[gentoo-commits] proj/sci:master commit in: sci-chemistry/openbabel/

[Reinis Danne]

commit:     2f0f40fce0d6086339373a4a78cce3615904f619
Author:     Reinis Danne <rei4dan <AT> gmail <DOT> com>
AuthorDate: Tue Sep 24 18:41:59 2013 +0000
Commit:     Reinis Danne <rei4dan <AT> gmail <DOT> com>
CommitDate: Thu Sep 26 20:25:20 2013 +0000
URL:        http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=2f0f40fc

sci-chemistry/openbabel: Add live ebuild

---
 sci-chemistry/openbabel/ChangeLog             | 10 +++
 sci-chemistry/openbabel/metadata.xml          | 20 ++++++
 sci-chemistry/openbabel/openbabel-9999.ebuild | 87 +++++++++++++++++++++++++++
 3 files changed, 117 insertions(+)

diff --git a/sci-chemistry/openbabel/ChangeLog b/sci-chemistry/openbabel/ChangeLog
new file mode 100644
index 0000000..be72d72
--- /dev/null
+++ b/sci-chemistry/openbabel/ChangeLog
@@ -0,0 +1,10 @@
+# ChangeLog for sci-chemistry/openbabel
+# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
+# $Header: $
+
+*openbabel-9999 (24 Sep 2013)
+
+  24 Sep 2013; Reinis Danne <rei4dan@×××××.com> +openbabel-9999.ebuild,
+  +metadata.xml:
+  Add live ebuild with Java, Perl, Python and Ruby bindings.
+

diff --git a/sci-chemistry/openbabel/metadata.xml b/sci-chemistry/openbabel/metadata.xml
new file mode 100644
index 0000000..f0fb5ee
--- /dev/null
+++ b/sci-chemistry/openbabel/metadata.xml
@@ -0,0 +1,20 @@
+<?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 dicumentation.</flag>
+      <flag name="openmp">Enable parallelization using OpenMP.</flag>
+      <flag name="java">Install Java bindings.</flag>
+      <flag name="perl">Install Perl bindings.</flag>
+      <flag name="python">Install Python bindings and PyBel.</flag>
+      <flag name="ruby">Install Ruby bindings.</flag>
+      <flag name="wxwidgets">Build Open Babel GUI.</flag>
+    </use>
+</pkgmetadata>

diff --git a/sci-chemistry/openbabel/openbabel-9999.ebuild b/sci-chemistry/openbabel/openbabel-9999.ebuild
new file mode 100644
index 0000000..d57d78d
--- /dev/null
+++ b/sci-chemistry/openbabel/openbabel-9999.ebuild
@@ -0,0 +1,87 @@
+# Copyright 1999-2013 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 git-2 wxwidgets
+
+DESCRIPTION="Interconverts file formats used in molecular modeling"
+HOMEPAGE="http://openbabel.sourceforge.net/"
+EGIT_REPO_URI="https://github.com/openbabel/openbabel.git"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS=""
+IUSE="doc java openmp perl python ruby test 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
+	doc? ( app-doc/doxygen )"
+PDEPEND="
+	java? ( sci-chemistry/openbabel-java )
+	perl? ( sci-chemistry/openbabel-perl )
+	python? ( sci-chemistry/openbabel-python )
+	ruby? ( sci-chemistry/openbabel-ruby )"
+
+DOCS="AUTHORS ChangeLog NEWS README THANKS doc/*.inc doc/README* doc/*.mol2"
+
+pkg_setup() {
+	if use openmp; then
+		if [[ $(tc-getCC) == *gcc ]] && ! tc-has-openmp; then
+			ewarn "OpenMP is not available in your current selected gcc"
+			die "need openmp capable gcc"
+		fi
+		FORTRAN_NEED_OPENMP=1
+	fi
+}
+
+src_configure() {
+	local mycmakeargs=""
+	mycmakeargs="${mycmakeargs}
+		-DOPENBABEL_USE_SYSTEM_INCHI=ON
+		$(cmake-utils_use_enable openmp OPENMP)
+		$(cmake-utils_use wxwidgets BUILD_GUI)"
+
+	cmake-utils_src_configure
+}
+
+src_test() {
+	local mycmakeargs=""
+	mycmakeargs="${mycmakeargs}
+		-DOPENBABEL_USE_SYSTEM_INCHI=ON
+		-DPYTHON_EXECUTABLE=false
+		$(cmake-utils_use wxwidgets BUILD_GUI)
+		$(cmake-utils_use_enable openmp OPENMP)
+		$(cmake-utils_use_enable test TESTS)"
+
+	cmake-utils_src_configure
+	cmake-utils_src_compile
+	cmake-utils_src_test -E py
+}
+
+src_install() {
+	dohtml doc/{*.html,*.png}
+	if use doc ; then
+		insinto /usr/share/doc/${PF}/API/html
+		doins doc/API/html/*
+	fi
+	cmake-utils_src_install
+
+	# Ensure that modules are allways in openbabel/${PV}
+	pushd "${ED}/usr/$(get_libdir)/openbabel"
+	ver=$(ls -d * | grep -E '([0-9]+[.]){2}[0-9]+')
+	if [ "${ver}" != "${PV}" ] ; then
+		ln -s ${ver} ${PV}
+	fi
+	popd
+}