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| -rw-r--r-- | sci-chemistry/openbabel/ChangeLog | 10 | ||||
| -rw-r--r-- | sci-chemistry/openbabel/metadata.xml | 20 | ||||
| -rw-r--r-- | sci-chemistry/openbabel/openbabel-9999.ebuild | 87 |
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 +} |