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Diffstat (limited to 'sci-chemistry/mpqc/mpqc-2.3.0.ebuild')
-rw-r--r-- | sci-chemistry/mpqc/mpqc-2.3.0.ebuild | 104 |
1 files changed, 0 insertions, 104 deletions
diff --git a/sci-chemistry/mpqc/mpqc-2.3.0.ebuild b/sci-chemistry/mpqc/mpqc-2.3.0.ebuild deleted file mode 100644 index 5a2822f1bdd0..000000000000 --- a/sci-chemistry/mpqc/mpqc-2.3.0.ebuild +++ /dev/null @@ -1,104 +0,0 @@ -# Copyright 1999-2006 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/mpqc/mpqc-2.3.0.ebuild,v 1.4 2006/04/11 16:43:40 markusle Exp $ - -inherit fortran - -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" -# Should work on x86, amd64 and ppc, at least -KEYWORDS="~amd64 ~ppc ~ppc64 ~x86" -IUSE="doc threads tcltk" - -DEPEND="sys-devel/flex - virtual/blas - virtual/lapack - dev-lang/perl - >=sys-apps/sed-4 - tcltk? ( dev-lang/tk ) - doc? ( app-doc/doxygen - media-gfx/graphviz )" - -src_unpack() { - unpack ${A} - cd "${S}" - - # do not install tkmolrender if not requested - if ! use tcltk; 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() { - CFLAGS_SAVE=${CFLAGS}; CXXFLAGS_SAVE=${CXXFLAGS} - myconf="${myconf} --prefix=/usr" - - # only shared will work on ppc64 - bug #62124 - if use ppc64; then - myconf="${myconf} --enable-shared" - fi - - econf \ - $(use_enable threads) \ - ${myconf} || die "configure failed" - - sed -i -e "s:^CFLAGS =.*$:CFLAGS=${CFLAGS_SAVE}:" \ - -e "s:^FFLAGS =.*$:FFLAGS=${CFLAGS_SAVE}:" \ - -e "s:^CXXFLAGS =.*$:CXXFLAGS=${CXXFLAGS_SAVE}:" \ - lib/LocalMakefile - emake || die "emake failed" -} - - -src_test() { - cd "${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 - make check0 || die "failed in test routines" -} - - - -src_install() { - make 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 - make all || die "failed to generate documentation" - doman man/man1/* && doman 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 -} - - - - - |