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author | Justin Lecher <jlec@gentoo.org> | 2015-03-05 11:44:08 +0000 |
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committer | Justin Lecher <jlec@gentoo.org> | 2015-03-05 11:44:08 +0000 |
commit | 4517010b2797fd4ccc86e9f2abaa257e4d444a20 (patch) | |
tree | 03a497ce5b2f82b8a9ff8969f7cf4ad365212499 /sci-chemistry | |
parent | Drop old; stable latest version (diff) | |
download | gentoo-2-4517010b2797fd4ccc86e9f2abaa257e4d444a20.tar.gz gentoo-2-4517010b2797fd4ccc86e9f2abaa257e4d444a20.tar.bz2 gentoo-2-4517010b2797fd4ccc86e9f2abaa257e4d444a20.zip |
Drop old; EAPI bump
(Portage version: 2.2.18/cvs/Linux x86_64, signed Manifest commit with key B9D4F231BD1558AB!)
Diffstat (limited to 'sci-chemistry')
-rw-r--r-- | sci-chemistry/mopac7/ChangeLog | 11 | ||||
-rw-r--r-- | sci-chemistry/mopac7/metadata.xml | 8 | ||||
-rw-r--r-- | sci-chemistry/mopac7/mopac7-1.10-r1.ebuild | 54 | ||||
-rw-r--r-- | sci-chemistry/mopac7/mopac7-1.15-r1.ebuild | 66 |
4 files changed, 78 insertions, 61 deletions
diff --git a/sci-chemistry/mopac7/ChangeLog b/sci-chemistry/mopac7/ChangeLog index 033e42232400..d43b80a90898 100644 --- a/sci-chemistry/mopac7/ChangeLog +++ b/sci-chemistry/mopac7/ChangeLog @@ -1,6 +1,12 @@ # ChangeLog for sci-chemistry/mopac7 -# Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/mopac7/ChangeLog,v 1.31 2014/01/03 15:28:32 ulm Exp $ +# Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/mopac7/ChangeLog,v 1.32 2015/03/05 11:44:08 jlec Exp $ + +*mopac7-1.15-r1 (05 Mar 2015) + + 05 Mar 2015; Justin Lecher <jlec@gentoo.org> +mopac7-1.15-r1.ebuild, + -mopac7-1.10-r1.ebuild, metadata.xml: + Drop old; EAPI bump 03 Jan 2014; Ulrich Müller <ulm@gentoo.org> mopac7-1.10-r1.ebuild, mopac7-1.15.ebuild: @@ -138,4 +144,3 @@ +mopac7-1.00.ebuild: Initial commit, ebuild by me. This will be useful for the new ghemical. It's a quite solid semi-empirical package. - diff --git a/sci-chemistry/mopac7/metadata.xml b/sci-chemistry/mopac7/metadata.xml index 99c3f3e5f7e1..839734dd5d8b 100644 --- a/sci-chemistry/mopac7/metadata.xml +++ b/sci-chemistry/mopac7/metadata.xml @@ -1,8 +1,8 @@ <?xml version="1.0" encoding="UTF-8"?> <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> <pkgmetadata> - <herd>sci-chemistry</herd> - <use> - <flag name="gmxmopac7">Add support library for gromacs</flag> - </use> + <herd>sci-chemistry</herd> + <use> + <flag name="gmxmopac7">Add support library for gromacs</flag> + </use> </pkgmetadata> diff --git a/sci-chemistry/mopac7/mopac7-1.10-r1.ebuild b/sci-chemistry/mopac7/mopac7-1.10-r1.ebuild deleted file mode 100644 index e8f090a6d476..000000000000 --- a/sci-chemistry/mopac7/mopac7-1.10-r1.ebuild +++ /dev/null @@ -1,54 +0,0 @@ -# Copyright 1999-2014 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/mopac7/mopac7-1.10-r1.ebuild,v 1.9 2014/01/03 15:28:32 ulm Exp $ - -WANT_AUTOMAKE="1.8" - -inherit autotools fortran-2 - -DESCRIPTION="Autotooled, updated version of a powerful, fast semi-empirical package" -HOMEPAGE="http://sourceforge.net/projects/mopac7/" -SRC_URI="mirror://sourceforge/${PN}/${P}.tgz" - -LICENSE="public-domain" -SLOT="0" -KEYWORDS="~amd64 ppc x86" -IUSE="" - -RDEPEND="dev-libs/libf2c" -DEPEND="${RDEPEND}" - -src_unpack() { - unpack ${A} - cd "${S}" - - # Install the executable - sed -i \ - -e "s:noinst_PROGRAMS = mopac7:bin_PROGRAMS = mopac7:g" \ - src/Makefile.am \ - || die "sed failed: install mopac7" - # Install the script to run the executable - sed -i \ - -e "s:EXTRA_DIST = run_mopac7:if HAVE_F2C\nbin_SCRIPTS = run_mopac7\nendif:g" \ - Makefile.am \ - || die "sed failed: install run_mopac7" - - # Fix parallel build by adding internal dependency on libmopac7.la from - # executable - sed -i \ - -e "s:mopac7_LDFLAGS = -lmopac7 -lf2c -lm:mopac7_LDFLAGS = -lf2c -lm:g" \ - -e "s:\(mopac7_LDFLAGS.*\):\1\nmopac7_LDADD = libmopac7.la:g" \ - src/Makefile.am \ - || die "sed failed: fix dependencies" - - eautoreconf -} - -src_install() { - # A correct fix would have a run_mopac7.in with @bindir@ that gets - # replaced by configure, and run_mopac7 added to AC_OUTPUT in configure.ac - sed -i "s:./src/mopac7:mopac7:g" run_mopac7 - - make DESTDIR="${D}" install || die - dodoc AUTHORS README ChangeLog || die -} diff --git a/sci-chemistry/mopac7/mopac7-1.15-r1.ebuild b/sci-chemistry/mopac7/mopac7-1.15-r1.ebuild new file mode 100644 index 000000000000..e965cad650b4 --- /dev/null +++ b/sci-chemistry/mopac7/mopac7-1.15-r1.ebuild @@ -0,0 +1,66 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/mopac7/mopac7-1.15-r1.ebuild,v 1.1 2015/03/05 11:44:08 jlec Exp $ + +EAPI=5 + +inherit autotools fortran-2 flag-o-matic toolchain-funcs + +DESCRIPTION="Autotooled, updated version of a powerful, fast semi-empirical package" +HOMEPAGE="http://sourceforge.net/projects/mopac7/" +SRC_URI=" + http://www.bioinformatics.org/ghemical/download/current/${P}.tar.gz + http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f + http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f" + +LICENSE="public-domain" +SLOT="0" +KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux" +IUSE="gmxmopac7 static-libs" + +DEPEND="dev-libs/libf2c" +RDEPEND="${DEPEND}" + +src_prepare() { + # Install the executable + sed -i \ + -e "s:noinst_PROGRAMS = mopac7:bin_PROGRAMS = mopac7:g" \ + fortran/Makefile.am \ + || die "sed failed: install mopac7" + # Install the script to run the executable + sed -i \ + -e "s:EXTRA_DIST = autogen.sh run_mopac7:bin_SCRIPTS = run_mopac7:g" \ + Makefile.am \ + || die "sed failed: install run_mopac7" + + eautoreconf + append-fflags -std=legacy -fno-automatic +} + +src_compile() { + emake + if use gmxmopac7; then + einfo "Making mopac7 lib for gromacs" + mkdir "${S}"/fortran/libgmxmopac7 && cd "${S}"/fortran/libgmxmopac7 + cp -f ../SIZES ../*.f "${FILESDIR}"/Makefile . || die + emake clean + cp -f "${DISTDIR}"/gmxmop.f "${DISTDIR}"/dcart.f . || die + sed "s:GENTOOVERSION:${PV}:g" -i Makefile + emake FC=$(tc-getFC) + use static-libs && emake static + fi +} + +src_install() { + # A correct fix would have a run_mopac7.in with @bindir@ that gets + # replaced by configure, and run_mopac7 added to AC_OUTPUT in configure.ac + sed -i "s:./fortran/mopac7:mopac7:g" run_mopac7 || die + + default + + if use gmxmopac7; then + cd "${S}"/fortran/libgmxmopac7 + dolib.so libgmxmopac7.so* + use static-libs && dolib.a libgmxmopac7.a + fi +} |