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authorHonza Macháček <Hloupy.Honza@centrum.cz>2013-06-17 20:57:51 +0200
committerHonza Macháček <Hloupy.Honza@centrum.cz>2013-06-17 20:57:51 +0200
commit3f0b6eed08c88ed856a5f10ff39b134d211ebf9f (patch)
treeea2f6a45f58336f6c3e8dc3c649456c734acf3aa
parentVersion of bigdft bumped to 1.7_pre24, moved from sci-libs to sci-physics. No... (diff)
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sci-3f0b6eed08c88ed856a5f10ff39b134d211ebf9f.zip
Abinit & friends upgraded to sci-physics/abinit-7.2.2. BigDFT moved from sci-libs to sci-physics, sci-physics/abinit uses sci-libs/bigdft-abi instead. Usage of LIBDIR/finclude abandoned in favour of /usr/include, as mostly used upstream. Old files cleaned up.
-rw-r--r--sci-libs/bigdft-abi/ChangeLog12
-rw-r--r--sci-libs/bigdft-abi/Manifest3
-rw-r--r--sci-libs/bigdft-abi/bigdft-abi-1.0.4.ebuild166
-rw-r--r--sci-libs/bigdft-abi/files/bigdft-abi-1.0.4-tests.tar.bz2bin0 -> 402968 bytes
-rw-r--r--sci-libs/etsf_io/ChangeLog9
-rw-r--r--sci-libs/etsf_io/etsf_io-1.0.3-r2.ebuild (renamed from sci-libs/etsf_io/etsf_io-1.0.3-r1.ebuild)0
-rw-r--r--sci-libs/fox/ChangeLog10
-rw-r--r--sci-libs/fox/files/4.1.2-r2-install-customizations.patch (renamed from sci-libs/fox/files/4.0.4-install-customizations.patch)0
-rw-r--r--sci-libs/fox/fox-4.1.2-r2.ebuild (renamed from sci-libs/fox/fox-4.1.2-r1.ebuild)10
-rw-r--r--sci-libs/libxc/ChangeLog11
-rw-r--r--sci-libs/libxc/libxc-1.2.0-r1.ebuild (renamed from sci-libs/libxc/libxc-1.1.0-r1.ebuild)26
-rw-r--r--sci-libs/libxc/libxc-2.0.1.ebuild (renamed from sci-libs/libxc/libxc-1.2.0.ebuild)27
-rw-r--r--sci-libs/wannier90/ChangeLog7
-rw-r--r--sci-libs/wannier90/wannier90-1.2-r1.ebuild (renamed from sci-libs/wannier90/wannier90-1.2.ebuild)0
-rw-r--r--sci-physics/abinit/ChangeLog9
-rw-r--r--sci-physics/abinit/abinit-7.0.4.ebuild356
-rw-r--r--sci-physics/abinit/abinit-7.2.2.ebuild (renamed from sci-physics/abinit/abinit-7.0.5.ebuild)75
-rw-r--r--sci-physics/abinit/files/6.0.3-fftw.patch14
-rw-r--r--sci-physics/abinit/files/6.12.1-libabinit_options.patch57
-rw-r--r--sci-physics/abinit/files/6.12.3-gui-makefiles.tbzbin14600 -> 0 bytes
-rw-r--r--sci-physics/atompaw/ChangeLog7
-rw-r--r--sci-physics/atompaw/atompaw-3.0.1.9-r1.ebuild (renamed from sci-physics/atompaw/atompaw-3.0.1.9.ebuild)11
22 files changed, 319 insertions, 491 deletions
diff --git a/sci-libs/bigdft-abi/ChangeLog b/sci-libs/bigdft-abi/ChangeLog
new file mode 100644
index 000000000..4c4800877
--- /dev/null
+++ b/sci-libs/bigdft-abi/ChangeLog
@@ -0,0 +1,12 @@
+# ChangeLog for sci-libs/bigdft-abi
+# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
+# $Header: $
+
+*bigdft-abi-1.0.4 (17 Jun 2013)
+
+ 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz>
+ +bigdft-abi-1.0.4.ebuild, +files/bigdft-abi-1.0.4-tests.tar.bz2:
+ sci-libs/bigdft-abi-1.0.4 added. Replaces sci-libs/bigdft as a library of
+ sci-physics/abinit. Based on former sci-libs/bigdft ebuilds, usage of
+ LIBDIR/finclude abandoned in favour of /usr/include, as used upstream.
+
diff --git a/sci-libs/bigdft-abi/Manifest b/sci-libs/bigdft-abi/Manifest
new file mode 100644
index 000000000..bd17fc562
--- /dev/null
+++ b/sci-libs/bigdft-abi/Manifest
@@ -0,0 +1,3 @@
+AUX bigdft-abi-1.0.4-tests.tar.bz2 402968 SHA256 11144208456b001f63b75cadce0e9b685054ef8bbc39a76cb08af61d5c86c4fb SHA512 3594d11a8d5834916f44bf6f049630ac9d092df6a7a3171701ef65e5ab56e9d039c2bb4603698cb4935a95189c65d7bf77f44b50617ea8c971a844a2757b3202 WHIRLPOOL 492b92805a4eecb5bb204dbf76acf9a40c790b39708a914e38628a2f4dadc3377eed79f8d986231c006bc8c5be0167af60c36f72212005156e8fe3a3c619281c
+DIST bigdft-abi-1.0.4.tar.gz 8982260 SHA256 345cf49da92275710252d50b4ac8364f2f3c33e8f28d84d7b13ccf6fd0c69310 SHA512 556001d1ffd08be70b97f07a8a150d5d033a4611957180a7a25b41963754e0e3d2bb2a4e9d5b6beb8ff6fb1eb6f4ae9b51633cfe3d7f5a8ed20a85be21031c35 WHIRLPOOL b7c58732b538306f2b9b89b1310d9212cc1bb038fded782e6707e54679013ebc8376d54b5bd1bd51464dc7878fa05102fcba8f70a5d38b4571720c8d57ee3af1
+EBUILD bigdft-abi-1.0.4.ebuild 4232 SHA256 006484b64a83d7971efc05670b77d26114eed87f0d062c39e9b9bf01a4a005ce SHA512 bc34310bf3b4b3999574be8f67db51072a53b2a14fbf340edb72d046989f088b3c12b65f98a781fb5791263ce4c947786ee250dcbe4c162dcd194711321db4b5 WHIRLPOOL 28a1b685e427500acda0e210c9d2e72bbcd24bfe2be1b09112a1aab829d1efe9a896e28b45b42ec7db29c4908bc7cb3b73c83d0ad77accf9269ee9774e310537
diff --git a/sci-libs/bigdft-abi/bigdft-abi-1.0.4.ebuild b/sci-libs/bigdft-abi/bigdft-abi-1.0.4.ebuild
new file mode 100644
index 000000000..c285d6326
--- /dev/null
+++ b/sci-libs/bigdft-abi/bigdft-abi-1.0.4.ebuild
@@ -0,0 +1,166 @@
+# Copyright 1999-2013 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI=5
+
+PYTHON_COMPAT=( python2_5 python2_6 python2_7 )
+
+inherit autotools-utils eutils flag-o-matic fortran-2 python-any-r1 toolchain-funcs
+
+
+DESCRIPTION="A DFT electronic structure code using a wavelet basis set"
+HOMEPAGE="http://www.abinit.org/downloads/plug-in-sources"
+SRC_URI="http://forge.abinit.org/fallbacks/${P}.tar.gz"
+
+LICENSE="GPL-3"
+SLOT="0"
+KEYWORDS="~amd64 ~x86 ~amd64-linux"
+IUSE="cuda doc etsf_io mpi netcdf openmp opencl test"
+
+RDEPEND="
+ >=sci-libs/libxc-2.0.1[fortran]
+ virtual/blas
+ virtual/fortran
+ virtual/lapack
+ dev-libs/libyaml
+ mpi? ( virtual/mpi )
+ cuda? ( dev-util/nvidia-cuda-sdk )
+ opencl? ( virtual/opencl )
+ etsf_io? ( >=sci-libs/etsf_io-1.0.3-r2 )
+ netcdf? ( || (
+ sci-libs/netcdf[fortran]
+ sci-libs/netcdf-fortran
+ )
+ )"
+DEPEND="${RDEPEND}
+ virtual/pkgconfig
+ >=sys-devel/autoconf-2.59
+ doc? ( virtual/latex-base )
+ ${PYTHON_DEPS}
+ dev-python/pyyaml[libyaml]
+ app-arch/tar
+ app-arch/gzip"
+
+DOCS=( README INSTALL ChangeLog AUTHORS NEWS )
+
+FORTRAN_STANDARD=90
+
+pkg_setup() {
+ # fortran-2.eclass does not handle mpi wrappers
+ if use mpi; then
+ export FC="mpif90"
+ export F77="mpif77"
+ export CC="mpicc"
+ else
+ tc-export FC F77 CC
+ fi
+
+ # This should be correct.
+ # It is gcc-centric because toolchain-funcs.eclass is gcc-centric.
+ # Should a bug be filed against toolchain-funcs.eclass?
+ # if use openmp; then
+ # tc-has-openmp || \
+ # die "Please select an openmp capable compiler like gcc[openmp]"
+ # fi
+ #
+ # Luckily Abinit is a fortran package.
+ # fortran-2.eclass has its own test for OpenMP support,
+ # more general than toolchain-funcs.eclass
+ # The test itself proceeds inside fortran-2_pkg_setup
+ if use openmp; then FORTRAN_NEED_OPENMP=1; fi
+
+ fortran-2_pkg_setup
+ python-any-r1_pkg_setup
+}
+
+src_prepare() {
+# epatch \
+# "${FILESDIR}"/"${P}"-nolib_mods.patch
+#
+ tar -xjf "${FILESDIR}"/"${P}"-tests.tar.bz2 -C "${S}"/tests/DFT/
+ eautoreconf
+}
+
+src_configure() {
+ local openmp=""
+ if use openmp; then
+ # based on _fortran-has-openmp() of fortran-2.eclass
+ local fcode=ebuild-openmp-flags.f
+ local _fc=$(tc-getFC)
+
+ cat <<- EOF > "${fcode}"
+ call omp_get_num_threads
+ end
+ EOF
+
+ for openmp in -fopenmp -xopenmp -openmp -mp -omp -qsmp=omp; do
+ ${_fc} ${openmp} "${fcode}" -o "${fcode}.x" && break
+ done
+
+ rm -f "${fcode}.*"
+ fi
+ local modules="${EPREFIX}/usr/include"
+# local Imodules="-I${modules}"
+ local Imodules=""
+ local netcdff_libs="-lnetcdff"
+ filter-flags '-m*' '-O*' "-pipe"
+ local nvcflags="${CFLAGS}"
+ _filter-var nvcflags '-m*' '-O*' "-pipe" "-W*"
+ local myeconfargs=(
+ $(use_enable mpi)
+ --enable-optimised-convolution
+ --enable-pseudo
+ --enable-libbigdft
+ --enable-binaries
+ --disable-minima-hopping
+ --disable-internal-libyaml
+ --enable-internal-libabinit
+ --with-moduledir="${modules}"
+ --with-ext-linalg="$($(tc-getPKG_CONFIG) --libs-only-l lapack) \
+ $($(tc-getPKG_CONFIG) --libs-only-l blas)"
+ --with-ext-linalg-path="$($(tc-getPKG_CONFIG) --libs-only-L lapack) \
+ $($(tc-getPKG_CONFIG) --libs-only-L blas)"
+ --with-libxc="yes"
+ --disable-internal-libxc
+ $(use_enable cuda cuda-gpu)
+ $(use_with cuda cuda-path /opt/cuda)
+ $(use_with cuda nvcc-flags "${nvcflags}")
+ $(use_enable opencl)
+ $(use_with etsf_io etsf-io)
+ "$(use etsf_io && echo "--with-netcdf-libs=$($(tc-getPKG_CONFIG) --libs netcdf) ${netcdff_libs}")"
+ PKG_CONFIG="$(tc-getPKG_CONFIG)"
+ FCFLAGS="${FCFLAGS} ${openmp} ${Imodules}"
+ LD="$(tc-getLD)"
+ CPP="$(tc-getCPP)"
+ )
+ autotools-utils_src_configure
+}
+
+src_compile() {
+ #autotools-utils_src_compile() expanded
+ _check_build_dir
+ pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
+ emake -j1
+ sed -i -e's%\$(top_builddir)/[^ ]*/lib\([^ /$-]*\)\.a%-l\1%g' bigdft.pc
+ popd > /dev/null
+
+ #autotools-utils_src_compile
+ use doc && autotools-utils_src_compile doc
+}
+
+src_test() {
+ if use test; then
+ #autotools-utils_src_test() expanded
+ _check_build_dir
+ pushd "${BUILD_DIR}" > /dev/null || die
+ # Run default src_test as defined in ebuild.sh
+ cd tests
+ emake -j1 check
+ popd > /dev/null
+ fi
+}
+
+src_install() {
+ autotools-utils_src_install
+}
diff --git a/sci-libs/bigdft-abi/files/bigdft-abi-1.0.4-tests.tar.bz2 b/sci-libs/bigdft-abi/files/bigdft-abi-1.0.4-tests.tar.bz2
new file mode 100644
index 000000000..40f7ca5ac
--- /dev/null
+++ b/sci-libs/bigdft-abi/files/bigdft-abi-1.0.4-tests.tar.bz2
Binary files differ
diff --git a/sci-libs/etsf_io/ChangeLog b/sci-libs/etsf_io/ChangeLog
index 19ac5b64a..d47e36293 100644
--- a/sci-libs/etsf_io/ChangeLog
+++ b/sci-libs/etsf_io/ChangeLog
@@ -1,7 +1,14 @@
# ChangeLog for sci-libs/etsf_io
-# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
+# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*etsf_io-1.0.3-r2 (17 Jun 2013)
+
+ 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz>
+ -etsf_io-1.0.3-r1.ebuild, +etsf_io-1.0.3-r2.ebuild:
+ Usage of LIBDIR/finclude abandoned in favour of /usr/include, as used
+ upstream.
+
*etsf_io-1.0.3-r1 (19 Jun 2012)
19 Jun 2012; Honza Macháček <Hloupy.Honza@centrum.cz>
diff --git a/sci-libs/etsf_io/etsf_io-1.0.3-r1.ebuild b/sci-libs/etsf_io/etsf_io-1.0.3-r2.ebuild
index a3c62340d..a3c62340d 100644
--- a/sci-libs/etsf_io/etsf_io-1.0.3-r1.ebuild
+++ b/sci-libs/etsf_io/etsf_io-1.0.3-r2.ebuild
diff --git a/sci-libs/fox/ChangeLog b/sci-libs/fox/ChangeLog
index 1d50ca61b..c2a4d2fc6 100644
--- a/sci-libs/fox/ChangeLog
+++ b/sci-libs/fox/ChangeLog
@@ -1,7 +1,15 @@
# ChangeLog for sci-libs/fox
-# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
+# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*fox-4.1.2-r2 (17 Jun 2013)
+
+ 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz> -fox-4.1.2-r1.ebuild,
+ +fox-4.1.2-r2.ebuild, -files/4.0.4-install-customizations.patch,
+ +files/4.1.2-r2-install-customizations.patch:
+ Usage of LIBDIR/finclude abandoned in favour of /usr/include, as used by most
+ other packages.
+
22 Jun 2012; Alexey Shvetsov <alexxy@gentoo.org> fox-4.1.2-r1.ebuild:
[sci-libs/fox] make it prefix aware
diff --git a/sci-libs/fox/files/4.0.4-install-customizations.patch b/sci-libs/fox/files/4.1.2-r2-install-customizations.patch
index 0ea77314c..0ea77314c 100644
--- a/sci-libs/fox/files/4.0.4-install-customizations.patch
+++ b/sci-libs/fox/files/4.1.2-r2-install-customizations.patch
diff --git a/sci-libs/fox/fox-4.1.2-r1.ebuild b/sci-libs/fox/fox-4.1.2-r2.ebuild
index 20856c8da..c856fcb2c 100644
--- a/sci-libs/fox/fox-4.1.2-r1.ebuild
+++ b/sci-libs/fox/fox-4.1.2-r2.ebuild
@@ -1,8 +1,8 @@
-# Copyright 1999-2012 Gentoo Foundation
+# Copyright 1999-2013 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
-EAPI=4
+EAPI=5
inherit eutils
@@ -30,7 +30,7 @@ S="${WORKDIR}/${MY_P}"
FORTRAN_STANDARD=90
src_prepare() {
- epatch "${FILESDIR}"/4.0.4-install-customizations.patch
+ epatch "${FILESDIR}"/4.1.2-r2-install-customizations.patch
}
src_configure() {
@@ -50,13 +50,13 @@ src_compile() {
}
src_test() {
- emake -j1 check || die "make check failed"
+ emake -j1 check || ewarn "make check failed"
einfo "Please look at the last few RESULT lines for a summary."
}
src_install() {
sed -i -e's%^comp_prefix=.*$%comp_prefix=${EPREFIX}/usr%' \
- -e's%comp_prefix/finclude%comp_prefix/lib/finclude%' \
+ -e's%comp_prefix/finclude%comp_prefix/include%' \
-e's%\$libdir/lib\([^ ]\+\)\.a\>%-l\1%g' \
-e's%\(echo\( -I"$moddir"\)\?\) \$LIBS%\1 -L"$libdir" $LIBS%' \
FoX-config
diff --git a/sci-libs/libxc/ChangeLog b/sci-libs/libxc/ChangeLog
index 291d4ae5f..4bf38b928 100644
--- a/sci-libs/libxc/ChangeLog
+++ b/sci-libs/libxc/ChangeLog
@@ -1,7 +1,16 @@
# ChangeLog for sci-libs/libxc
-# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
+# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*libxc-2.0.1 (17 Jun 2013)
+*libxc-1.2.0-r1 (17 Jun 2013)
+
+ 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz>
+ -libxc-1.1.0-r1.ebuild, -libxc-1.2.0.ebuild, +libxc-1.2.0-r1.ebuild,
+ +libxc-2.0.1.ebuild, libxc-9999.ebuild:
+ Version bumped to 2.0.1. Usage of LIBDIR/finclude abandoned in favour of
+ /usr/include, as used upstream. Old files cleaned up.
+
22 Jun 2012; Alexey Shvetsov <alexxy@gentoo.org> libxc-1.1.0-r1.ebuild,
libxc-1.2.0.ebuild:
[sci-libs/libxc] add ~amd64-linux
diff --git a/sci-libs/libxc/libxc-1.1.0-r1.ebuild b/sci-libs/libxc/libxc-1.2.0-r1.ebuild
index 0d9fc78f4..7f4ab188d 100644
--- a/sci-libs/libxc/libxc-1.1.0-r1.ebuild
+++ b/sci-libs/libxc/libxc-1.2.0-r1.ebuild
@@ -1,8 +1,8 @@
-# Copyright 1999-2012 Gentoo Foundation
+# Copyright 1999-2013 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
-EAPI=4
+EAPI=5
inherit autotools-utils fortran-2 multilib
@@ -15,7 +15,7 @@ SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz"
LICENSE="LGPL-3"
SLOT="0"
KEYWORDS="~amd64 ~x86 ~amd64-linux"
-IUSE="fortran static-libs"
+IUSE="fortran static-libs -test"
S="${WORKDIR}"/${MY_P}
@@ -37,17 +37,19 @@ src_configure() {
## Upstream recommends not running the test suite because it requires
## human expert interpretation to determine whether output is an error or
## expected under certain circumstances.
-# src_test() { :; }
+# The autotools src_test function modified not to die. Runs emake check in build directory.
+src_test() {
+ debug-print-function ${FUNCNAME} "$@"
+
+ _check_build_dir
+ pushd "${BUILD_DIR}" > /dev/null || die
+ ewarn "This will fail if any test fails, no matter how dealt with in the ebuild."
+ make check || ewarn "Make check failed. See above for details."
+ einfo "emake check done"
+ popd > /dev/null || die
+}
src_install() {
autotools-utils_src_install
- if use fortran; then
- # argument for this: --with-moduledir from etsf_io/bigdft
- insinto /usr/$(get_libdir)/finclude
- pushd "${AUTOTOOLS_BUILD_DIR}"/src >/dev/null
- doins *.mod || die
- rm -f "${D}"/usr/include/*.mod || die
- popd >/dev/null
- fi
}
diff --git a/sci-libs/libxc/libxc-1.2.0.ebuild b/sci-libs/libxc/libxc-2.0.1.ebuild
index 0d9fc78f4..47b17a3da 100644
--- a/sci-libs/libxc/libxc-1.2.0.ebuild
+++ b/sci-libs/libxc/libxc-2.0.1.ebuild
@@ -1,8 +1,8 @@
-# Copyright 1999-2012 Gentoo Foundation
+# Copyright 1999-2013 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
-EAPI=4
+EAPI=5
inherit autotools-utils fortran-2 multilib
@@ -15,7 +15,7 @@ SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz"
LICENSE="LGPL-3"
SLOT="0"
KEYWORDS="~amd64 ~x86 ~amd64-linux"
-IUSE="fortran static-libs"
+IUSE="fortran static-libs -test"
S="${WORKDIR}"/${MY_P}
@@ -36,18 +36,19 @@ src_configure() {
## Upstream recommends not running the test suite because it requires
## human expert interpretation to determine whether output is an error or
-## expected under certain circumstances.
-# src_test() { :; }
+## expected under certain circumstances. Nevertheless, experts might want the option.
+# The autotools src_test function modified not to die. Runs emake check in build directory.
+src_test() {
+ debug-print-function ${FUNCNAME} "$@"
+
+ _check_build_dir
+ pushd "${BUILD_DIR}" > /dev/null || die
+ make check || ewarn "Make check failed. See above for details."
+ einfo "emake check done"
+ popd > /dev/null || die
+}
src_install() {
autotools-utils_src_install
- if use fortran; then
- # argument for this: --with-moduledir from etsf_io/bigdft
- insinto /usr/$(get_libdir)/finclude
- pushd "${AUTOTOOLS_BUILD_DIR}"/src >/dev/null
- doins *.mod || die
- rm -f "${D}"/usr/include/*.mod || die
- popd >/dev/null
- fi
}
diff --git a/sci-libs/wannier90/ChangeLog b/sci-libs/wannier90/ChangeLog
index dfe5c7a0c..bb0da8817 100644
--- a/sci-libs/wannier90/ChangeLog
+++ b/sci-libs/wannier90/ChangeLog
@@ -2,6 +2,13 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*wannier90-1.2-r1 (17 Jun 2013)
+
+ 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz>
+ -wannier90-1.2.ebuild, +wannier90-1.2-r1.ebuild:
+ Usage of LIBDIR/finclude abandoned in favour of /usr/include, as used by most
+ packages.
+
22 Feb 2013; Justin Lecher <jlec@gentoo.org> wannier90-1.2.ebuild,
metadata.xml:
Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config;
diff --git a/sci-libs/wannier90/wannier90-1.2.ebuild b/sci-libs/wannier90/wannier90-1.2-r1.ebuild
index 252792245..252792245 100644
--- a/sci-libs/wannier90/wannier90-1.2.ebuild
+++ b/sci-libs/wannier90/wannier90-1.2-r1.ebuild
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog
index 72028dd6b..a4f623b87 100644
--- a/sci-physics/abinit/ChangeLog
+++ b/sci-physics/abinit/ChangeLog
@@ -2,6 +2,15 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*abinit-7.2.2 (17 Jun 2013)
+
+ 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz> -abinit-7.0.4.ebuild,
+ -abinit-7.0.5.ebuild, +abinit-7.2.2.ebuild, -files/6.0.3-fftw.patch,
+ -files/6.12.1-libabinit_options.patch, -files/6.12.3-gui-makefiles.tbz:
+ Version bumped to 7.2.2. Switched from sci-libs/bigdft to
+ sci-libs/bigdft-abi. Usage of LIBDIR/finclude abandoned in favour of
+ /usr/include, as used upstream. Old files cleaned up.
+
03 Mar 2013; Justin Lecher <jlec@gentoo.org> -abinit-6.12.3-r2.ebuild:
Drop old
diff --git a/sci-physics/abinit/abinit-7.0.4.ebuild b/sci-physics/abinit/abinit-7.0.4.ebuild
deleted file mode 100644
index 3bfaa809f..000000000
--- a/sci-physics/abinit/abinit-7.0.4.ebuild
+++ /dev/null
@@ -1,356 +0,0 @@
-# Copyright 1999-2013 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: $
-
-EAPI=4
-
-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/"
-SRC_URI="http://ftp.abinit.org/${P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="cuda cuda-double -debug +etsf_io +fftw +fftw-threads +fox gsl gui +hdf5 libabinit mpi +netcdf openmp python -test +threads -vdwxc"
-
-RDEPEND="~sci-libs/bigdft-1.7_pre12
- =sci-libs/libxc-1*[fortran]
- sci-physics/atompaw[libxc]
- etsf_io? ( sci-libs/etsf_io )
- fox? ( >=sci-libs/fox-4.1.2-r1[sax] )
- netcdf? (
- || (
- sci-libs/netcdf[fortran]
- sci-libs/netcdf-fortran
- )
- hdf5? (
- sci-libs/netcdf[hdf5]
- )
- )
- hdf5? ( sci-libs/hdf5[fortran] )
- sci-libs/wannier90
- virtual/blas
- virtual/lapack
- gsl? ( sci-libs/gsl )
- fftw? (
- sci-libs/fftw:3.0
- fftw-threads? ( sci-libs/fftw:3.0[threads] )
- )
- mpi? ( virtual/mpi )
- python? ( dev-python/numpy )
- cuda? ( dev-util/nvidia-cuda-sdk )"
-DEPEND="${RDEPEND}
- virtual/pkgconfig
- gui? ( >=virtual/jdk-1.6.0
- app-arch/sharutils
- sys-apps/gawk )
- dev-perl/Text-Markdown"
-
-S=${WORKDIR}/${P%[a-z]}
-
-lat1loc=""
-
-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
-
- fortran-2_pkg_setup
- 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
- ewarn "fftw-threads set but fftw not used, ignored"
- fi
- if use cuda-double && ! use cuda; then
- ewarn "cuda-double set but cuda not used, ignored"
- fi
- if use gui; then
- lat1loc="$(locale |awk '/LC_CTYPE="(.*)"/{sub("LC_CTYPE=\"",""); sub("\" *$", ""); print}')"
- if locale charmap |grep -i "\<iso885915\?\>"; then
- einfo "Good, locale compatible with the GUI build"
- else
- ewarn "The locale ${lat1loc} incompatible with the GUI build"
- if latloc=`locale -a| grep -i "\<iso885915\?\>"`; then
- if echo "${latloc}" |grep -q "^fr"; then
- lat1loc="$(echo "${latloc}" | grep -im1 "^fr")"
- else
- lat1loc="$(echo "${latloc}" | grep -im1 "iso88591")"
- fi
- einfo "Will use ${lat1loc} to build the GUI"
- else
- ewarn "No ISO-8859-1 nor ISO-8859-15 locale available, the GUI build may crash"
- fi
- fi
- fi
-}
-
-src_unpack() {
- default_src_unpack
- if use gui; then
- pushd "${S}" > /dev/null
- tar -xjf "${FILESDIR}"/6.12.3-gui-makefiles.tbz
- popd > /dev/null
- fi
-
-}
-
-src_prepare() {
- epatch \
- "${FILESDIR}"/6.2.2-change-default-directories.patch \
- "${FILESDIR}"/6.12.1-autoconf.patch \
- "${FILESDIR}"/6.12.1-xmalloc.patch \
- "${FILESDIR}"/7.0.4-test_dirs.patch
- eautoreconf
- sed -e"s/\(grep '\^-\)\(\[LloW\]\)'/\1\\\(\2\\\|pthread\\\)'/g" -i configure
-
- if use gui; then
- pushd gui > /dev/null
- eautoreconf
- popd > /dev/null
- fi
-}
-
-src_configure() {
- local openmp=""
- use openmp && openmp="-fopenmp"
- local libs=""
- local modules="-I/usr/$(get_libdir)/finclude $(FoX-config --sax --fcflags)"
- local FoX_libs="${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 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 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} $($(tc-getPKG_CONFIG) --libs fftw3_threads) $($(tc-getPKG_CONFIG) --libs fftw3)"
- else
- fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads)"
- fi
- else
- fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3)"
- 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
- $(use_enable gui)
- $(use_enable debug debug enhanced)
- $(use_enable mpi)
- $(use_enable mpi mpi-io)
- $(use_enable openmp)
- $(use_enable vdwxc)
- $(use_enable cuda gpu)
- "$(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)")"
- "$(use gsl && echo "--with-math-libs=$($(tc-getPKG_CONFIG) --libs gsl)")"
- --with-linalg-flavor="atlas"
- --with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)"
- --with-trio-flavor="${trio_flavor}"
- "$(use netcdf && echo "--with-netcdf-incs=-I/usr/include")"
- "$(use netcdf && echo "--with-netcdf-libs=$($(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=${libs} -letsf_io -letsf_io_utils -letsf_io_low_level")"
- --with-dft-flavor="libxc+bigdft+atompaw+wannier90"
- --with-libxc-incs="${modules}"
- --with-libxc-libs="${libs} -lxc"
- --with-bigdft-incs="${modules}"
- --with-bigdft-libs="$($(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 $($(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=${fft_libs}")"
- --with-timer-flavor="abinit"
- LD="$(tc-getLD)"
- FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${openmp} ${modules} -I/usr/include"
- )
-
- MARKDOWN=Markdown.pl autotools-utils_src_configure
-
- if use gui; then
- # autotools-utils_src_configure() part expanded
- _check_build_dir
- pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
- mkdir -p gui
- cd gui
- ECONF_SOURCE="${S}"/gui econf UUDECODE="uudecode"
- popd > /dev/null
- fi
-}
-
-src_compile() {
- autotools-utils_src_compile
-
- # Apparently libabinit.a is not built by default
- # Used by BigDFT. Should probably be built separately,
- # as a package of its own: BigDFT used by Abinit.
- # Does libabinit.a depend on BigDFT, if used?
- # Can Abinit use external libabinit.a?
- use libabinit && autotools-utils_src_compile libabinit.a
-
- if use gui; then
- #autotools-utils_src_compile() expanded
- # _check_build_dir has already been called
- pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
- # now what the function cannot be called to do
- cd gui
- LC_CTYPE="${lat1loc}" emake || die "Making GUI failed"
- popd > /dev/null
- fi
-
- sed -i -e's/libatlas/lapack/' "${AUTOTOOLS_BUILD_DIR}"/config.pc
-}
-
-src_test() {
- einfo "The tests take quite a while, easily several hours"
- # 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
- cd tests
- emake tests_acc || ewarn "Accuracy 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_bs || ewarn "BSE tests failed"
- emake tests_tddft || ewarn "TDDFT tests failed"
- emake tests_eph || ewarn "Elphon tests 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 ${testdir}
- fi
- done
- popd > /dev/null
-
- elog "The full test results will be installed as summary_of_tests.tar.bz2."
- elog "Also a concise report tests_summary.txt is installed."
-}
-
-src_install() {
- #autotools-utils_src_install() expanded
- _check_build_dir
- pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
- emake DESTDIR="${D}" install || die "make install failed"
-
- use libabinit && dolib libabinit.a
-
- if use gui; then
- pushd gui > /dev/null
- emake DESTDIR="${D}" install || die "The GUI install failed"
- popd > /dev/null
- fi
-
- if use test; then
- for dc in tests_summary.txt summary_of_tests.tar; do
- test -e tests/"${dc}" && dodoc tests/"${dc}" || ewarn "Copying tests results 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
-
- # Remove libtool files and unnecessary static libs
- remove_libtool_files
-}
-
-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/abinit-7.0.5.ebuild b/sci-physics/abinit/abinit-7.2.2.ebuild
index 3bfaa809f..0a2b49b76 100644
--- a/sci-physics/abinit/abinit-7.0.5.ebuild
+++ b/sci-physics/abinit/abinit-7.2.2.ebuild
@@ -2,7 +2,7 @@
# Distributed under the terms of the GNU General Public License v2
# $Header: $
-EAPI=4
+EAPI=5
inherit autotools-utils eutils flag-o-matic fortran-2 multilib toolchain-funcs
@@ -15,11 +15,11 @@ SLOT="0"
KEYWORDS="~amd64 ~x86"
IUSE="cuda cuda-double -debug +etsf_io +fftw +fftw-threads +fox gsl gui +hdf5 libabinit mpi +netcdf openmp python -test +threads -vdwxc"
-RDEPEND="~sci-libs/bigdft-1.7_pre12
- =sci-libs/libxc-1*[fortran]
- sci-physics/atompaw[libxc]
- etsf_io? ( sci-libs/etsf_io )
- fox? ( >=sci-libs/fox-4.1.2-r1[sax] )
+RDEPEND="~sci-libs/bigdft-abi-1.0.4
+ >=sci-libs/libxc-2.0.1[fortran]
+ >=sci-physics/atompaw-3.0.1.9-r1[libxc]
+ etsf_io? ( >=sci-libs/etsf_io-1.0.3-r2 )
+ fox? ( >=sci-libs/fox-4.1.2-r2[sax] )
netcdf? (
|| (
sci-libs/netcdf[fortran]
@@ -30,7 +30,7 @@ RDEPEND="~sci-libs/bigdft-1.7_pre12
)
)
hdf5? ( sci-libs/hdf5[fortran] )
- sci-libs/wannier90
+ >=sci-libs/wannier90-1.2-r1
virtual/blas
virtual/lapack
gsl? ( sci-libs/gsl )
@@ -79,10 +79,29 @@ pkg_setup() {
# 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 && [[ $(tc-getCC)$ == *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
@@ -139,9 +158,24 @@ src_prepare() {
src_configure() {
local openmp=""
- use openmp && openmp="-fopenmp"
+ if use openmp; then
+ # based on _fortran-has-openmp() of fortran-2.eclass
+ local fcode=ebuild-openmp-flags.f
+ local _fc=$(tc-getFC)
+
+ cat <<- EOF > "${fcode}"
+ 1 call omp_get_num_threads
+ 2 end
+ EOF
+
+ for openmp in -fopenmp -xopenmp -openmp -mp -omp -qsmp=omp; do
+ ${_fc} ${openmp} "${fcode}" -o "${fcode}.x" && break
+ done
+
+ rm -f "${fcode}.*"
+ fi
local libs=""
- local modules="-I/usr/$(get_libdir)/finclude $(FoX-config --sax --fcflags)"
+ local modules="$(FoX-config --sax --fcflags)"
local FoX_libs="${libs} $(FoX-config --sax --libs)"
local trio_flavor=""
use etsf_io && trio_flavor="${trio_flavor}+etsf_io"
@@ -162,20 +196,11 @@ src_configure() {
# 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} $($(tc-getPKG_CONFIG) --libs fftw3_threads) $($(tc-getPKG_CONFIG) --libs fftw3)"
- else
- fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads)"
- fi
+ fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3_threads)"
+ fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3f_threads)"
else
fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3)"
+ fft_libs="${fft_libs} $($(tc-getPKG_CONFIG) --libs fftw3f)"
fi
local gpu_flavor="none"
if use cuda; then
@@ -345,7 +370,7 @@ src_install() {
fi
# Remove libtool files and unnecessary static libs
- remove_libtool_files
+ prune_libtool_files
}
pkg_postinst() {
diff --git a/sci-physics/abinit/files/6.0.3-fftw.patch b/sci-physics/abinit/files/6.0.3-fftw.patch
deleted file mode 100644
index 6eca1e4ac..000000000
--- a/sci-physics/abinit/files/6.0.3-fftw.patch
+++ /dev/null
@@ -1,14 +0,0 @@
-diff -Naur tmp-old/src/53_ffts/ccfft.F90 tmp-new/src/53_ffts/ccfft.F90
---- src/53_ffts/ccfft.F90 2009-03-11 05:12:18.000000000 +0000
-+++ src/53_ffts/ccfft.F90 2009-04-14 12:13:31.000000000 +0000
-@@ -96,8 +96,8 @@
- integer,intent(out) :: inplace,normalized
- type(MPI_type),intent(inout) :: mpi_enreg
- !arrays
-- real(dp),intent(inout) :: work1(2,n4*n5*n6*ndat)
-- real(dp),intent(out) :: work2(2,n4*n5*n6*ndat)
-+ real(dp),intent(inout) :: work1(2*n4,n5,n6,ndat)
-+ real(dp),intent(out) :: work2(2*n4,n5,n6,ndat)
-
- !Local variables ------------------------------
- !scalars
diff --git a/sci-physics/abinit/files/6.12.1-libabinit_options.patch b/sci-physics/abinit/files/6.12.1-libabinit_options.patch
deleted file mode 100644
index ad28a8183..000000000
--- a/sci-physics/abinit/files/6.12.1-libabinit_options.patch
+++ /dev/null
@@ -1,57 +0,0 @@
-diff -Naur abinit-6.12.1_orig/Makefile.am abinit-6.12.1/Makefile.am
---- Makefile.am 2012-01-30 19:42:26.000000000 +0000
-+++ Makefile.am 2012-03-22 10:32:50.000000000 +0000
-@@ -1279,12 +1279,16 @@
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/12_hide_mpi/lib12_hide_mpi.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/13_memory_mpi/lib13_memory_mpi.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/14_hidewrite/lib14_hidewrite.a
-+if DO_BUILD_15_GPU_TOOLBOX
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/15_gpu_toolbox/lib15_gpu_toolbox.a
-+endif
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/16_hideleave/lib16_hideleave.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/18_timing/lib18_timing.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/27_toolbox_oop/lib27_toolbox_oop.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/28_numeric_noabirule/lib28_numeric_noabirule.a
-+if DO_BUILD_32_CONTRACT
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/32_contract/lib32_contract.a
-+endif
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/32_util/lib32_util.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/42_geometry/lib42_geometry.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/42_nlstrain/lib42_nlstrain.a
-@@ -1298,7 +1302,9 @@
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/49_gw_toolbox_oop/lib49_gw_toolbox_oop.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/51_manage_mpi/lib51_manage_mpi.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a
-+if DO_BUILD_52_MANAGE_CUDA
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/52_manage_cuda/lib52_manage_cuda.a
-+endif
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/53_abiutil/lib53_abiutil.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/53_ffts/lib53_ffts.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/53_spacepar/lib53_spacepar.a
-diff -Naur abinit-6.12.1_orig/Makefile.in abinit-6.12.1/Makefile.in
---- Makefile.in 2012-03-22 09:23:51.000000000 +0000
-+++ Makefile.in 2012-03-22 10:33:22.000000000 +0000
-@@ -2638,12 +2638,12 @@
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/12_hide_mpi/lib12_hide_mpi.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/13_memory_mpi/lib13_memory_mpi.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/14_hidewrite/lib14_hidewrite.a
-- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/15_gpu_toolbox/lib15_gpu_toolbox.a
-+@DO_BUILD_15_GPU_TOOLBOX_TRUE@ cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/15_gpu_toolbox/lib15_gpu_toolbox.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/16_hideleave/lib16_hideleave.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/18_timing/lib18_timing.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/27_toolbox_oop/lib27_toolbox_oop.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/28_numeric_noabirule/lib28_numeric_noabirule.a
-- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/32_contract/lib32_contract.a
-+@DO_BUILD_32_CONTRACT_TRUE@ cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/32_contract/lib32_contract.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/32_util/lib32_util.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/42_geometry/lib42_geometry.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/42_nlstrain/lib42_nlstrain.a
-@@ -2657,7 +2657,7 @@
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/49_gw_toolbox_oop/lib49_gw_toolbox_oop.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/51_manage_mpi/lib51_manage_mpi.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a
-- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/52_manage_cuda/lib52_manage_cuda.a
-+@DO_BUILD_52_MANAGE_CUDA_TRUE@ cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/52_manage_cuda/lib52_manage_cuda.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/53_abiutil/lib53_abiutil.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/53_ffts/lib53_ffts.a
- cd $(libabinit_tmpdir) && $(AR) xv $(abs_top_builddir)/src/53_spacepar/lib53_spacepar.a
diff --git a/sci-physics/abinit/files/6.12.3-gui-makefiles.tbz b/sci-physics/abinit/files/6.12.3-gui-makefiles.tbz
deleted file mode 100644
index d324544e9..000000000
--- a/sci-physics/abinit/files/6.12.3-gui-makefiles.tbz
+++ /dev/null
Binary files differ
diff --git a/sci-physics/atompaw/ChangeLog b/sci-physics/atompaw/ChangeLog
index 38dfd7881..54678f46e 100644
--- a/sci-physics/atompaw/ChangeLog
+++ b/sci-physics/atompaw/ChangeLog
@@ -2,6 +2,13 @@
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*atompaw-3.0.1.9-r1 (17 Jun 2013)
+
+ 17 Jun 2013; Honza Macháček <Hloupy.Honza@centrum.cz>
+ -atompaw-3.0.1.9.ebuild, +atompaw-3.0.1.9-r1.ebuild:
+ Usage of LIBDIR/finclude abandoned in favour of /usr/include, as used
+ upstream. Old files cleaned up.
+
22 Feb 2013; Justin Lecher <jlec@gentoo.org> atompaw-3.0.1.9.ebuild,
metadata.xml:
Use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config;
diff --git a/sci-physics/atompaw/atompaw-3.0.1.9.ebuild b/sci-physics/atompaw/atompaw-3.0.1.9-r1.ebuild
index bbb78cafc..1408910e5 100644
--- a/sci-physics/atompaw/atompaw-3.0.1.9.ebuild
+++ b/sci-physics/atompaw/atompaw-3.0.1.9-r1.ebuild
@@ -2,7 +2,7 @@
# Distributed under the terms of the GNU General Public License v2
# $Header: $
-EAPI=4
+EAPI=5
inherit autotools-utils eutils fortran-2 multilib toolchain-funcs
@@ -17,12 +17,12 @@ SRC_URI="
LICENSE="GPL-2"
SLOT="0"
KEYWORDS="~amd64 ~x86"
-IUSE="doc libxc"
+IUSE="doc libxc test"
RDEPEND="
virtual/blas
virtual/lapack
- libxc? ( sci-libs/libxc[fortran] )"
+ libxc? ( >=sci-libs/libxc-1.2.0-r1[fortran] )"
DEPEND="${RDEPEND}
virtual/pkgconfig"
@@ -44,13 +44,12 @@ src_prepare() {
}
src_configure() {
- local modules="-I/usr/$(get_libdir)/finclude"
local myeconfargs=(
$(use_enable libxc)
--with-linalg-flavor=atlas
--with-linalg-libs="$($(tc-getPKG_CONFIG) --libs lapack)"
- --with-libxc-incs="-I/usr/include ${modules}"
- --with-libxc-libs="${libs} -lxc"
+ --with-libxc-incs="-I/usr/include $($(tc-getPKG_CONFIG) --cflags libxc)"
+ --with-libxc-libs="$($(tc-getPKG_CONFIG) --libs libxc)"
FC="$(tc-getFC)" FCFLAGS="${FCFLAGS}"
CC="$(tc-getCC)" LDFLAGS="${LDFLAGS}"
)