From 5cfef3c94cd7e82136c69a0322f5ba21f7e64632 Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Thu, 19 Apr 2018 14:14:48 +0100 Subject: gentoo resync : 19.04.2018 --- sci-chemistry/mpqc/Manifest | 3 - sci-chemistry/mpqc/mpqc-2.3.1-r1.ebuild | 92 --------------------------- sci-chemistry/mpqc/mpqc-2.3.1-r2.ebuild | 102 ------------------------------ sci-chemistry/mpqc/mpqc-2.3.1-r3.ebuild | 106 -------------------------------- 4 files changed, 303 deletions(-) delete mode 100644 sci-chemistry/mpqc/mpqc-2.3.1-r1.ebuild delete mode 100644 sci-chemistry/mpqc/mpqc-2.3.1-r2.ebuild delete mode 100644 sci-chemistry/mpqc/mpqc-2.3.1-r3.ebuild (limited to 'sci-chemistry/mpqc') 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 -} -- cgit v1.2.3