openbabel: Version bump to 2.3.2

5 files changed, 125 insertions, 0 deletions

diff --git a/sci-chemistry/openbabel/ChangeLog b/sci-chemistry/openbabel/ChangeLog
new file mode 100644
index 000000000..fc85dc342
--- /dev/null
+++ b/sci-chemistry/openbabel/ChangeLog
@@ -0,0 +1,10 @@
+# ChangeLog for sci-chemistry/openbabel
+# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
+# $Header: $
+
+*openbabel-2.3.2 (19 Oct 2012)
+
+  19 Oct 2012; Reinis Danne <rei4dan@gmail.com> +openbabel-2.3.2.ebuild,
+  +files/openbabel-2.3.2-test_lib_path.patch, +metadata.xml:
+  Bump to 2.3.2.
+
diff --git a/sci-chemistry/openbabel/Manifest b/sci-chemistry/openbabel/Manifest
new file mode 100644
index 000000000..082e5b029
--- /dev/null
+++ b/sci-chemistry/openbabel/Manifest
@@ -0,0 +1 @@
+DIST openbabel-2.3.2.tar.gz 20509105 SHA256 4eaca26679aa6cc85ebf96af19191472ac63ca442c36b0427b369c3a25705188 SHA512 d0e1f8b758ffdd65ec6c31d988bffe3279355e286ce69fad12c5905b3b832e2b73ee95b1061b1576aba1ee9fe4da5e31ec30350c473be17493c657dc80caf919 WHIRLPOOL 74eff18b73d24c8f702e5573a58ba6afba8402e9ce8782de95dc0568575a7d2d632dbc8e8a98b3cd25efdfa7379494f7dcd449342c81ddf73f42a387bce77aaa
diff --git a/sci-chemistry/openbabel/files/openbabel-2.3.2-test_lib_path.patch b/sci-chemistry/openbabel/files/openbabel-2.3.2-test_lib_path.patch
new file mode 100644
index 000000000..1354f5268
--- /dev/null
+++ b/sci-chemistry/openbabel/files/openbabel-2.3.2-test_lib_path.patch
@@ -0,0 +1,27 @@
+diff -ru old/openbabel-2.3.0/test/CMakeLists.txt new/openbabel-2.3.0/test/CMakeLists.txt
+--- old/openbabel-2.3.0/test/CMakeLists.txt	2010-10-26 17:39:01.000000000 +0300
++++ new/openbabel-2.3.0/test/CMakeLists.txt	2010-11-14 18:13:32.000000000 +0200
+@@ -2,7 +2,7 @@
+ add_definitions(-DTESTDATADIR="\\"${CMAKE_SOURCE_DIR}/test/files/\\"")
+ 
+ # define FORMATDIR for location of format plugin binaries
+-add_definitions(-DFORMATDIR="\\"${openbabel_BINARY_DIR}/lib/\\"")
++add_definitions(-DFORMATDIR="\\"${openbabel_BINARY_DIR}/lib${LIB_SUFFIX}/\\"")
+ 
+ ###########################################################
+ #  new tests using obtest.h
+@@ -32,12 +35,12 @@ set(tests
+     uniqueid
+   )
+ 
+-if (EIGEN2_FOUND)
++if(EIGEN2_FOUND OR EIGEN3_FOUND)
+ set(tests
+         align
+         ${tests}
+ )
+-endif (EIGEN2_FOUND)
++endif()
+ 
+ set(TEST_PATH ${CMAKE_RUNTIME_OUTPUT_DIRECTORY})
+ 
diff --git a/sci-chemistry/openbabel/metadata.xml b/sci-chemistry/openbabel/metadata.xml
new file mode 100644
index 000000000..aa1be0d68
--- /dev/null
+++ b/sci-chemistry/openbabel/metadata.xml
@@ -0,0 +1,18 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+	<herd>sci-chemistry</herd>
+	<longdescription>
+    Open Babel 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.
+  </longdescription>
+	<use>
+		<flag name="doc">Install API documentation.</flag>
+		<flag name="openmp">Enable OpenMP support.</flag>
+		<flag name="perl">Install Perl bindings.</flag>
+		<flag name="python">Install Python bindings.</flag>
+		<flag name="wxwidgets">Build OB GUI.</flag>
+	</use>
+</pkgmetadata>
diff --git a/sci-chemistry/openbabel/openbabel-2.3.2.ebuild b/sci-chemistry/openbabel/openbabel-2.3.2.ebuild
new file mode 100644
index 000000000..a44d835aa
--- /dev/null
+++ b/sci-chemistry/openbabel/openbabel-2.3.2.ebuild
@@ -0,0 +1,69 @@
+# Copyright 1999-2012 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI=5
+
+WX_GTK_VER="2.8"
+
+inherit cmake-utils eutils wxwidgets
+
+DESCRIPTION="Interconverts file formats used in molecular modeling"
+HOMEPAGE="http://openbabel.sourceforge.net/"
+SRC_URI="mirror://sourceforge/openbabel/${P}.tar.gz"
+
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux ~ppc-macos"
+SLOT="0"
+LICENSE="GPL-2"
+IUSE="doc openmp perl python wxwidgets"
+
+RDEPEND="
+	dev-cpp/eigen:=
+	dev-libs/libxml2:2
+	!sci-chemistry/babel
+	sci-libs/inchi
+	sys-libs/zlib
+	wxwidgets? ( x11-libs/wxGTK:2.8[X] )"
+DEPEND="${RDEPEND}
+	>=dev-util/cmake-2.4.8"
+PDEPEND="
+	perl? ( sci-chemistry/openbabel-perl )
+	python? ( sci-chemistry/openbabel-python )"
+
+DOCS="AUTHORS ChangeLog NEWS README THANKS doc/*.inc doc/README* doc/*.mol2"
+
+PATCHES=( "${FILESDIR}"/${P}-test_lib_path.patch )
+
+src_configure() {
+	local mycmakeargs=""
+	mycmakeargs="${mycmakeargs}
+		-DOPENBABEL_USE_SYSTEM_INCHI=ON
+		$(cmake-utils_use_enable openmp OPENMP)
+		$(cmake-utils_use wxwidgets BUILD_GUI)"
+
+	cmake-utils_src_configure
+}
+
+src_install() {
+	dohtml doc/{*.html,*.png}
+	if use doc ; then
+		insinto /usr/share/doc/${PF}/API/html
+		doins doc/API/html/*
+	fi
+
+	cmake-utils_src_install
+}
+
+src_test() {
+	local mycmakeargs=""
+	mycmakeargs="${mycmakeargs}
+		-DOPENBABEL_USE_SYSTEM_INCHI=ON
+		-DPYTHON_EXECUTABLE=false
+		$(cmake-utils_use_enable openmp OPENMP)
+		$(cmake-utils_use wxwidgets BUILD_GUI)
+		$(cmake-utils_use_enable test TESTS)"
+
+	cmake-utils_src_configure
+	cmake-utils_src_compile
+	cmake-utils_src_test -E py
+}