12.3-r1.ebuild, +abinit-6.12.3-r2.ebuild:
+ Reflect the split of the fortran interface out of sci-libs/netcdf
+
22 May 2012; Justin Lecher <jlec@gentoo.org> abinit-6.12.3-r1.ebuild,
metadata.xml:
Add missing eutils.eclass
diff --git a/sci-physics/abinit/abinit-6.12.3-r1.ebuild b/sci-physics/abinit/abinit-6.12.3-r2.ebuild
similarity index 99%
rename from sci-physics/abinit/abinit-6.12.3-r1.ebuild
rename to sci-physics/abinit/abinit-6.12.3-r2.ebuild
index fc22ceb..a5c8831 100644
--- a/sci-physics/abinit/abinit-6.12.3-r1.ebuild
+++ b/sci-physics/abinit/abinit-6.12.3-r2.ebuild
@@ -16,15 +16,17 @@ KEYWORDS="~amd64 ~x86"
IUSE="cuda cuda-double -debug +etsf_io +fftw +fftw-threads +fox gsl gui +hdf5 libabinit mpi +netcdf python -test +threads -vdwxc"
RDEPEND="~sci-libs/bigdft-1.6_pre1
- sci-libs/etsf_io
=sci-libs/libxc-1*[fortran]
sci-physics/atompaw[libxc]
etsf_io? ( sci-libs/etsf_io )
fox? ( >=sci-libs/fox-4.1.2-r1[sax] )
netcdf? (
- sci-libs/netcdf[fortran]
+ || (
+ sci-libs/netcdf[fortran]
+ sci-libs/netcdf-fortran
+ )
hdf5? (
- sci-libs/netcdf[fortran,hdf5]
+ sci-libs/netcdf[hdf5]
)
)
hdf5? ( sci-libs/hdf5[fortran] )
^ permalink raw reply related [flat|nested] 27+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2012-05-22 19:43 Justin Lecher
0 siblings, 0 replies; 27+ messages in thread
From: Justin Lecher @ 2012-05-22 19:43 UTC (permalink / raw
To: gentoo-commits
commit: cb39dfd7ed9b4b00abfd7791c83946eb1ce6d074
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Tue May 22 19:37:32 2012 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Tue May 22 19:37:32 2012 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=cb39dfd7
sci-physics/abinit: Add missing eutils.eclass
(Portage version: 2.2.0_alpha107/git/Linux x86_64, RepoMan options: --force, unsigned Manifest commit)
---
sci-physics/abinit/ChangeLog | 8 +++++
sci-physics/abinit/abinit-6.12.3-r1.ebuild | 15 +++++----
sci-physics/abinit/metadata.xml | 46 ++++++++++++++--------------
3 files changed, 39 insertions(+), 30 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index e5089d1..c3f4e3d 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,14 @@
# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 22 May 2012; Justin Lecher <jlec@gentoo.org> abinit-6.12.3-r1.ebuild,
+ metadata.xml:
+ Add missing eutils.eclass
+
+ 22 May 2012; Justin Lecher <jlec@gentoo.org> abinit-6.12.3-r1.ebuild,
+ metadata.xml:
+ Add missing eutils.eclass
+
15 May 2012; Honza Macháček <Hloupy.Honza@centrum.cz>
abinit-6.12.3-r1.ebuild:
Allow revisions of sci-libs/bigdft-1.6_pre1.
diff --git a/sci-physics/abinit/abinit-6.12.3-r1.ebuild b/sci-physics/abinit/abinit-6.12.3-r1.ebuild
index 00dbc29..fc22ceb 100644
--- a/sci-physics/abinit/abinit-6.12.3-r1.ebuild
+++ b/sci-physics/abinit/abinit-6.12.3-r1.ebuild
@@ -2,9 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
# $Header: $
-EAPI="4"
+EAPI=4
-inherit autotools-utils flag-o-matic fortran-2 multilib toolchain-funcs
+inherit autotools-utils eutils flag-o-matic fortran-2 multilib toolchain-funcs
DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory"
HOMEPAGE="http://www.abinit.org/"
@@ -107,11 +107,12 @@ pkg_setup() {
}
src_prepare() {
- epatch "${FILESDIR}"/6.2.2-change-default-directories.patch
- epatch "${FILESDIR}"/6.0.3-fftw.patch
- epatch "${FILESDIR}"/6.12.1-autoconf.patch
- epatch "${FILESDIR}"/6.12.1-xmalloc.patch
- epatch "${FILESDIR}"/6.12.1-libabinit_options.patch
+ epatch \
+ "${FILESDIR}"/6.2.2-change-default-directories.patch \
+ "${FILESDIR}"/6.0.3-fftw.patch \
+ "${FILESDIR}"/6.12.1-autoconf.patch \
+ "${FILESDIR}"/6.12.1-xmalloc.patch \
+ "${FILESDIR}"/6.12.1-libabinit_options.patch
eautoreconf
}
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml
index 7ff0b56..1498414 100644
--- a/sci-physics/abinit/metadata.xml
+++ b/sci-physics/abinit/metadata.xml
@@ -1,44 +1,44 @@
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
-<herd>sci-physics</herd>
-<longdescription lang="en">
+ <herd>sci-physics</herd>
+ <longdescription lang="en">
ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave basis. ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided.
</longdescription>
-<use>
- <flag name="cuda">
+ <use>
+ <flag name="cuda">
Enable support for nVidia CUDA
</flag>
-</use>
-<use>
- <flag name="cuda-double">
+ </use>
+ <use>
+ <flag name="cuda-double">
Enable support for double precision nVidia CUDA
</flag>
-</use>
-<use>
- <flag name="fftw-threads">
+ </use>
+ <use>
+ <flag name="fftw-threads">
Use the threaded version of sci-libs/fftw
</flag>
-</use>
-<use>
- <flag name="fox">
+ </use>
+ <use>
+ <flag name="fox">
Enable support for FoX Fortran XML library
</flag>
-</use>
-<use>
- <flag name="gui">
+ </use>
+ <use>
+ <flag name="gui">
Build the abinit GUI (requires java)
</flag>
-</use>
-<use>
- <flag name="libabinit">
+ </use>
+ <use>
+ <flag name="libabinit">
Build the libabinit used by sci-libs/bigdft
(usage not tested yet, circular dependency not resolved)
</flag>
-</use>
-<use>
- <flag name="vdwxc">
+ </use>
+ <use>
+ <flag name="vdwxc">
Activate van der Waals exchange-correlation
</flag>
-</use>
+ </use>
</pkgmetadata>
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2012-05-15 8:27 Honza Macháček
0 siblings, 0 replies; 27+ messages in thread
From: Honza Macháček @ 2012-05-15 8:27 UTC (permalink / raw
To: gentoo-commits
commit: f8b889712b4a3c1fd16587362603b585e61cab42
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Tue May 15 08:27:29 2012 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Tue May 15 08:27:29 2012 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=f8b88971
sci-physics/abinit-6.12.3-r1 modified to accept revisions of sci-libs/bigdft-1.6_pre1
---
sci-physics/abinit/ChangeLog | 4 ++++
sci-physics/abinit/abinit-6.12.3-r1.ebuild | 2 +-
2 files changed, 5 insertions(+), 1 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index fbf4368..e5089d1 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,10 @@
# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 15 May 2012; Honza Macháček <Hloupy.Honza@centrum.cz>
+ abinit-6.12.3-r1.ebuild:
+ Allow revisions of sci-libs/bigdft-1.6_pre1.
+
*abinit-6.12.3-r1 (28 Apr 2012)
28 Apr 2012; Honza Macháček <Hloupy.Honza@centrum.cz>
diff --git a/sci-physics/abinit/abinit-6.12.3-r1.ebuild b/sci-physics/abinit/abinit-6.12.3-r1.ebuild
index 9efcd06..00dbc29 100644
--- a/sci-physics/abinit/abinit-6.12.3-r1.ebuild
+++ b/sci-physics/abinit/abinit-6.12.3-r1.ebuild
@@ -15,7 +15,7 @@ SLOT="0"
KEYWORDS="~amd64 ~x86"
IUSE="cuda cuda-double -debug +etsf_io +fftw +fftw-threads +fox gsl gui +hdf5 libabinit mpi +netcdf python -test +threads -vdwxc"
-RDEPEND="=sci-libs/bigdft-1.6_pre1
+RDEPEND="~sci-libs/bigdft-1.6_pre1
sci-libs/etsf_io
=sci-libs/libxc-1*[fortran]
sci-physics/atompaw[libxc]
^ permalink raw reply related [flat|nested] 27+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2012-03-23 8:16 Honza Macháček
0 siblings, 0 replies; 27+ messages in thread
From: Honza Macháček @ 2012-03-23 8:16 UTC (permalink / raw
To: gentoo-commits
commit: 4f0bd93b2e92df9c7a521668572e2610961b8fcc
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Fri Mar 23 08:16:21 2012 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Fri Mar 23 08:16:21 2012 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=4f0bd93b
sci-physics/abinit-6.12.1 fortran setup improvement corrected, gui preparation corrected
---
sci-physics/abinit/ChangeLog | 3 +++
sci-physics/abinit/abinit-6.12.1.ebuild | 7 +++----
2 files changed, 6 insertions(+), 4 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 7255b06..5af1279 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,9 @@
# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 23 Mar 2012; Honza Macháček <Hloupy.Honza@centrum.cz> abinit-6.12.1.ebuild:
+ Fortran setup improvement in 6.12.1 ebuild corrected, gui preparation corrected.
+
23 Mar 2012; Honza Macháček <Hloupy.Honza@centrum.cz> abinit-6.12.1.ebuild,
metadata.xml:
Metadata updated, fortran setup in 6.12.1 ebuild improved.
diff --git a/sci-physics/abinit/abinit-6.12.1.ebuild b/sci-physics/abinit/abinit-6.12.1.ebuild
index 653a6ec..59f0f98 100644
--- a/sci-physics/abinit/abinit-6.12.1.ebuild
+++ b/sci-physics/abinit/abinit-6.12.1.ebuild
@@ -4,7 +4,7 @@
EAPI="4"
-inherit autotools-utils fortran-2 multilib toolchain-funcs
+inherit autotools-utils flag-o-matic fortran-2 multilib toolchain-funcs
DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory"
HOMEPAGE="http://www.abinit.org/"
@@ -116,9 +116,8 @@ src_prepare() {
if use gui; then
epatch "${FILESDIR}"/6.12.1-gui-conf.patch
-# pushd "${S}"/gui
- pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
- "${S}"/gui/autogen.sh
+ pushd "${S}"/gui > /dev/null
+ ./autogen.sh
popd
fi
}
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2012-03-23 8:02 Honza Macháček
0 siblings, 0 replies; 27+ messages in thread
From: Honza Macháček @ 2012-03-23 8:02 UTC (permalink / raw
To: gentoo-commits
commit: 4d9e279ca65ca4c7b9cef50b676329e5d5e0a5a9
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Fri Mar 23 08:01:38 2012 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Fri Mar 23 08:01:38 2012 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=4d9e279c
sci-physics/abinit metadata updated (libabinit USE flag), sci-physics/abinit-6.12.1 fortran setup improved
---
sci-physics/abinit/ChangeLog | 4 ++++
sci-physics/abinit/abinit-6.12.1.ebuild | 20 ++++++++++++--------
sci-physics/abinit/metadata.xml | 6 ++++++
3 files changed, 22 insertions(+), 8 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 2a5c1ee..7255b06 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,10 @@
# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 23 Mar 2012; Honza Macháček <Hloupy.Honza@centrum.cz> abinit-6.12.1.ebuild,
+ metadata.xml:
+ Metadata updated, fortran setup in 6.12.1 ebuild improved.
+
*abinit-6.12.1 (22 Mar 2012)
22 Mar 2012; Honza Macháček <Hloupy.Honza@centrum.cz>
diff --git a/sci-physics/abinit/abinit-6.12.1.ebuild b/sci-physics/abinit/abinit-6.12.1.ebuild
index 00e1fa2..653a6ec 100644
--- a/sci-physics/abinit/abinit-6.12.1.ebuild
+++ b/sci-physics/abinit/abinit-6.12.1.ebuild
@@ -56,6 +56,14 @@ DOCS=( AUTHORS ChangeLog COPYING INSTALL KNOWN_PROBLEMS NEWS PACKAGING
FORTRAN_STANDARD=90
pkg_setup() {
+ # Doesn't compile with gcc-4.0, only >=4.1
+ if [[ $(tc-getFC) == *gfortran ]]; then
+ if [[ $(gcc-major-version) -eq 4 ]] \
+ && [[ $(gcc-minor-version) -lt 1 ]]; then
+ die "Requires gcc-4.1 or newer"
+ fi
+ fi
+
# fortran-2.eclass does not handle mpi wrappers
if use mpi; then
export FC="mpif90"
@@ -65,15 +73,11 @@ pkg_setup() {
else
tc-export FC F77 CC CXX
fi
- fortran-2_pkg_setup
- # Doesn't compile with gcc-4.0, only >=4.1
- if [[ $(tc-getFC) == *gfortran ]]; then
- if [[ $(gcc-major-version) -eq 4 ]] \
- && [[ $(gcc-minor-version) -lt 1 ]]; then
- die "Requires gcc-4.1 or newer"
- fi
- fi
+ # Preprocesor macross can make some lines really long
+ append-fflags -ffree-line-length-none
+
+ fortran-2_pkg_setup
# Sort out some USE options
if use fftw-threads && ! use fftw; then
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml
index 0a34647..7ff0b56 100644
--- a/sci-physics/abinit/metadata.xml
+++ b/sci-physics/abinit/metadata.xml
@@ -31,6 +31,12 @@ ABINIT is a package whose main program allows one to find the total energy, char
</flag>
</use>
<use>
+ <flag name="libabinit">
+ Build the libabinit used by sci-libs/bigdft
+ (usage not tested yet, circular dependency not resolved)
+ </flag>
+</use>
+<use>
<flag name="vdwxc">
Activate van der Waals exchange-correlation
</flag>
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2011-09-27 12:22 Honza Macháček
0 siblings, 0 replies; 27+ messages in thread
From: Honza Macháček @ 2011-09-27 12:22 UTC (permalink / raw
To: gentoo-commits
commit: 8690a1a1d24e24bdbc698cf4d585d5ef8785f64e
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Tue Sep 27 12:22:11 2011 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Tue Sep 27 12:22:11 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=8690a1a1
sci-physics/abinit bumped to 6.8.2.
---
sci-physics/abinit/ChangeLog | 7 +
sci-physics/abinit/abinit-6.8.2.ebuild | 211 ++++++++++++++++++++++++++++++++
sci-physics/abinit/metadata.xml | 5 +
3 files changed, 223 insertions(+), 0 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index fea0657..88370a1 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,13 @@
# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*abinit-6.8.2 (27 Sep 2011)
+
+ 27 Sep 2011; Honza Macháček <Hloupy.Honza@centrum.cz> +abinit-6.8.2.ebuild,
+ metadata.xml:
+ Another version bump. USE flag fftw-threads introduced, a workaround for
+ sci-libs/fftw-3.3 bug #384645 temporarily used.
+
*abinit-6.8.1 (29 Jun 2011)
29 Jun 2011; Honza Macháček <Hloupy.Honza@centrum.cz> +abinit-6.8.1.ebuild:
diff --git a/sci-physics/abinit/abinit-6.8.2.ebuild b/sci-physics/abinit/abinit-6.8.2.ebuild
new file mode 100644
index 0000000..cdd495f
--- /dev/null
+++ b/sci-physics/abinit/abinit-6.8.2.ebuild
@@ -0,0 +1,211 @@
+# Copyright 1999-2011 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI="3"
+
+inherit autotools eutils fortran-2 multilib toolchain-funcs
+
+DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory"
+HOMEPAGE="http://www.abinit.org/"
+SRC_URI="http://ftp.abinit.org/${P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda -debug +fftw +fftw-threads +fox gsl +hdf5 mpi +netcdf python -test +threads -vdwxc"
+
+RDEPEND=">=sci-libs/bigdft-1.2.0.2
+ sci-libs/etsf_io
+ =sci-libs/libxc-1.0[fortran]
+ sci-physics/atompaw[libxc]
+ fox? ( sci-libs/fox[dom,sax,wcml,wxml] )
+ netcdf? (
+ sci-libs/netcdf[fortran]
+ hdf5? (
+ sci-libs/netcdf[fortran,hdf5]
+ )
+ )
+ hdf5? ( sci-libs/hdf5[fortran] )
+ sci-libs/wannier90
+ virtual/blas
+ virtual/lapack
+ gsl? ( sci-libs/gsl )
+ fftw? (
+ sci-libs/fftw:3.0
+ fftw-threads? ( sci-libs/fftw:3.0[threads] )
+ )
+ mpi? ( virtual/mpi )
+ python? ( dev-python/numpy )
+ cuda? ( dev-util/nvidia-cuda-sdk )"
+DEPEND="${RDEPEND}
+ dev-util/pkgconfig
+ dev-perl/Text-Markdown"
+
+S=${WORKDIR}/${P%[a-z]}
+
+pkg_setup() {
+ fortran-2_pkg_setup
+ # Doesn't compile with gcc-4.0, only >=4.1
+ if [[ $(tc-getFC) == *gfortran ]]; then
+ if [[ $(gcc-major-version) -eq 4 ]] \
+ && [[ $(gcc-minor-version) -lt 1 ]]; then
+ die "Requires gcc-4.1 or newer"
+ fi
+ fi
+ if use fftw-threads && ! use fftw; then
+ ewarn "fftw-threads set but fftw not used, ignored"
+ fi
+}
+
+src_prepare() {
+ epatch "${FILESDIR}"/6.2.2-change-default-directories.patch
+ epatch "${FILESDIR}"/6.0.3-fftw.patch
+ eautoreconf
+}
+
+src_configure() {
+ local libs="-L/usr/$(get_libdir)"
+ local modules="-I/usr/$(get_libdir)/finclude"
+ local FoX_libs="${libs} -lFoX_dom -lFoX_sax -lFoX_wcml -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys"
+ local trio_flavor="etsf_io"
+ use fox && trio_flavor="${trio_flavor}+fox"
+ use netcdf && trio_flavor="${trio_flavor}+netcdf"
+ local netcdff_libs="-lnetcdff"
+ use hdf5 && netcdff_libs="${netcdff_libs} -lhdf5_fortran"
+ local fft_flavor="fftw3"
+ local fft_libs="-L/usr/lib"
+ # The fftw threads support is protected by black magick.
+ # Anybody removes it, dies.
+ # New USE flag "fftw-threads" was added to control usage
+ # of the threaded fftw variant. Since fftw-3.3 has expanded
+ # the paralel options by MPI and OpenMP support, analogical
+ # USE flags should be added to select them in future;
+ # unusable with previous FFTW versions, they are postponed
+ # for now.
+ if use fftw-threads; then
+ fft_flavor="fftw3-threads"
+ if has_version '>=sci-libs/fftw-3.3'; then
+ # pkg-config files for fftw-3.3 are broken
+ # All the parallel stuff is separated
+ # from the main body of common routines,
+ # and -lfftw3 must be always included alongside.
+ # Until version 3.3 this used to be masked by
+ # .la files.
+ # Bug 384645
+ fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads) $(pkg-config --libs fftw3)"
+ else
+ fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
+ fi
+ else
+ fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
+ fi
+ if use mpi; then
+ MY_FC="mpif90"
+ MY_CC="mpicc"
+ MY_CXX="mpic++"
+ else
+ MY_FC="$(tc-getFC)"
+ MY_CC="$(tc-getCC)"
+ MY_CXX="$(tc-getCXX)"
+ fi
+ MARKDOWN=Markdown.pl econf \
+ $(use_enable debug debug enhanced) \
+ $(use_enable mpi) \
+ $(use_enable mpi mpi-io) \
+ --disable-smp \
+ $(use_enable vdwxc) \
+ $(use_enable cuda gpu) \
+ "$(use cuda && echo "--with-gpu-flavor=cuda-single")" \
+ "$(use cuda && echo "--with-gpu-prefix=/opt/cuda/")" \
+ "$(use gsl && echo "--with-math-flavor=gsl")" \
+ "$(use gsl && echo "--with-math-incs=$(pkg-config --cflags gsl)")" \
+ "$(use gsl && echo "--with-math-libs=$(pkg-config --libs gsl)")" \
+ --with-linalg-flavor="atlas" \
+ --with-linalg-libs="$(pkg-config --libs lapack)" \
+ --with-trio-flavor="${trio_flavor}" \
+ "$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")" \
+ "$(use netcdf && echo "--with-netcdf-libs=$(pkg-config --libs netcdf) ${netcdff_libs}")" \
+ "$(use fox && echo "--with-fox-incs=${modules}")" \
+ "$(use fox && echo "--with-fox-libs=${FoX_libs}")" \
+ --with-etsf-io-incs="${modules}" \
+ --with-etsf-io-libs="${libs} -letsf_io -letsf_io_utils -letsf_io_low_level" \
+ --with-dft-flavor="libxc+bigdft+atompaw+wannier90" \
+ --with-libxc-incs="${modules}" \
+ --with-libxc-libs="${libs} -lxc" \
+ --with-bigdft-incs="${modules}" \
+ --with-bigdft-libs="${libs} -lpoissonsolver -lbigdft" \
+ --with-atompaw-incs="${modules}" \
+ --with-atompaw-libs="${libs} -latompaw" \
+ --with-wannier90-bins="/usr/bin" \
+ --with-wannier90-incs="${modules}" \
+ --with-wannier90-libs="${libs} -lwannier $(pkg-config --libs lapack)" \
+ "$(use fftw && echo "--with-fft-flavor=${fft_flavor}")" \
+ "$(use fftw && echo "--with-fft-incs=-I/usr/include")" \
+ "$(use fftw && echo "--with-fft-libs=${fft_libs}")" \
+ --with-timer-flavor="abinit" \
+ FC="${MY_FC}" \
+ CC="${MY_CC}" \
+ CXX="${MY_CXX}" \
+ LD="$(tc-getLD)" \
+ FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${modules} -I/usr/include"
+}
+
+src_compile() {
+ emake || die
+}
+
+src_test() {
+ einfo "The tests take quite a while, on the order of 1-2 hours"
+ einfo "on an Intel Penryn (2.5 GHz)."
+ cd "${S}"/tests
+ emake tests_min || ewarn "Minimal tests failed"
+ emake tests_paw || ewarn "PAW tests failed"
+ emake tests_gw || ewarn "GW tests failed"
+ emake tests_gw_paw || ewarn "GW-PAW tests failed"
+ emake tests tdft || ewarn "TDFT tests failed"
+ emake tests_bench || ewarn "Benchmarks failed"
+
+ local REPORT
+ for REPORT in $(find . -name report); do
+ REPORT=${REPORT#*/}
+ elog "Parameters and unusual results for ${REPORT%%/*} tests"
+ echo "Parameters and unusual results for ${REPORT%%/*} tests" >>tests_summary.txt
+ while read line; do
+ elog "${line}"
+ echo "${line}" >>tests_summary.txt
+ done \
+ < <(grep -v -e succeeded -e passed ${REPORT})
+ done
+
+ local testdir
+ find . -name "tmp-test*" -print | \
+ while read testdir; do
+ if [ -e summary_of_tests.tar ]; then
+ tar rvf summary_of_tests.tar ${testdir}
+ else tar cvf summary_of_tests.tar ${testdir}
+ fi
+ done
+
+ elog "The full test results will be installed as summary_of_tests.tar.bz2."
+ elog "Also a concise report tests_summary.txt is installed."
+}
+
+src_install() {
+ emake DESTDIR="${D}" install || die "make install failed"
+
+ if use test; then
+ dodoc tests/tests_summary.txt || ewarn "Copying tests summary failed"
+ dodoc tests/summary_tests.tar || ewarn "Copying tests results failed"
+ dodoc tests/summary_of_tests.tar || ewarn "Copying tests results failed"
+ fi
+
+ dodoc KNOWN_PROBLEMS README || die "Copying doc files failed"
+}
+
+pkg_postinst() {
+ if use test; then
+ elog "The full test results will be installed as summary_tests.tar.bz2."
+ elog "Also a concise report tests_summary.txt is installed."
+ fi
+}
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml
index f0b9f8d..834b78f 100644
--- a/sci-physics/abinit/metadata.xml
+++ b/sci-physics/abinit/metadata.xml
@@ -11,6 +11,11 @@ ABINIT is a package whose main program allows one to find the total energy, char
</flag>
</use>
<use>
+ <flag name="fftw-threads">
+ Use the threaded version of sci-libs/fftw
+ </flag>
+</use>
+<use>
<flag name="fox">
Enable support for FoX Fortran XML library
</flag>
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2011-06-29 15:28 Honza Macháček
0 siblings, 0 replies; 27+ messages in thread
From: Honza Macháček @ 2011-06-29 15:28 UTC (permalink / raw
To: gentoo-commits
commit: 79939872cb3e7fcc5666f22abedf59d937ea9dfe
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Wed Jun 29 15:27:45 2011 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Wed Jun 29 15:27:45 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=79939872
Yet another quick version bump, no improvement to the ebuild. Compiles well for me but has problems testing. The fault may be just in my openmpi installation but use with caution.
---
sci-physics/abinit/ChangeLog | 7 +
sci-physics/abinit/abinit-6.8.1.ebuild | 196 ++++++++++++++++++++++++++++++++
2 files changed, 203 insertions(+), 0 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 237af8e..fea0657 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,13 @@
# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*abinit-6.8.1 (29 Jun 2011)
+
+ 29 Jun 2011; Honza Macháček <Hloupy.Honza@centrum.cz> +abinit-6.8.1.ebuild:
+ Yet another quick version bump, no improvement to the ebuild. Compiles well
+ for me but has problems testing. The fault may be just in my openmpi
+ installation but use with caution.
+
29 Jun 2011; Honza Macháček <Hloupy.Honza@centrum.cz> abinit-6.6.3.ebuild:
Restored the support for threaded fftw. Works for me. NEVER DISABLE FEATURES
FOR OTHERS.
diff --git a/sci-physics/abinit/abinit-6.8.1.ebuild b/sci-physics/abinit/abinit-6.8.1.ebuild
new file mode 100644
index 0000000..3799d05
--- /dev/null
+++ b/sci-physics/abinit/abinit-6.8.1.ebuild
@@ -0,0 +1,196 @@
+# Copyright 1999-2011 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI="3"
+
+inherit autotools eutils fortran-2 multilib toolchain-funcs
+
+DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory"
+HOMEPAGE="http://www.abinit.org/"
+SRC_URI="http://ftp.abinit.org/${P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda -debug +fftw +fox gsl +hdf5 mpi +netcdf python -test +threads -vdwxc"
+
+RDEPEND=">=sci-libs/bigdft-1.2.0.2
+ sci-libs/etsf_io
+ =sci-libs/libxc-1.0[fortran]
+ sci-physics/atompaw[libxc]
+ fox? ( sci-libs/fox[dom,sax,wcml,wxml] )
+ netcdf? (
+ sci-libs/netcdf[fortran]
+ hdf5? (
+ sci-libs/netcdf[fortran,hdf5]
+ )
+ )
+ hdf5? ( sci-libs/hdf5[fortran] )
+ sci-libs/wannier90
+ virtual/blas
+ virtual/lapack
+ gsl? ( sci-libs/gsl )
+ fftw? (
+ sci-libs/fftw:3.0
+ threads? ( sci-libs/fftw:3.0[threads] )
+ )
+ mpi? ( virtual/mpi )
+ python? ( dev-python/numpy )
+ cuda? ( dev-util/nvidia-cuda-sdk )"
+DEPEND="${RDEPEND}
+ dev-util/pkgconfig
+ dev-perl/Text-Markdown"
+
+S=${WORKDIR}/${P%[a-z]}
+
+pkg_setup() {
+ fortran-2_pkg_setup
+ # Doesn't compile with gcc-4.0, only >=4.1
+ if [[ $(tc-getFC) == *gfortran ]]; then
+ if [[ $(gcc-major-version) -eq 4 ]] \
+ && [[ $(gcc-minor-version) -lt 1 ]]; then
+ die "Requires gcc-4.1 or newer"
+ fi
+ fi
+}
+
+src_prepare() {
+ epatch "${FILESDIR}"/6.2.2-change-default-directories.patch
+ epatch "${FILESDIR}"/6.0.3-fftw.patch
+ eautoreconf
+}
+
+src_configure() {
+ local libs="-L/usr/$(get_libdir)"
+ local modules="-I/usr/$(get_libdir)/finclude"
+ local FoX_libs="${libs} -lFoX_dom -lFoX_sax -lFoX_wcml -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys"
+ local trio_flavor="etsf_io"
+ use fox && trio_flavor="${trio_flavor}+fox"
+ use netcdf && trio_flavor="${trio_flavor}+netcdf"
+ local netcdff_libs="-lnetcdff"
+ use hdf5 && netcdff_libs="${netcdff_libs} -lhdf5_fortran"
+ local fft_flavor="fftw3"
+ local fft_libs="-L/usr/lib"
+ # Since now, fftw threads support is protected by black magick.
+ # Anybody removes it again, dies.
+ # If it does not work FOR YOU, disable the "threads" USE flag
+ # for the package at YOUR box. If YOU want it disabled selectively
+ # for fftw use in abinit, you may consider adding a special USE flag
+ # for that. NEVER REMOVE AN OPTION FOR OTHERS, at least if there is
+ # anybody it works for.
+ if use threads; then
+ fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
+ fft_flavor="fftw3-threads"
+ else
+ fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
+ fi
+ if use mpi; then
+ MY_FC="mpif90"
+ MY_CC="mpicc"
+ MY_CXX="mpic++"
+ else
+ MY_FC="$(tc-getFC)"
+ MY_CC="$(tc-getCC)"
+ MY_CXX="$(tc-getCXX)"
+ fi
+ MARKDOWN=Markdown.pl econf \
+ $(use_enable debug debug enhanced) \
+ $(use_enable mpi) \
+ $(use_enable mpi mpi-io) \
+ --disable-smp \
+ $(use_enable vdwxc) \
+ $(use_enable cuda gpu) \
+ "$(use cuda && echo "--with-gpu-flavor=cuda-single")" \
+ "$(use cuda && echo "--with-gpu-prefix=/opt/cuda/")" \
+ "$(use gsl && echo "--with-math-flavor=gsl")" \
+ "$(use gsl && echo "--with-math-incs=$(pkg-config --cflags gsl)")" \
+ "$(use gsl && echo "--with-math-libs=$(pkg-config --libs gsl)")" \
+ --with-linalg-flavor="atlas" \
+ --with-linalg-libs="$(pkg-config --libs lapack)" \
+ --with-trio-flavor="${trio_flavor}" \
+ "$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")" \
+ "$(use netcdf && echo "--with-netcdf-libs=$(pkg-config --libs netcdf) ${netcdff_libs}")" \
+ "$(use fox && echo "--with-fox-incs=${modules}")" \
+ "$(use fox && echo "--with-fox-libs=${FoX_libs}")" \
+ --with-etsf-io-incs="${modules}" \
+ --with-etsf-io-libs="${libs} -letsf_io -letsf_io_utils -letsf_io_low_level" \
+ --with-dft-flavor="libxc+bigdft+atompaw+wannier90" \
+ --with-libxc-incs="${modules}" \
+ --with-libxc-libs="${libs} -lxc" \
+ --with-bigdft-incs="${modules}" \
+ --with-bigdft-libs="${libs} -lpoissonsolver -lbigdft" \
+ --with-atompaw-incs="${modules}" \
+ --with-atompaw-libs="${libs} -latompaw" \
+ --with-wannier90-bins="/usr/bin" \
+ --with-wannier90-incs="${modules}" \
+ --with-wannier90-libs="${libs} -lwannier $(pkg-config --libs lapack)" \
+ "$(use fftw && echo "--with-fft-flavor=${fft_flavor}")" \
+ "$(use fftw && echo "--with-fft-incs=-I/usr/include")" \
+ "$(use fftw && echo "--with-fft-libs=${fft_libs}")" \
+ --with-timer-flavor="abinit" \
+ FC="${MY_FC}" \
+ CC="${MY_CC}" \
+ CXX="${MY_CXX}" \
+ LD="$(tc-getLD)" \
+ FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${modules} -I/usr/include"
+}
+
+src_compile() {
+ emake || die
+}
+
+src_test() {
+ einfo "The tests take quite a while, on the order of 1-2 hours"
+ einfo "on an Intel Penryn (2.5 GHz)."
+ cd "${S}"/tests
+ emake tests_min || ewarn "Minimal tests failed"
+ emake tests_paw || ewarn "PAW tests failed"
+ emake tests_gw || ewarn "GW tests failed"
+ emake tests_gw_paw || ewarn "GW-PAW tests failed"
+ emake tests tdft || ewarn "TDFT tests failed"
+ emake tests_bench || ewarn "Benchmarks failed"
+
+ local REPORT
+ for REPORT in $(find . -name report); do
+ REPORT=${REPORT#*/}
+ elog "Parameters and unusual results for ${REPORT%%/*} tests"
+ echo "Parameters and unusual results for ${REPORT%%/*} tests" >>tests_summary.txt
+ while read line; do
+ elog "${line}"
+ echo "${line}" >>tests_summary.txt
+ done \
+ < <(grep -v -e succeeded -e passed ${REPORT})
+ done
+
+ local testdir
+ find . -name "tmp-test*" -print | \
+ while read testdir; do
+ if [ -e summary_of_tests.tar ]; then
+ tar rvf summary_of_tests.tar ${testdir}
+ else tar cvf summary_of_tests.tar ${testdir}
+ fi
+ done
+
+ elog "The full test results will be installed as summary_of_tests.tar.bz2."
+ elog "Also a concise report tests_summary.txt is installed."
+}
+
+src_install() {
+ emake DESTDIR="${D}" install || die "make install failed"
+
+ if use test; then
+ dodoc tests/tests_summary.txt || ewarn "Copying tests summary failed"
+ dodoc tests/summary_tests.tar || ewarn "Copying tests results failed"
+ dodoc tests/summary_of_tests.tar || ewarn "Copying tests results failed"
+ fi
+
+ dodoc KNOWN_PROBLEMS README || die "Copying doc files failed"
+}
+
+pkg_postinst() {
+ if use test; then
+ elog "The full test results will be installed as summary_tests.tar.bz2."
+ elog "Also a concise report tests_summary.txt is installed."
+ fi
+}
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2011-06-29 11:31 Honza Macháček
0 siblings, 0 replies; 27+ messages in thread
From: Honza Macháček @ 2011-06-29 11:31 UTC (permalink / raw
To: gentoo-commits
commit: 60e43b80b7752dd0afb8ae3f3eb431ecd46118de
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Wed Jun 29 11:31:08 2011 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Wed Jun 29 11:31:08 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=60e43b80
Restored the support for threaded fftw. Works for me. NEVER DISABLE FEATURES FOR OTHERS.
---
sci-physics/abinit/ChangeLog | 4 ++++
sci-physics/abinit/abinit-6.6.3.ebuild | 21 ++++++++++++++++-----
2 files changed, 20 insertions(+), 5 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 3b8132d..237af8e 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,10 @@
# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 29 Jun 2011; Honza Macháček <Hloupy.Honza@centrum.cz> abinit-6.6.3.ebuild:
+ Restored the support for threaded fftw. Works for me. NEVER DISABLE FEATURES
+ FOR OTHERS.
+
24 Jun 2011; Justin Lecher <jlec@gentoo.org> -abinit-6.6.2.ebuild,
abinit-6.6.3.ebuild:
Dropped ~ppc as many deps aren't keyworded
diff --git a/sci-physics/abinit/abinit-6.6.3.ebuild b/sci-physics/abinit/abinit-6.6.3.ebuild
index eff92bd..3799d05 100644
--- a/sci-physics/abinit/abinit-6.6.3.ebuild
+++ b/sci-physics/abinit/abinit-6.6.3.ebuild
@@ -2,7 +2,7 @@
# Distributed under the terms of the GNU General Public License v2
# $Header: $
-EAPI=3
+EAPI="3"
inherit autotools eutils fortran-2 multilib toolchain-funcs
@@ -15,8 +15,7 @@ SLOT="0"
KEYWORDS="~amd64 ~x86"
IUSE="cuda -debug +fftw +fox gsl +hdf5 mpi +netcdf python -test +threads -vdwxc"
-RDEPEND="
- >=sci-libs/bigdft-1.2.0.2
+RDEPEND=">=sci-libs/bigdft-1.2.0.2
sci-libs/etsf_io
=sci-libs/libxc-1.0[fortran]
sci-physics/atompaw[libxc]
@@ -72,8 +71,20 @@ src_configure() {
local netcdff_libs="-lnetcdff"
use hdf5 && netcdff_libs="${netcdff_libs} -lhdf5_fortran"
local fft_flavor="fftw3"
- #fft_flavor="fftw3-threads" causes a ./configure error
- local fft_libs="-L/usr/$(get_libdir) $(pkg-config --libs fftw3)"
+ local fft_libs="-L/usr/lib"
+ # Since now, fftw threads support is protected by black magick.
+ # Anybody removes it again, dies.
+ # If it does not work FOR YOU, disable the "threads" USE flag
+ # for the package at YOUR box. If YOU want it disabled selectively
+ # for fftw use in abinit, you may consider adding a special USE flag
+ # for that. NEVER REMOVE AN OPTION FOR OTHERS, at least if there is
+ # anybody it works for.
+ if use threads; then
+ fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
+ fft_flavor="fftw3-threads"
+ else
+ fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
+ fi
if use mpi; then
MY_FC="mpif90"
MY_CC="mpicc"
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2011-06-24 17:09 Justin Lecher
0 siblings, 0 replies; 27+ messages in thread
From: Justin Lecher @ 2011-06-24 17:09 UTC (permalink / raw
To: gentoo-commits
commit: 6da872a293642e984c79869723acdbbcb71f03d6
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Fri Jun 24 17:03:33 2011 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Fri Jun 24 17:03:33 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=6da872a2
Corrected ChangeLog
(Portage version: 2.2.0_alpha41/git/Linux x86_64, signed Manifest commit with key 70EB7916)
---
sci-physics/abinit/ChangeLog | 3 ---
1 files changed, 0 insertions(+), 3 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 5e578d2..3b8132d 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,9 +2,6 @@
# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
- 24 Jun 2011; Justin Lecher <jlec@gentoo.org> abinit-6.6.3.ebuild:
- Dropped ~ppc as many deps aren't keyworded
-
24 Jun 2011; Justin Lecher <jlec@gentoo.org> -abinit-6.6.2.ebuild,
abinit-6.6.3.ebuild:
Dropped ~ppc as many deps aren't keyworded
^ permalink raw reply related [flat|nested] 27+ messages in thread
* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2011-06-24 17:09 Justin Lecher
0 siblings, 0 replies; 27+ messages in thread
From: Justin Lecher @ 2011-06-24 17:09 UTC (permalink / raw
To: gentoo-commits
commit: 3bdb922109ee098ea51b6f06cbcc916c003c0060
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Fri Jun 24 15:41:11 2011 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Fri Jun 24 15:41:11 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=3bdb9221
Dropped ~ppc as many deps aren't keyworded
(Portage version: 2.2.0_alpha41/git/Linux x86_64, signed Manifest commit with key 70EB7916)
---
sci-physics/abinit/ChangeLog | 3 +++
sci-physics/abinit/abinit-6.6.3.ebuild | 7 ++++---
2 files changed, 7 insertions(+), 3 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 3b8132d..5e578d2 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,9 @@
# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 24 Jun 2011; Justin Lecher <jlec@gentoo.org> abinit-6.6.3.ebuild:
+ Dropped ~ppc as many deps aren't keyworded
+
24 Jun 2011; Justin Lecher <jlec@gentoo.org> -abinit-6.6.2.ebuild,
abinit-6.6.3.ebuild:
Dropped ~ppc as many deps aren't keyworded
diff --git a/sci-physics/abinit/abinit-6.6.3.ebuild b/sci-physics/abinit/abinit-6.6.3.ebuild
index 503f716..eff92bd 100644
--- a/sci-physics/abinit/abinit-6.6.3.ebuild
+++ b/sci-physics/abinit/abinit-6.6.3.ebuild
@@ -12,10 +12,11 @@ SRC_URI="http://ftp.abinit.org/${P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="~amd64 ~ppc ~x86"
-IUSE="cuda -debug +fftw +fox gsl +hdf5 mpi +netcdf python +threads -test -vdwxc"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda -debug +fftw +fox gsl +hdf5 mpi +netcdf python -test +threads -vdwxc"
-RDEPEND=">=sci-libs/bigdft-1.2.0.2
+RDEPEND="
+ >=sci-libs/bigdft-1.2.0.2
sci-libs/etsf_io
=sci-libs/libxc-1.0[fortran]
sci-physics/atompaw[libxc]
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2011-06-24 17:09 Justin Lecher
0 siblings, 0 replies; 27+ messages in thread
From: Justin Lecher @ 2011-06-24 17:09 UTC (permalink / raw
To: gentoo-commits
commit: 787487944a2c764d0da3a61366cf3ea6223a5e7f
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Fri Jun 24 15:36:20 2011 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Fri Jun 24 15:36:20 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=78748794
Dropped ~ppc as many deps aren't keyworded
---
sci-physics/abinit/ChangeLog | 4 +
sci-physics/abinit/abinit-6.6.2.ebuild | 215 --------------------------------
2 files changed, 4 insertions(+), 215 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index da8aaff..3b8132d 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,10 @@
# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 24 Jun 2011; Justin Lecher <jlec@gentoo.org> -abinit-6.6.2.ebuild,
+ abinit-6.6.3.ebuild:
+ Dropped ~ppc as many deps aren't keyworded
+
21 Jun 2011; Justin Lecher <jlec@gentoo.org> abinit-6.6.2.ebuild,
abinit-6.6.3.ebuild:
Added fortran-2.eclass support
diff --git a/sci-physics/abinit/abinit-6.6.2.ebuild b/sci-physics/abinit/abinit-6.6.2.ebuild
deleted file mode 100644
index a4722a3..0000000
--- a/sci-physics/abinit/abinit-6.6.2.ebuild
+++ /dev/null
@@ -1,215 +0,0 @@
-# Copyright 1999-2011 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: $
-
-EAPI=3
-
-inherit autotools eutils fortran-2 multilib toolchain-funcs
-
-DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory"
-HOMEPAGE="http://www.abinit.org/"
-SRC_URI="http://ftp.abinit.org/${P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="cuda -debug +fftw +fox gsl +hdf5 mpi +netcdf python -smp +threads -test -vdwxc"
-
-RDEPEND="=sci-libs/bigdft-1.2.0.2
- sci-libs/etsf_io
- =sci-libs/libxc-1.0[fortran]
- sci-physics/atompaw[libxc]
- fox? ( sci-libs/fox[dom,sax,wcml,wxml] )
- netcdf? (
- sci-libs/netcdf[fortran]
- hdf5? (
- sci-libs/netcdf[fortran,hdf5]
- )
- )
- hdf5? ( sci-libs/hdf5[fortran] )
- sci-libs/wannier90
- virtual/blas
- virtual/lapack
- gsl? ( sci-libs/gsl )
- fftw? (
- sci-libs/fftw:3.0
- threads? ( sci-libs/fftw:3.0[threads] )
- )
- mpi? ( virtual/mpi )
- python? ( dev-python/numpy )
- x86? (
- cuda? ( dev-util/nvidia-cuda-sdk )
- )
- amd64? (
- cuda? ( dev-util/nvidia-cuda-sdk )
- )
- "
-
-DEPEND="${RDEPEND}
- dev-util/pkgconfig
- dev-perl/Text-Markdown"
-
-#WANT_AUTOCONF="latest"
-#WANT_AUTOMAKE="latest"
-
-S=${WORKDIR}/${P%[a-z]}
-
-pkg_setup() {
- fortran-2_pkg_setup
- # Doesn't compile with gcc-4.0, only >=4.1
- if [[ $(tc-getFC) == *gfortran ]]; then
- if [[ $(gcc-major-version) -eq 4 ]] \
- && [[ $(gcc-minor-version) -lt 1 ]]; then
- die "Requires gcc-4.1 or newer"
- fi
- fi
- if use smp; then
- ewarn "OpenMP support mostly broken. Apparently some developers \
- have used OpenMP semaphors !$ as comment delimiters. Not yet solved \
- upstream, patch incomplete."
- if use mpi && has_version sys-cluster/openmpi; then
- ewarn "Combined with openMPI, OpenMP support is especially likely to crash."
- fi
- fi
-}
-
-src_prepare() {
- epatch "${FILESDIR}"/6.2.2-change-default-directories.patch
- epatch "${FILESDIR}"/6.0.3-fftw.patch
- epatch "${FILESDIR}"/6.6.1-openmp.patch
- eautoreconf
-}
-
-src_configure() {
- local libs="-L/usr/$(get_libdir)"
- local modules="-I/usr/$(get_libdir)/finclude"
- local FoX_libs="${libs} -lFoX_dom -lFoX_sax -lFoX_wcml -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys"
- local trio_flavor="etsf_io"
- use fox && trio_flavor="${trio_flavor}+fox"
- use netcdf && trio_flavor="${trio_flavor}+netcdf"
- local netcdff_libs="-lnetcdff"
- use hdf5 && netcdff_libs="${netcdff_libs} -lhdf5_fortran"
- local fft_flavor="fftw3"
- # fft_flavor="fftw3-threads" causes error in ./confgure
- local fft_libs="/usr/$(get_libdir) $(pkg-config --libs fftw3)"
- if use mpi; then
- MY_FC="mpif90"
- MY_CC="mpicc"
- MY_CXX="mpic++"
- else
- MY_FC="$(tc-getFC)"
- MY_CC="$(tc-getCC)"
- MY_CXX="$(tc-getCXX)"
- fi
- if use smp; then
- MY_FC="${MY_FC} -fopenmp"
- MY_CC="${MY_CC} -fopenmp"
- MY_CXX="${MY_CXX} -fopenmp"
- fi
- #enable bindings for ab6 header and libraries
- # --enable-bindings
- #--with-fc-version=f90 --enable-bindings \
- local my_cuda
- if use cuda; then
- if use x86 || use amd64; then
- my_cuda="--enable-gpu --with-gpu-flavor=cuda-single --with-gpu-prefix=/opt/cuda/"
- fi
- fi
- MARKDOWN=Markdown.pl econf \
- $(use_enable debug debug enhanced) \
- $(use_enable mpi) \
- $(use_enable mpi mpi-io) \
- $(use_enable smp) \
- $(use_enable vdwxc) \
- "$(use gsl && echo "--with-math-flavor=gsl")" \
- "$(use gsl && echo "--with-math-incs=$(pkg-config --cflags gsl)")" \
- "$(use gsl && echo "--with-math-libs=$(pkg-config --libs gsl)")" \
- --with-linalg-flavor="atlas" \
- --with-linalg-libs="$(pkg-config --libs lapack)" \
- --with-trio-flavor="${trio_flavor}" \
- "$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")" \
- "$(use netcdf && echo "--with-netcdf-libs=$(pkg-config --libs netcdf) ${netcdff_libs}")" \
- "$(use fox && echo "--with-fox-incs=${modules}")" \
- "$(use fox && echo "--with-fox-libs=${FoX_libs}")" \
- --with-etsf-io-incs="${modules}" \
- --with-etsf-io-libs="${libs} -letsf_io -letsf_io_utils -letsf_io_low_level" \
- --with-dft-flavor="libxc+bigdft+atompaw+wannier90" \
- --with-libxc-incs="${modules}" \
- --with-libxc-libs="${libs} -lxc" \
- --with-bigdft-incs="${modules}" \
- --with-bigdft-libs="${libs} -lpoissonsolver -lbigdft" \
- --with-atompaw-incs="${modules}" \
- --with-atompaw-libs="${libs} -latompaw" \
- --with-wannier90-bins="/usr/bin" \
- --with-wannier90-incs="${modules}" \
- --with-wannier90-libs="${libs} -lwannier $(pkg-config --libs lapack)" \
- "$(use fftw && echo "--with-fft-flavor=${fft_flavor}")" \
- "$(use fftw && echo "--with-fft-incs=-I/usr/include")" \
- "$(use fftw && echo "--with-fft-libs=${fft_libs}")" \
- --with-timer-flavor="abinit" \
- FC="${MY_FC}" \
- CC="${MY_CC}" \
- CXX="${MY_CXX}" \
- LD="$(tc-getLD)" \
- FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${modules} -I/usr/include" \
- "${my_cuda}"
-}
-
-src_compile() {
- emake || die
-}
-
-src_test() {
- einfo "The tests take quite a while, on the order of 1-2 hours"
- einfo "on an Intel Penryn (2.5 GHz)."
- cd "${S}"/tests
- emake tests_min || ewarn "Minimal tests failed"
- emake tests_paw || ewarn "PAW tests failed"
- emake tests_gw || ewarn "GW tests failed"
- emake tests_gw_paw || ewarn "GW-PAW tests failed"
- emake tests tdft || ewarn "TDFT tests failed"
- emake tests_bench || ewarn "Benchmarks failed"
-
- local REPORT
- for REPORT in $(find . -name report); do
- REPORT=${REPORT#*/}
- elog "Parameters and unusual results for ${REPORT%%/*} tests"
- echo "Parameters and unusual results for ${REPORT%%/*} tests" >>tests_summary.txt
- while read line; do
- elog "${line}"
- echo "${line}" >>tests_summary.txt
- done \
- < <(grep -v -e succeeded -e passed ${REPORT})
- done
-
- local testdir
- find . -name "tmp-test*" -print | \
- while read testdir; do
- if [ -e summary_of_tests.tar ]; then
- tar rvf summary_of_tests.tar ${testdir}
- else tar cvf summary_of_tests.tar ${testdir}
- fi
- done
-
- elog "The full test results will be installed as summary_of_tests.tar.bz2."
- elog "Also a concise report tests_summary.txt is installed."
-}
-
-src_install() {
- emake DESTDIR="${D}" install || die "make install failed"
-
- if use test; then
- dodoc tests/tests_summary.txt || ewarn "Copying tests summary failed"
- dodoc tests/summary_tests.tar || ewarn "Copying tests results failed"
- dodoc tests/summary_of_tests.tar || ewarn "Copying tests results failed"
- fi
-
- dodoc KNOWN_PROBLEMS README || die "Copying doc files failed"
-}
-
-pkg_postinst() {
- if use test; then
- elog "The full test results will be installed as summary_tests.tar.bz2."
- elog "Also a concise report tests_summary.txt is installed."
- fi
-}
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2011-06-21 11:54 Justin Lecher
0 siblings, 0 replies; 27+ messages in thread
From: Justin Lecher @ 2011-06-21 11:54 UTC (permalink / raw
To: gentoo-commits
commit: 75cbb6eb0e8d68c5fbac4e6c45e8e9b96901efa2
Author: Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Tue Jun 21 11:16:50 2011 +0000
Commit: Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Tue Jun 21 11:16:50 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=75cbb6eb
Added fortran-2.eclass support
(Portage version: 2.2.0_alpha41/git/Linux x86_64, RepoMan options: --force, signed Manifest commit with key 70EB7916)
---
sci-physics/abinit/ChangeLog | 4 ++++
sci-physics/abinit/abinit-6.6.2.ebuild | 5 +++--
sci-physics/abinit/abinit-6.6.3.ebuild | 6 ++++--
3 files changed, 11 insertions(+), 4 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index c3d7700..da8aaff 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,10 @@
# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+ 21 Jun 2011; Justin Lecher <jlec@gentoo.org> abinit-6.6.2.ebuild,
+ abinit-6.6.3.ebuild:
+ Added fortran-2.eclass support
+
*abinit-6.6.3 (10 May 2011)
11 May 2011; Dongxu Li <dongxuli2011@gmail.com> abinit-6.6.3.ebuild abinit-6.6.2.ebuild:
diff --git a/sci-physics/abinit/abinit-6.6.2.ebuild b/sci-physics/abinit/abinit-6.6.2.ebuild
index a879cd1..a4722a3 100644
--- a/sci-physics/abinit/abinit-6.6.2.ebuild
+++ b/sci-physics/abinit/abinit-6.6.2.ebuild
@@ -2,9 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
# $Header: $
-EAPI="3"
+EAPI=3
-inherit autotools eutils multilib toolchain-funcs
+inherit autotools eutils fortran-2 multilib toolchain-funcs
DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory"
HOMEPAGE="http://www.abinit.org/"
@@ -55,6 +55,7 @@ DEPEND="${RDEPEND}
S=${WORKDIR}/${P%[a-z]}
pkg_setup() {
+ fortran-2_pkg_setup
# Doesn't compile with gcc-4.0, only >=4.1
if [[ $(tc-getFC) == *gfortran ]]; then
if [[ $(gcc-major-version) -eq 4 ]] \
diff --git a/sci-physics/abinit/abinit-6.6.3.ebuild b/sci-physics/abinit/abinit-6.6.3.ebuild
index fb8c996..503f716 100644
--- a/sci-physics/abinit/abinit-6.6.3.ebuild
+++ b/sci-physics/abinit/abinit-6.6.3.ebuild
@@ -1,9 +1,10 @@
# Copyright 1999-2011 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
+# $Header: $
-EAPI="3"
+EAPI=3
-inherit autotools eutils multilib toolchain-funcs
+inherit autotools eutils fortran-2 multilib toolchain-funcs
DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory"
HOMEPAGE="http://www.abinit.org/"
@@ -44,6 +45,7 @@ DEPEND="${RDEPEND}
S=${WORKDIR}/${P%[a-z]}
pkg_setup() {
+ fortran-2_pkg_setup
# Doesn't compile with gcc-4.0, only >=4.1
if [[ $(tc-getFC) == *gfortran ]]; then
if [[ $(gcc-major-version) -eq 4 ]] \
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2011-05-10 9:54 Honza Macháček
0 siblings, 0 replies; 27+ messages in thread
From: Honza Macháček @ 2011-05-10 9:54 UTC (permalink / raw
To: gentoo-commits
commit: f6322f41e03fc6c19af6b61477ea3ce614963da5
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Tue May 10 09:54:23 2011 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Tue May 10 09:54:23 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=f6322f41
Another quick version bump. Minor cleanup, smp removed until usable. Bizzare 6.6.2 ebuild mostly ignored, but not deleted until discussed. In the list?
---
sci-physics/abinit/ChangeLog | 6 +
sci-physics/abinit/abinit-6.6.3.ebuild | 187 ++++++++++++++++++++++++++++++++
2 files changed, 193 insertions(+), 0 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 62cefbe..2847377 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,12 @@
# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*abinit-6.6.3 (10 May 2011)
+
+ 10 May 2011; Honza Macháček <Hloupy.Honza@centrum.cz> +abinit-6.6.3.ebuild:
+ Another quick version bump. Minor cleanup, smp removed until usable. Bizzare
+ 6.6.2 ebuild mostly ignored, but not deleted until discussed. In the list?
+
*abinit-6.6.1 (07 Mar 2011)
26 Apr 2011; Dongxu Li <dongxuli2011@gmail.com> +abinit-6.6.2.ebuild +metadata.xml:
diff --git a/sci-physics/abinit/abinit-6.6.3.ebuild b/sci-physics/abinit/abinit-6.6.3.ebuild
new file mode 100644
index 0000000..4321fc1
--- /dev/null
+++ b/sci-physics/abinit/abinit-6.6.3.ebuild
@@ -0,0 +1,187 @@
+# Copyright 1999-2011 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI="3"
+
+inherit autotools eutils multilib toolchain-funcs
+
+DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory"
+HOMEPAGE="http://www.abinit.org/"
+SRC_URI="http://ftp.abinit.org/${P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~ppc ~x86"
+IUSE="cuda -debug +fftw +fox gsl +hdf5 mpi +netcdf python +threads -test -vdwxc"
+
+RDEPEND=">=sci-libs/bigdft-1.2.0.2
+ sci-libs/etsf_io
+ =sci-libs/libxc-1.0[fortran]
+ sci-physics/atompaw[libxc]
+ fox? ( sci-libs/fox[dom,sax,wcml,wxml] )
+ netcdf? (
+ sci-libs/netcdf[fortran]
+ hdf5? (
+ sci-libs/netcdf[fortran,hdf5]
+ )
+ )
+ hdf5? ( sci-libs/hdf5[fortran] )
+ sci-libs/wannier90
+ virtual/blas
+ virtual/lapack
+ gsl? ( sci-libs/gsl )
+ fftw? (
+ sci-libs/fftw:3.0
+ threads? ( sci-libs/fftw:3.0[threads] )
+ )
+ mpi? ( virtual/mpi )
+ python? ( dev-python/numpy )
+ cuda? ( dev-util/nvidia-cuda-sdk )"
+DEPEND="${RDEPEND}
+ dev-util/pkgconfig
+ dev-perl/Text-Markdown"
+
+S=${WORKDIR}/${P%[a-z]}
+
+pkg_setup() {
+ # Doesn't compile with gcc-4.0, only >=4.1
+ if [[ $(tc-getFC) == *gfortran ]]; then
+ if [[ $(gcc-major-version) -eq 4 ]] \
+ && [[ $(gcc-minor-version) -lt 1 ]]; then
+ die "Requires gcc-4.1 or newer"
+ fi
+ fi
+}
+
+src_prepare() {
+ epatch "${FILESDIR}"/6.2.2-change-default-directories.patch
+ epatch "${FILESDIR}"/6.0.3-fftw.patch
+ eautoreconf
+}
+
+src_configure() {
+ local libs="-L/usr/$(get_libdir)"
+ local modules="-I/usr/$(get_libdir)/finclude"
+ local FoX_libs="${libs} -lFoX_dom -lFoX_sax -lFoX_wcml -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys"
+ local trio_flavor="etsf_io"
+ use fox && trio_flavor="${trio_flavor}+fox"
+ use netcdf && trio_flavor="${trio_flavor}+netcdf"
+ local netcdff_libs="-lnetcdff"
+ use hdf5 && netcdff_libs="${netcdff_libs} -lhdf5_fortran"
+ local fft_flavor="fftw3"
+ local fft_libs="-L/usr/lib"
+ if use threads; then
+ fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
+ fft_flavor="fftw3-threads"
+ else
+ fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
+ fi
+ if use mpi; then
+ MY_FC="mpif90"
+ MY_CC="mpicc"
+ MY_CXX="mpic++"
+ else
+ MY_FC="$(tc-getFC)"
+ MY_CC="$(tc-getCC)"
+ MY_CXX="$(tc-getCXX)"
+ fi
+ MARKDOWN=Markdown.pl econf \
+ $(use_enable debug debug enhanced) \
+ $(use_enable mpi) \
+ $(use_enable mpi mpi-io) \
+ --disable-smp \
+ $(use_enable vdwxc) \
+ $(use_enable cuda gpu) \
+ "$(use cuda && echo "--with-gpu-flavor=cuda-single")" \
+ "$(use cuda && echo "--with-gpu-prefix=/opt/cuda/")" \
+ "$(use gsl && echo "--with-math-flavor=gsl")" \
+ "$(use gsl && echo "--with-math-incs=$(pkg-config --cflags gsl)")" \
+ "$(use gsl && echo "--with-math-libs=$(pkg-config --libs gsl)")" \
+ --with-linalg-flavor="atlas" \
+ --with-linalg-libs="$(pkg-config --libs lapack)" \
+ --with-trio-flavor="${trio_flavor}" \
+ "$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")" \
+ "$(use netcdf && echo "--with-netcdf-libs=$(pkg-config --libs netcdf) ${netcdff_libs}")" \
+ "$(use fox && echo "--with-fox-incs=${modules}")" \
+ "$(use fox && echo "--with-fox-libs=${FoX_libs}")" \
+ --with-etsf-io-incs="${modules}" \
+ --with-etsf-io-libs="${libs} -letsf_io -letsf_io_utils -letsf_io_low_level" \
+ --with-dft-flavor="libxc+bigdft+atompaw+wannier90" \
+ --with-libxc-incs="${modules}" \
+ --with-libxc-libs="${libs} -lxc" \
+ --with-bigdft-incs="${modules}" \
+ --with-bigdft-libs="${libs} -lpoissonsolver -lbigdft" \
+ --with-atompaw-incs="${modules}" \
+ --with-atompaw-libs="${libs} -latompaw" \
+ --with-wannier90-bins="/usr/bin" \
+ --with-wannier90-incs="${modules}" \
+ --with-wannier90-libs="${libs} -lwannier $(pkg-config --libs lapack)" \
+ "$(use fftw && echo "--with-fft-flavor=${fft_flavor}")" \
+ "$(use fftw && echo "--with-fft-incs=-I/usr/include")" \
+ "$(use fftw && echo "--with-fft-libs=${fft_libs}")" \
+ --with-timer-flavor="abinit" \
+ FC="${MY_FC}" \
+ CC="${MY_CC}" \
+ CXX="${MY_CXX}" \
+ LD="$(tc-getLD)" \
+ FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${modules} -I/usr/include"
+}
+
+src_compile() {
+ emake || die
+}
+
+src_test() {
+ einfo "The tests take quite a while, on the order of 1-2 hours"
+ einfo "on an Intel Penryn (2.5 GHz)."
+ cd "${S}"/tests
+ emake tests_min || ewarn "Minimal tests failed"
+ emake tests_paw || ewarn "PAW tests failed"
+ emake tests_gw || ewarn "GW tests failed"
+ emake tests_gw_paw || ewarn "GW-PAW tests failed"
+ emake tests tdft || ewarn "TDFT tests failed"
+ emake tests_bench || ewarn "Benchmarks failed"
+
+ local REPORT
+ for REPORT in $(find . -name report); do
+ REPORT=${REPORT#*/}
+ elog "Parameters and unusual results for ${REPORT%%/*} tests"
+ echo "Parameters and unusual results for ${REPORT%%/*} tests" >>tests_summary.txt
+ while read line; do
+ elog "${line}"
+ echo "${line}" >>tests_summary.txt
+ done \
+ < <(grep -v -e succeeded -e passed ${REPORT})
+ done
+
+ local testdir
+ find . -name "tmp-test*" -print | \
+ while read testdir; do
+ if [ -e summary_of_tests.tar ]; then
+ tar rvf summary_of_tests.tar ${testdir}
+ else tar cvf summary_of_tests.tar ${testdir}
+ fi
+ done
+
+ elog "The full test results will be installed as summary_of_tests.tar.bz2."
+ elog "Also a concise report tests_summary.txt is installed."
+}
+
+src_install() {
+ emake DESTDIR="${D}" install || die "make install failed"
+
+ if use test; then
+ dodoc tests/tests_summary.txt || ewarn "Copying tests summary failed"
+ dodoc tests/summary_tests.tar || ewarn "Copying tests results failed"
+ dodoc tests/summary_of_tests.tar || ewarn "Copying tests results failed"
+ fi
+
+ dodoc KNOWN_PROBLEMS README || die "Copying doc files failed"
+}
+
+pkg_postinst() {
+ if use test; then
+ elog "The full test results will be installed as summary_tests.tar.bz2."
+ elog "Also a concise report tests_summary.txt is installed."
+ fi
+}
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2011-04-26 18:39 Dongxu Li
0 siblings, 0 replies; 27+ messages in thread
From: Dongxu Li @ 2011-04-26 18:39 UTC (permalink / raw
To: gentoo-commits
commit: f55378a9416f3bf62066e40e484e44f45407a300
Author: Dongxu Li <dongxuli2011 <AT> gmail <DOT> com>
AuthorDate: Tue Apr 26 18:38:21 2011 +0000
Commit: Dongxu Li <dongxuli2011 <AT> gmail <DOT> com>
CommitDate: Tue Apr 26 18:38:21 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=f55378a9
sci-physics/abinit: version bump to 6.6.2
---
sci-physics/abinit/ChangeLog | 3 +
sci-physics/abinit/abinit-6.6.2.ebuild | 221 ++++++++++++++++++++++++++++++++
sci-physics/abinit/metadata.xml | 23 ++++
3 files changed, 247 insertions(+), 0 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 78e3079..62cefbe 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -4,6 +4,9 @@
*abinit-6.6.1 (07 Mar 2011)
+ 26 Apr 2011; Dongxu Li <dongxuli2011@gmail.com> +abinit-6.6.2.ebuild +metadata.xml:
+ Version bump to 6.6.2. Cleaned up old versions for numerous quality control issues.
+
09 Apr 2011; Dongxu Li <dongxuli2011@gmail.com>
abinit-6.6.1.ebuild:
Simple fix of a building issue due to FFTW. Disabled fftw-threads.
diff --git a/sci-physics/abinit/abinit-6.6.2.ebuild b/sci-physics/abinit/abinit-6.6.2.ebuild
new file mode 100644
index 0000000..12fab38
--- /dev/null
+++ b/sci-physics/abinit/abinit-6.6.2.ebuild
@@ -0,0 +1,221 @@
+# Copyright 1999-2011 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI="3"
+
+inherit autotools eutils multilib toolchain-funcs
+
+DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory"
+HOMEPAGE="http://www.abinit.org/"
+SRC_URI="http://ftp.abinit.org/${P}.tar.gz"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda -debug +fftw +fox gsl +hdf5 mpi +netcdf python -smp +threads -test -vdwxc"
+
+RDEPEND="=sci-libs/bigdft-1.2.0.2
+ sci-libs/etsf_io
+ =sci-libs/libxc-1.0[fortran]
+ sci-physics/atompaw[libxc]
+ fox? ( sci-libs/fox[dom,sax,wcml,wxml] )
+ netcdf? (
+ sci-libs/netcdf[fortran]
+ hdf5? (
+ sci-libs/netcdf[fortran,hdf5]
+ )
+ )
+ hdf5? ( sci-libs/hdf5[fortran] )
+ sci-libs/wannier90
+ virtual/blas
+ virtual/lapack
+ gsl? ( sci-libs/gsl )
+ fftw? (
+ sci-libs/fftw:3.0
+ threads? ( sci-libs/fftw:3.0[threads] )
+ )
+ mpi? ( virtual/mpi )
+ python? ( dev-python/numpy )
+ x86? (
+ cuda? ( dev-util/nvidia-cuda-sdk )
+ )
+ amd64? (
+ cuda? ( dev-util/nvidia-cuda-sdk )
+ )
+ "
+
+DEPEND="${RDEPEND}
+ dev-util/pkgconfig
+ dev-perl/Text-Markdown"
+
+#WANT_AUTOCONF="latest"
+#WANT_AUTOMAKE="latest"
+
+S=${WORKDIR}/${P%[a-z]}
+
+pkg_setup() {
+ # Doesn't compile with gcc-4.0, only >=4.1
+ if [[ $(tc-getFC) == *gfortran ]]; then
+ if [[ $(gcc-major-version) -eq 4 ]] \
+ && [[ $(gcc-minor-version) -lt 1 ]]; then
+ die "Requires gcc-4.1 or newer"
+ fi
+ fi
+ if use smp; then
+ ewarn "OpenMP support mostly broken. Apparently some developers \
+ have used OpenMP semaphors !$ as comment delimiters. Not yet solved \
+ upstream, patch incomplete."
+ if use mpi && has_version sys-cluster/openmpi; then
+ ewarn "Combined with openMPI, OpenMP support is especially likely to crash."
+ fi
+ fi
+}
+
+src_prepare() {
+ epatch "${FILESDIR}"/6.2.2-change-default-directories.patch
+ epatch "${FILESDIR}"/6.0.3-fftw.patch
+ epatch "${FILESDIR}"/6.6.1-openmp.patch
+ eautoreconf
+}
+
+src_configure() {
+ local libs="-L/usr/$(get_libdir)"
+ local modules="-I/usr/$(get_libdir)/finclude"
+ local FoX_libs="${libs} -lFoX_dom -lFoX_sax -lFoX_wcml -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys"
+ local trio_flavor="etsf_io"
+ use fox && trio_flavor="${trio_flavor}+fox"
+ use netcdf && trio_flavor="${trio_flavor}+netcdf"
+ local netcdff_libs="-lnetcdff"
+ use hdf5 && netcdff_libs="${netcdff_libs} -lhdf5_fortran"
+ local fft_flavor="fftw3"
+ local fft_libs="-lfftw3"
+ fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
+ #fft_flavor="fftw3-threads" doesn't build for me
+ #if use threads; then
+ # fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
+ # fft_flavor="fftw3-threads"
+ #else
+ # fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
+ #fi
+ if use mpi; then
+ MY_FC="mpif90"
+ MY_CC="mpicc"
+ MY_CXX="mpic++"
+ else
+ MY_FC="$(tc-getFC)"
+ MY_CC="$(tc-getCC)"
+ MY_CXX="$(tc-getCXX)"
+ fi
+ if use smp; then
+ MY_FC="${MY_FC} -fopenmp"
+ MY_CC="${MY_CC} -fopenmp"
+ MY_CXX="${MY_CXX} -fopenmp"
+ fi
+ #enable bindings for ab6 header and libraries
+ # --enable-bindings
+ #--with-fc-version=f90 --enable-bindings \
+ local my_cuda
+ if use cuda; then
+ if use x86 || use amd64; then
+ my_cuda="--enable-gpu --with-gpu-flavor=cuda-single --with-gpu-prefix=/opt/cuda/"
+ fi
+ fi
+ MARKDOWN=Markdown.pl econf \
+ $(use_enable debug debug enhanced) \
+ $(use_enable mpi) \
+ $(use_enable mpi mpi-io) \
+ $(use_enable smp) \
+ $(use_enable vdwxc) \
+ "$(use gsl && echo "--with-math-flavor=gsl")" \
+ "$(use gsl && echo "--with-math-incs=$(pkg-config --cflags gsl)")" \
+ "$(use gsl && echo "--with-math-libs=$(pkg-config --libs gsl)")" \
+ --with-linalg-flavor="atlas" \
+ --with-linalg-libs="$(pkg-config --libs lapack)" \
+ --with-trio-flavor="${trio_flavor}" \
+ "$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")" \
+ "$(use netcdf && echo "--with-netcdf-libs=$(pkg-config --libs netcdf) ${netcdff_libs}")" \
+ "$(use fox && echo "--with-fox-incs=${modules}")" \
+ "$(use fox && echo "--with-fox-libs=${FoX_libs}")" \
+ --with-etsf-io-incs="${modules}" \
+ --with-etsf-io-libs="${libs} -letsf_io -letsf_io_utils -letsf_io_low_level" \
+ --with-dft-flavor="libxc+bigdft+atompaw+wannier90" \
+ --with-libxc-incs="${modules}" \
+ --with-libxc-libs="${libs} -lxc" \
+ --with-bigdft-incs="${modules}" \
+ --with-bigdft-libs="${libs} -lpoissonsolver -lbigdft" \
+ --with-atompaw-incs="${modules}" \
+ --with-atompaw-libs="${libs} -latompaw" \
+ --with-wannier90-bins="/usr/bin" \
+ --with-wannier90-incs="${modules}" \
+ --with-wannier90-libs="${libs} -lwannier $(pkg-config --libs lapack)" \
+ "$(use fftw && echo "--with-fft-flavor=${fft_flavor}")" \
+ "$(use fftw && echo "--with-fft-incs=-I/usr/include")" \
+ "$(use fftw && echo "--with-fft-libs=${fft_libs}")" \
+ --with-timer-flavor="abinit" \
+ FC="${MY_FC}" \
+ CC="${MY_CC}" \
+ CXX="${MY_CXX}" \
+ LD="$(tc-getLD)" \
+ FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${modules} -I/usr/include" \
+ "${my_cuda}"
+}
+
+src_compile() {
+ emake || die
+}
+
+src_test() {
+ einfo "The tests take quite a while, on the order of 1-2 hours"
+ einfo "on an Intel Penryn (2.5 GHz)."
+ cd "${S}"/tests
+ emake tests_min || ewarn "Minimal tests failed"
+ emake tests_paw || ewarn "PAW tests failed"
+ emake tests_gw || ewarn "GW tests failed"
+ emake tests_gw_paw || ewarn "GW-PAW tests failed"
+ emake tests tdft || ewarn "TDFT tests failed"
+ emake tests_bench || ewarn "Benchmarks failed"
+
+ local REPORT
+ for REPORT in $(find . -name report); do
+ REPORT=${REPORT#*/}
+ elog "Parameters and unusual results for ${REPORT%%/*} tests"
+ echo "Parameters and unusual results for ${REPORT%%/*} tests" >>tests_summary.txt
+ while read line; do
+ elog "${line}"
+ echo "${line}" >>tests_summary.txt
+ done \
+ < <(grep -v -e succeeded -e passed ${REPORT})
+ done
+
+ local testdir
+ find . -name "tmp-test*" -print | \
+ while read testdir; do
+ if [ -e summary_of_tests.tar ]; then
+ tar rvf summary_of_tests.tar ${testdir}
+ else tar cvf summary_of_tests.tar ${testdir}
+ fi
+ done
+
+ elog "The full test results will be installed as summary_of_tests.tar.bz2."
+ elog "Also a concise report tests_summary.txt is installed."
+}
+
+src_install() {
+ emake DESTDIR="${D}" install || die "make install failed"
+
+ if use test; then
+ dodoc tests/tests_summary.txt || ewarn "Copying tests summary failed"
+ dodoc tests/summary_tests.tar || ewarn "Copying tests results failed"
+ dodoc tests/summary_of_tests.tar || ewarn "Copying tests results failed"
+ fi
+
+ dodoc KNOWN_PROBLEMS README || die "Copying doc files failed"
+}
+
+pkg_postinst() {
+ if use test; then
+ elog "The full test results will be installed as summary_tests.tar.bz2."
+ elog "Also a concise report tests_summary.txt is installed."
+ fi
+}
diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml
new file mode 100644
index 0000000..f0b9f8d
--- /dev/null
+++ b/sci-physics/abinit/metadata.xml
@@ -0,0 +1,23 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+<herd>sci</herd>
+<longdescription lang="en">
+ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave basis. ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided.
+</longdescription>
+<use>
+ <flag name="cuda">
+ Enable support for nVidia CUDA
+ </flag>
+</use>
+<use>
+ <flag name="fox">
+ Enable support for FoX Fortran XML library
+ </flag>
+</use>
+<use>
+ <flag name="vdwxc">
+ Activate van der Waals exchange-correlation
+ </flag>
+</use>
+</pkgmetadata>
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2011-04-09 21:11 Dongxu Li
0 siblings, 0 replies; 27+ messages in thread
From: Dongxu Li @ 2011-04-09 21:11 UTC (permalink / raw
To: gentoo-commits
commit: c5cdb614348924e4d46ee07956712c1c8979c7b2
Author: Dongxu Li <dongxuli2011 <AT> gmail <DOT> com>
AuthorDate: Sat Apr 9 17:08:03 2011 +0000
Commit: Dongxu Li <dongxuli2011 <AT> gmail <DOT> com>
CommitDate: Sat Apr 9 17:08:03 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=c5cdb614
Fix FFTW3 lib path on amd64. Need more work to get C/Fortran bindings
---
sci-physics/abinit/ChangeLog | 4 ++++
sci-physics/abinit/abinit-6.6.1.ebuild | 17 +++++++++++------
2 files changed, 15 insertions(+), 6 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 8ba0cc1..78e3079 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -4,6 +4,10 @@
*abinit-6.6.1 (07 Mar 2011)
+ 09 Apr 2011; Dongxu Li <dongxuli2011@gmail.com>
+ abinit-6.6.1.ebuild:
+ Simple fix of a building issue due to FFTW. Disabled fftw-threads.
+
07 Mar 2011; Honza Macháček <Hloupy.Honza@centrum.cz>
+files/6.6.1-openmp.patch, +abinit-6.6.1.ebuild:
A quick bump to sci-physics/abinit-6.6.1. Some cleanup, some mess. Switched
diff --git a/sci-physics/abinit/abinit-6.6.1.ebuild b/sci-physics/abinit/abinit-6.6.1.ebuild
index 5fa9ce4..ed5651f 100644
--- a/sci-physics/abinit/abinit-6.6.1.ebuild
+++ b/sci-physics/abinit/abinit-6.6.1.ebuild
@@ -81,13 +81,15 @@ src_configure() {
local netcdff_libs="-lnetcdff"
use hdf5 && netcdff_libs="${netcdff_libs} -lhdf5_fortran"
local fft_flavor="fftw3"
- local fft_libs="-L/usr/lib"
- if use threads; then
- fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
- fft_flavor="fftw3-threads"
- else
+ local fft_libs="-lfftw3"
fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
- fi
+ #fft_flavor="fftw3-threads" doesn't build for me
+ #if use threads; then
+ # fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)"
+ # fft_flavor="fftw3-threads"
+ #else
+ # fft_libs="${fft_libs} $(pkg-config --libs fftw3)"
+ #fi
if use mpi; then
MY_FC="mpif90"
MY_CC="mpicc"
@@ -102,6 +104,9 @@ src_configure() {
MY_CC="${MY_CC} -fopenmp"
MY_CXX="${MY_CXX} -fopenmp"
fi
+ #enable bindings for ab6 header and libraries
+ # --enable-bindings
+ #--with-fc-version=f90 --enable-bindings \
MARKDOWN=Markdown.pl econf \
$(use_enable debug debug enhanced) \
$(use_enable mpi) \
^ permalink raw reply related [flat|nested] 27+ messages in thread* [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/
@ 2011-02-05 19:22 Honza Macháček
0 siblings, 0 replies; 27+ messages in thread
From: Honza Macháček @ 2011-02-05 19:22 UTC (permalink / raw
To: gentoo-commits
commit: 728695abd8b31a2c57bcfe43d10fb2ab9293acee
Author: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
AuthorDate: Sat Feb 5 19:21:51 2011 +0000
Commit: Honza Macháček <Hloupy.Honza <AT> centrum <DOT> cz>
CommitDate: Sat Feb 5 19:21:51 2011 +0000
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=728695ab
A simple version bump. An unsolved problem with fortran flags when USE="+netcdf -mpi" circumvented. Minor changes to reports and logs when testing
---
sci-physics/abinit/ChangeLog | 8 ++++++
sci-physics/abinit/abinit-6.4.2.ebuild | 2 +-
.../{abinit-6.4.2.ebuild => abinit-6.4.3.ebuild} | 25 ++++++++++---------
3 files changed, 22 insertions(+), 13 deletions(-)
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index dd05ff4..94ea184 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,14 @@
# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*abinit-6.4.3 (05 Feb 2011)
+
+ 05 Feb 2011; Honza Macháček <Hloupy.Honza@centrum.cz> abinit-6.4.2.ebuild,
+ +abinit-6.4.3.ebuild:
+ A simple version bump. An unsolved problem with fortran flags when
+ USE="+netcdf -mpi" circumvented. Minor changes to reports and logs when
+ testing
+
20 Jan 2011; Honza Macháček <Hloupy.Honza@centrum.cz> abinit-6.4.2.ebuild:
The typo of getFC corrected to . By Jérôme Borme <jerome.borme@gmail.com>
diff --git a/sci-physics/abinit/abinit-6.4.2.ebuild b/sci-physics/abinit/abinit-6.4.2.ebuild
index fe85154..ac9a31e 100644
--- a/sci-physics/abinit/abinit-6.4.2.ebuild
+++ b/sci-physics/abinit/abinit-6.4.2.ebuild
@@ -151,7 +151,7 @@ src_configure() {
CC="${MY_CC}" \
CXX="${MY_CXX}" \
LD="$(tc-getLD)" \
- FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${modules}"
+ FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${modules} -I/usr/include"
}
src_compile() {
diff --git a/sci-physics/abinit/abinit-6.4.2.ebuild b/sci-physics/abinit/abinit-6.4.3.ebuild
similarity index 90%
copy from sci-physics/abinit/abinit-6.4.2.ebuild
copy to sci-physics/abinit/abinit-6.4.3.ebuild
index fe85154..7090336 100644
--- a/sci-physics/abinit/abinit-6.4.2.ebuild
+++ b/sci-physics/abinit/abinit-6.4.3.ebuild
@@ -151,7 +151,7 @@ src_configure() {
CC="${MY_CC}" \
CXX="${MY_CXX}" \
LD="$(tc-getLD)" \
- FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${modules}"
+ FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${modules} -I/usr/include"
}
src_compile() {
@@ -166,12 +166,12 @@ src_test() {
einfo "The tests take quite a while, on the order of 1-2 hours"
einfo "on an Intel Penryn (2.5 GHz)."
cd "${S}"/tests
- emake tests_min
- emake tests_paw
- emake tests_gw
- emake tests_gw_paw
- emake tests tdft
- emake tests_bench
+ emake tests_min || ewarn "Minimal tests failed"
+ emake tests_paw || ewarn "PAW tests failed"
+ emake tests_gw || ewarn "GW tests failed"
+ emake tests_gw_paw || ewarn "GW-PAW tests failed"
+ emake tests tdft || ewarn "TDFT tests failed"
+ emake tests_bench || ewarn "Benchmarks failed"
local REPORT
for REPORT in $(find . -name report); do
@@ -186,15 +186,15 @@ src_test() {
done
local testdir
- find . -name ",,test*" -print | \
+ find . -name "tmp-test*" -print | \
while read testdir; do
- if [ -e summary_tests.tar ]; then
- tar rvf summary_tests.tar ${testdir}
- else tar cvf summary_tests.tar ${testdir}
+ if [ -e summary_of_tests.tar ]; then
+ tar rvf summary_of_tests.tar ${testdir}
+ else tar cvf summary_of_tests.tar ${testdir}
fi
done
- elog "The full test results will be installed as summary_tests.tar.bz2."
+ elog "The full test results will be installed as summary_of_tests.tar.bz2."
elog "Also a concise report tests_summary.txt is installed."
}
@@ -204,6 +204,7 @@ src_install() {
if use test; then
dodoc tests/tests_summary.txt || ewarn "Copying tests summary failed"
dodoc tests/summary_tests.tar || ewarn "Copying tests results failed"
+ dodoc tests/summary_of_tests.tar || ewarn "Copying tests results failed"
fi
dodoc KNOWN_PROBLEMS README || die "Copying doc files failed"
^ permalink raw reply related [flat|nested] 27+ messages in thread
end of thread, other threads:[~2015-09-23 12:48 UTC | newest]
Thread overview: 27+ messages (download: mbox.gz follow: Atom feed
-- links below jump to the message on this page --
2011-05-11 17:05 [gentoo-commits] proj/sci:master commit in: sci-physics/abinit/ Dongxu Li
-- strict thread matches above, loose matches on Subject: below --
2015-09-23 12:48 Justin Lecher
2015-02-08 21:07 Christoph Junghans
2014-09-17 20:01 Christoph Junghans
2014-06-27 13:54 Honza Macháček
2013-10-03 12:52 Honza Macháček
2013-09-26 9:41 Honza Macháček
2013-09-20 9:48 Justin Lecher
2013-09-19 18:03 Honza Macháček
2013-09-26 9:41 ` Honza Macháček
2013-02-22 10:15 Justin Lecher
2012-06-19 14:14 Honza Macháček
2012-05-22 19:43 Justin Lecher
2012-05-15 8:27 Honza Macháček
2012-03-23 8:16 Honza Macháček
2012-03-23 8:02 Honza Macháček
2011-09-27 12:22 Honza Macháček
2011-06-29 15:28 Honza Macháček
2011-06-29 11:31 Honza Macháček
2011-06-24 17:09 Justin Lecher
2011-06-24 17:09 Justin Lecher
2011-06-24 17:09 Justin Lecher
2011-06-21 11:54 Justin Lecher
2011-05-10 9:54 Honza Macháček
2011-04-26 18:39 Dongxu Li
2011-04-09 21:11 Dongxu Li
2011-02-05 19:22 Honza Macháček
This is a public inbox, see mirroring instructions
for how to clone and mirror all data and code used for this inbox