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-rw-r--r--sci-chemistry/openbabel-python/ChangeLog10
-rw-r--r--sci-chemistry/openbabel-python/Manifest5
-rw-r--r--sci-chemistry/openbabel-python/files/openbabel-python-2.3.1-system_openbabel.patch15
-rw-r--r--sci-chemistry/openbabel-python/metadata.xml12
-rw-r--r--sci-chemistry/openbabel-python/openbabel-python-2.3.1.ebuild53
5 files changed, 95 insertions, 0 deletions
diff --git a/sci-chemistry/openbabel-python/ChangeLog b/sci-chemistry/openbabel-python/ChangeLog
new file mode 100644
index 000000000..0378f5536
--- /dev/null
+++ b/sci-chemistry/openbabel-python/ChangeLog
@@ -0,0 +1,10 @@
+# ChangeLog for sci-chemistry/openbabel-python
+# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
+# $Header: $
+
+*openbabel-python-2.3.1 (10 Nov 2011)
+
+ 10 Nov 2011; Reinis Danne <rei4dan@gmail.com> +openbabel-python-2.3.1.ebuild,
+ +files/openbabel-python-2.3.1-system_openbabel.patch, +metadata.xml:
+ Version bump to 2.3.1
+
diff --git a/sci-chemistry/openbabel-python/Manifest b/sci-chemistry/openbabel-python/Manifest
new file mode 100644
index 000000000..c4084824c
--- /dev/null
+++ b/sci-chemistry/openbabel-python/Manifest
@@ -0,0 +1,5 @@
+AUX openbabel-python-2.3.1-system_openbabel.patch 678 RMD160 4eb8395861f2d66b73cbba2a62eb903e498621d4 SHA1 0307e303fe6f482beaa9394692bba42c41268d60 SHA256 8285d73f9174b90470554acd39f7da3334751d5f300462e77fc42661c0d7b014
+DIST openbabel-2.3.1.tar.gz 20142960 RMD160 da4d240a92942dbf9dcf999187336d69d7ef8f5c SHA1 b2dd1638eaf7e6d350110b1561aeb23b03552846 SHA256 9e2e8bc9af585ee7e4a03720e3d7b82ef567aa17fdeeea48cc213a3035ced7a3
+EBUILD openbabel-python-2.3.1.ebuild 1384 RMD160 38c890a652dd0eb9a6cc0f42eee5d4360607216f SHA1 deb66f3d5b7e8738b0bc77bdb04a563c511d7204 SHA256 3d949873505712757f86866b82f8566eb756bc90c8ab7cbd73d92ee7a3c013db
+MISC ChangeLog 346 RMD160 e4767bf6ef4a017d6ff0dcdb5bb1e1490150111d SHA1 f8bd6b6fb695f1f3ea6e5e17f9ddc8dc71c7b62e SHA256 40d7760adb234dc1f95277e949252d35ce1b02d736a7810c66380f865407b5c2
+MISC metadata.xml 560 RMD160 6d5ce62ea5407a47e18a51f83d560a81838d6a30 SHA1 75d1e8b1ebf062f849060c63300884c270d69550 SHA256 a887acece6be265c9a3c278310f92b9b013b13d7848a7c3d35139c7c023b6381
diff --git a/sci-chemistry/openbabel-python/files/openbabel-python-2.3.1-system_openbabel.patch b/sci-chemistry/openbabel-python/files/openbabel-python-2.3.1-system_openbabel.patch
new file mode 100644
index 000000000..6420bba11
--- /dev/null
+++ b/sci-chemistry/openbabel-python/files/openbabel-python-2.3.1-system_openbabel.patch
@@ -0,0 +1,15 @@
+--- scripts/python/setup.py
++++ scripts/python/setup.py
+@@ -15,11 +15,7 @@
+
+ obExtension = Extension('_openbabel',
+ [os.path.join(srcdir, "openbabel-python.cpp")],
+- include_dirs=[os.path.join(srcdir, "..", "..", "include"),
+- os.path.join("..", "include")],
+- library_dirs=[os.path.join(srcdir, "..", "..", "lib"),
+- os.path.join(srcdir, "..", "..", "lib64"),
+- os.path.join("..", "lib")],
++ include_dirs=[os.path.join("/usr", "include", "openbabel-2.0")],
+ libraries=['openbabel']
+ )
+
diff --git a/sci-chemistry/openbabel-python/metadata.xml b/sci-chemistry/openbabel-python/metadata.xml
new file mode 100644
index 000000000..433cfe800
--- /dev/null
+++ b/sci-chemistry/openbabel-python/metadata.xml
@@ -0,0 +1,12 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+ <herd>sci-chemistry</herd>
+ <longdescription>
+ OpenBabel is a chemical toolbox designed to speak the many languages of
+ chemical data. It's an open, collaborative project allowing anyone to
+ search, convert, analyze, or store data from molecular modeling, chemistry,
+ solid-state materials, biochemistry, or related areas. This package enables
+ to access OpenBabel library from Python programs.
+ </longdescription>
+</pkgmetadata>
diff --git a/sci-chemistry/openbabel-python/openbabel-python-2.3.1.ebuild b/sci-chemistry/openbabel-python/openbabel-python-2.3.1.ebuild
new file mode 100644
index 000000000..0da030f11
--- /dev/null
+++ b/sci-chemistry/openbabel-python/openbabel-python-2.3.1.ebuild
@@ -0,0 +1,53 @@
+# Copyright 1999-2011 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/openbabel-python/openbabel-python-2.3.0.ebuild,v 1.7 2011/09/14 05:06:41 jlec Exp $
+
+EAPI="3"
+
+PYTHON_DEPEND="2"
+SUPPORT_PYTHON_ABIS="1"
+RESTRICT_PYTHON_ABIS="*-jython"
+PYTHON_MODNAME="openbabel.py pybel.py"
+
+inherit distutils eutils flag-o-matic
+
+DESCRIPTION="Python bindings for OpenBabel (including Pybel)"
+HOMEPAGE="http://openbabel.sourceforge.net/"
+SRC_URI="mirror://sourceforge/openbabel/openbabel-${PV}.tar.gz"
+
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+SLOT="0"
+LICENSE="GPL-2"
+IUSE=""
+
+RDEPEND="
+ dev-cpp/eigen:2
+ dev-libs/libxml2:2
+ !sci-chemistry/babel
+ ~sci-chemistry/openbabel-${PV}
+ sys-libs/zlib"
+DEPEND="${RDEPEND}
+ >=dev-lang/swig-2"
+
+S="${WORKDIR}"/openbabel-${PV}
+
+DISTUTILS_SETUP_FILES=("scripts|python/setup.py")
+
+src_prepare() {
+ epatch \
+ "${FILESDIR}"/${P}-system_openbabel.patch
+
+ sed \
+ -e "s:/usr:${EPREFIX}/usr:g" \
+ -i ./scripts/python/setup.py || die
+
+ swig -python -c++ -small -O -templatereduce -naturalvar \
+ -I"${EPREFIX}/usr/include/openbabel-2.0" \
+ -o scripts/python/openbabel-python.cpp \
+ -DHAVE_EIGEN2 \
+ -outdir scripts/python \
+ scripts/openbabel-python.i \
+ || die "Regeneration of openbabel-python.cpp failed"
+
+ append-cxxflags "$(pkg-config --cflags-only-I eigen2)"
+}