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authorJustin Lecher <jlec@gentoo.org>2015-03-05 11:44:08 +0000
committerJustin Lecher <jlec@gentoo.org>2015-03-05 11:44:08 +0000
commit4517010b2797fd4ccc86e9f2abaa257e4d444a20 (patch)
tree03a497ce5b2f82b8a9ff8969f7cf4ad365212499 /sci-chemistry
parentDrop old; stable latest version (diff)
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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/ChangeLog11
-rw-r--r--sci-chemistry/mopac7/metadata.xml8
-rw-r--r--sci-chemistry/mopac7/mopac7-1.10-r1.ebuild54
-rw-r--r--sci-chemistry/mopac7/mopac7-1.15-r1.ebuild66
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
+}