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authorReinis Danne <rei4dan@gmail.com>2013-09-24 21:41:59 +0300
committerReinis Danne <rei4dan@gmail.com>2013-09-26 23:25:20 +0300
commit2f0f40fce0d6086339373a4a78cce3615904f619 (patch)
tree775bda16af586812bf3c2e77035408b81fd6803e
parentsci-physics/abinit-7.4.2 finally made to actually build and install (tests ha... (diff)
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sci-chemistry/openbabel: Add live ebuild
-rw-r--r--sci-chemistry/openbabel/ChangeLog10
-rw-r--r--sci-chemistry/openbabel/metadata.xml20
-rw-r--r--sci-chemistry/openbabel/openbabel-9999.ebuild87
3 files changed, 117 insertions, 0 deletions
diff --git a/sci-chemistry/openbabel/ChangeLog b/sci-chemistry/openbabel/ChangeLog
new file mode 100644
index 000000000..be72d72b1
--- /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@gmail.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 000000000..f0fb5eeb9
--- /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 000000000..d57d78d8e
--- /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
+}