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authorV3n3RiX <venerix@redcorelinux.org>2018-04-19 14:14:48 +0100
committerV3n3RiX <venerix@redcorelinux.org>2018-04-19 14:14:48 +0100
commit5cfef3c94cd7e82136c69a0322f5ba21f7e64632 (patch)
tree8f255dfacbacb657e3ac3654d01c1e11e651c066 /sci-chemistry/mpqc
parent8aebb228036d5e2863b7eaa6e319ab41c1669269 (diff)
gentoo resync : 19.04.2018
Diffstat (limited to 'sci-chemistry/mpqc')
-rw-r--r--sci-chemistry/mpqc/Manifest3
-rw-r--r--sci-chemistry/mpqc/mpqc-2.3.1-r1.ebuild92
-rw-r--r--sci-chemistry/mpqc/mpqc-2.3.1-r2.ebuild102
-rw-r--r--sci-chemistry/mpqc/mpqc-2.3.1-r3.ebuild106
4 files changed, 0 insertions, 303 deletions
diff --git a/sci-chemistry/mpqc/Manifest b/sci-chemistry/mpqc/Manifest
index 9109f253ea43..a3e4f501b1c8 100644
--- a/sci-chemistry/mpqc/Manifest
+++ b/sci-chemistry/mpqc/Manifest
@@ -4,8 +4,5 @@ AUX mpqc-2.3.1-respect-ldflags.patch 666 BLAKE2B 63e6f1234b63e3ef44b99e360adfd01
AUX mpqc-2.3.1-test-failure-hack.patch 543 BLAKE2B 77800cac8c280bd6ffc60153ad703a46d693eba2faa5759b5f5ff8b24f3ed9f516c66f466a15128540eaad778fa447e9a02ea563304deeb9aba1796b9786b29d SHA512 ae626fd6b723f6089b4cf6c2866863ab622aded5636735475cc2d85450b3753bc1cd3168ae1dcb49a579c4a15103cc64256c96eb12b52fcf0599e12bbdacfbc9
AUX mpqc-2.3.1-wformat-security.patch 2284 BLAKE2B c733b98618e611e93a6ed3939b47476c1c7bdb4275c19f4bbceae5ca28ccd0ee6da2c97fc0ab952d64ea5cb951cfbbfbc13b01b960c8ad7f9cb4973347b38f37 SHA512 22b30cc10f64ff96d027d2727643a3f3bfb08315f33996dfd8b9a28e0dcb9bee2d07cf1d8eead0df22be3117206737a52e350e7dfcfa07d381086610a6b94595
DIST mpqc-2.3.1.tar.bz2 2521392 BLAKE2B 0c2cd9ac2fe32791ab5f0226972b5f1376e5f0ed368e12f6e89f8ff44cb11e4e2cf150f24b3768eb119e94289aca989a5287fef9b51dbd67e2856e944b61c299 SHA512 34f24f72c6c0024e72d47c7fd17927ca2a88020b30d22a791954fbc933f67ed6dd6741ee8a80ddd4fdb007f1a357b5f5ea7fc284cab85474bf60e9f29aaaa747
-EBUILD mpqc-2.3.1-r1.ebuild 2267 BLAKE2B 8d76ea864b51ad58c571dc95b8453bc9eae5028d810b6fbce669c3bebeec4b782229256c85b39091376c4432b41cc574a05203386654821749c800a3dd8344f8 SHA512 4b191021570bd3f29e58e76fdd63a0c25a6eed87160df189d8fbe202b4fb1f0dc4c63aba0c5500e87ab39c8a018eefda25252560bf6e1acd4ad29fe3a2c504e1
-EBUILD mpqc-2.3.1-r2.ebuild 2471 BLAKE2B 3b7b069e709ad64ee7a4e22d8fa51703a22cf7077a1d36c3d506e9598a3a515fe2775f8a5c74268f571dc329d43ae064fcf78571974fdab15017b2421ee92c01 SHA512 c87973d00b02822c0966151fc61c113430ed51ce4f9c048173163b77928fbc4ca4f664ad46d48455c33c7307835173ce1609197286441d4ff329dcdbacab4f16
-EBUILD mpqc-2.3.1-r3.ebuild 2481 BLAKE2B c1e5c1df4e1fd0d947b0a3384413e4e28c93742897254cb02b2c9f99a5aedcabaa017444196a4af64d995b1cea7a9a55064d5398b3d43521486cbf6a623a1c35 SHA512 e169bc991e917b036ae715d2a08c8ee013c585a4607f16c70edaf8910ff577a3b8325b10d8ae0d59bf653ecee2a1c897364338c7da925683c1b30f8e50b87826
EBUILD mpqc-2.3.1-r4.ebuild 2418 BLAKE2B 16a077d68bc41da4670cc19fcd404b7f73e3e07213c7e9f2baefacae27cda7fbf5b9bfeda90e256f5cae7648834a2dd15958fd44faa8ff7bf49b1d568691584d SHA512 41e91bcdc68613f53a712cb9235c3b0783f3d841395594c8f7bc90211cb80d30981b9d0c4290906cee52269e3486560576b5f09a836ccf5ccb96cc2bae7db512
MISC metadata.xml 349 BLAKE2B a0ae0f532958bd0dd101b63a303db066c64197b45cc6b73521073e38c0bf52bef1209575e8232928aed14d541928b9ffa7f537c7723c3b14ed69cf3b09c49f17 SHA512 4cdfca1b779b107326bdc77fd120008a4daa7da9b93ed3f783e95637796545b95c04477786633856f3d3e1656339db042953d3b2644a18cc25a2b1dc91dc80c6
diff --git a/sci-chemistry/mpqc/mpqc-2.3.1-r1.ebuild b/sci-chemistry/mpqc/mpqc-2.3.1-r1.ebuild
deleted file mode 100644
index 794008aa31d9..000000000000
--- a/sci-chemistry/mpqc/mpqc-2.3.1-r1.ebuild
+++ /dev/null
@@ -1,92 +0,0 @@
-# Copyright 1999-2013 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-DESCRIPTION="The Massively Parallel Quantum Chemistry Program"
-HOMEPAGE="http://www.mpqc.org/"
-SRC_URI="mirror://sourceforge/mpqc/${P}.tar.bz2"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 ppc ppc64 x86"
-IUSE="doc threads tk"
-
-RDEPEND="
- virtual/blas
- virtual/lapack
- tk? ( dev-lang/tk )"
-DEPEND="${RDEPEND}
- dev-lang/perl
- sys-devel/flex
- sys-apps/sed
- virtual/pkgconfig
- doc? (
- app-doc/doxygen
- media-gfx/graphviz )"
-
-src_unpack() {
- unpack ${A}
- cd "${S}"
-
- # do not install tkmolrender if not requested
- if ! use tk; then
- sed \
- -e "s:.*/bin/molrender/tkmolrender.*::" \
- -e "s:.*\$(INSTALLBINOPT) tkmolrender.*::" \
- -e "s:/bin/rm -f tkmolrender::" \
- -i "./src/bin/molrender/Makefile" \
- || die "failed to disable tkmolrender"
- fi
-}
-
-src_compile() {
- # Only shared will work on ppc64 - bug #62124
- # But we always want shared libraries
- econf \
- $(use_enable threads) \
- --enable-shared \
- ${myconf}
-
- sed \
- -e "s:^CFLAGS =.*$:CFLAGS=${CFLAGS}:" \
- -e "s:^FFLAGS =.*$:FFLAGS=${FFLAGS:- -O2}:" \
- -e "s:^CXXFLAGS =.*$:CXXFLAGS=${CXXFLAGS}:" \
- lib/LocalMakefile
- emake || die "emake failed"
-}
-
-src_test() {
- cd "${S}"/src/bin/mpqc/validate
-
- # we'll only run the small test set, since the
- # medium and large ones take >10h and >24h on my
- # 1.8Ghz P4M
- emake -j1 check0 || die "failed in test routines"
-}
-
-src_install() {
- emake -j1 installroot="${D}" install install_devel install_inc \
- || die "install failed"
-
- dodoc CHANGES CITATION README || die "failed to install docs"
-
- # make extended docs
- if use doc; then
- cd "${S}"/doc
- emake -j1 all || die "failed to generate documentation"
- doman man/man1/* man/man3/* || \
- die "failed to install man pages"
- dohtml -r html/
- fi
-}
-
-pkg_postinst() {
- echo
- einfo "MPQC can be picky with regard to compilation flags."
- einfo "If during mpqc runs you have trouble converging or "
- einfo "experience oscillations during SCF interations, "
- einfo "consider recompiling with less aggressive CFLAGS/CXXFLAGS."
- einfo "Particularly, replacing -march=pentium4 by -march=pentium3"
- einfo "might help if you encounter problems with correlation "
- einfo "consistent basis sets."
- echo
-}
diff --git a/sci-chemistry/mpqc/mpqc-2.3.1-r2.ebuild b/sci-chemistry/mpqc/mpqc-2.3.1-r2.ebuild
deleted file mode 100644
index c2776b711a1d..000000000000
--- a/sci-chemistry/mpqc/mpqc-2.3.1-r2.ebuild
+++ /dev/null
@@ -1,102 +0,0 @@
-# Copyright 1999-2013 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=2
-
-inherit autotools eutils toolchain-funcs
-
-DESCRIPTION="The Massively Parallel Quantum Chemistry Program"
-HOMEPAGE="http://www.mpqc.org/"
-SRC_URI="mirror://sourceforge/mpqc/${P}.tar.bz2"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~ppc ~ppc64 x86"
-IUSE="doc mpi threads tk"
-
-RDEPEND="
- virtual/blas
- virtual/lapack
- mpi? ( virtual/mpi[cxx] )
- tk? ( dev-lang/tk )"
-DEPEND="${RDEPEND}
- dev-lang/perl
- sys-devel/flex
- sys-apps/sed
- virtual/pkgconfig
- doc? (
- app-doc/doxygen
- media-gfx/graphviz )"
-
-src_prepare() {
- epatch \
- "${FILESDIR}"/${P}-as-needed.patch \
- "${FILESDIR}"/${P}-respect-ldflags.patch \
- "${FILESDIR}"/${P}-test-failure-hack.patch
- # do not install tkmolrender if not requested
- if ! use tk; then
- sed \
- -e "s:.*/bin/molrender/tkmolrender.*::" \
- -e "s:.*\$(INSTALLBINOPT) tkmolrender.*::" \
- -e "s:/bin/rm -f tkmolrender::" \
- -i "./src/bin/molrender/Makefile" \
- || die "failed to disable tkmolrender"
- fi
- eautoreconf
-}
-
-src_configure() {
- tc-export CC CXX
- if use mpi; then
- export CC=mpicc
- export CXX=mpicxx
- fi
- econf \
- $(use_enable threads) \
- $(use_enable mpi parallel) \
- --enable-shared \
- ${myconf}
-
- sed \
- -e "s:^CFLAGS =.*$:CFLAGS=${CFLAGS}:" \
- -e "s:^FFLAGS =.*$:FFLAGS=${FFLAGS:- -O2}:" \
- -e "s:^CXXFLAGS =.*$:CXXFLAGS=${CXXFLAGS}:" \
- lib/LocalMakefile
-}
-
-src_test() {
- cd "${S}"/src/bin/mpqc/validate
-
- # we'll only run the small test set, since the
- # medium and large ones take >10h and >24h on my
- # 1.8Ghz P4M
- emake -j1 check0 || die "failed in test routines"
-}
-
-src_install() {
- emake installroot="${D}" install install_devel install_inc \
- || die "install failed"
-
- dodoc CHANGES CITATION README || die "failed to install docs"
-
- # make extended docs
- if use doc; then
- cd "${S}"/doc
- emake -j1 all || die "failed to generate documentation"
- doman man/man1/* man/man3/* || \
- die "failed to install man pages"
- dohtml -r html/
- fi
-}
-
-pkg_postinst() {
- echo
- einfo "MPQC can be picky with regard to compilation flags."
- einfo "If during mpqc runs you have trouble converging or "
- einfo "experience oscillations during SCF interations, "
- einfo "consider recompiling with less aggressive CFLAGS/CXXFLAGS."
- einfo "Particularly, replacing -march=pentium4 by -march=pentium3"
- einfo "might help if you encounter problems with correlation "
- einfo "consistent basis sets."
- echo
-}
diff --git a/sci-chemistry/mpqc/mpqc-2.3.1-r3.ebuild b/sci-chemistry/mpqc/mpqc-2.3.1-r3.ebuild
deleted file mode 100644
index b53abbdc26cb..000000000000
--- a/sci-chemistry/mpqc/mpqc-2.3.1-r3.ebuild
+++ /dev/null
@@ -1,106 +0,0 @@
-# Copyright 1999-2013 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=4
-
-AUTOTOOLS_AUTORECONF=yes
-
-inherit autotools-utils toolchain-funcs
-
-DESCRIPTION="The Massively Parallel Quantum Chemistry Program"
-HOMEPAGE="http://www.mpqc.org/"
-SRC_URI="mirror://sourceforge/mpqc/${P}.tar.bz2"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 ppc ppc64 x86"
-IUSE="doc mpi threads static-libs tk"
-
-RDEPEND="
- virtual/blas
- virtual/lapack
- mpi? ( virtual/mpi[cxx] )
- tk? ( dev-lang/tk )"
-DEPEND="${RDEPEND}
- dev-lang/perl
- sys-devel/flex
- sys-apps/sed
- virtual/pkgconfig
- doc? (
- app-doc/doxygen
- media-gfx/graphviz )"
-
-PATCHES=(
- "${FILESDIR}"/${P}-as-needed.patch
- "${FILESDIR}"/${P}-respect-ldflags.patch
- "${FILESDIR}"/${P}-test-failure-hack.patch
- "${FILESDIR}"/${P}-blas.patch
- )
-
-AUTOTOOLS_IN_SOURCE_BUILD=1
-
-DOCS=(CHANGES CITATION README)
-
-src_prepare() {
- # do not install tkmolrender if not requested
- if ! use tk; then
- sed \
- -e "s:.*/bin/molrender/tkmolrender.*::" \
- -e "s:.*\$(INSTALLBINOPT) tkmolrender.*::" \
- -e "s:/bin/rm -f tkmolrender::" \
- -i "./src/bin/molrender/Makefile" \
- || die "failed to disable tkmolrender"
- fi
- autotools-utils_src_prepare
-}
-
-src_configure() {
- tc-export CC CXX
- if use mpi; then
- export CC=mpicc
- export CXX=mpicxx
- fi
- local myeconfargs=(
- $(use_enable threads)
- $(use_enable mpi parallel) )
-
- autotools-utils_src_configure
- sed \
- -e "s:^CFLAGS =.*$:CFLAGS=${CFLAGS}:" \
- -e "s:^FFLAGS =.*$:FFLAGS=${FFLAGS:- -O2}:" \
- -e "s:^CXXFLAGS =.*$:CXXFLAGS=${CXXFLAGS}:" \
- -i lib/LocalMakefile || die
-}
-
-src_test() {
- cd "${AUTOTOOLS_BUILD_DIR}"/src/bin/mpqc/validate
-
- # we'll only run the small test set, since the
- # medium and large ones take >10h and >24h on my
- # 1.8Ghz P4M
- emake -j1 check1
-}
-
-src_install() {
- autotools-utils_src_install installroot="${D}" install install_devel install_inc
-
- # make extended docs
- if use doc; then
- cd "${AUTOTOOLS_BUILD_DIR}"/doc
- emake -j1 all
- doman man/man1/* man/man3/*
- dohtml -r html
- fi
-}
-
-pkg_postinst() {
- echo
- einfo "MPQC can be picky with regard to compilation flags."
- einfo "If during mpqc runs you have trouble converging or "
- einfo "experience oscillations during SCF interations, "
- einfo "consider recompiling with less aggressive CFLAGS/CXXFLAGS."
- einfo "Particularly, replacing -march=pentium4 by -march=pentium3"
- einfo "might help if you encounter problems with correlation "
- einfo "consistent basis sets."
- echo
-}