commit: dbdead3cd3bf90ddada5b8e50d0b58596763d298 Author: layman <layman <AT> localhost> AuthorDate: Sat Sep 12 22:49:54 2015 +0000 Commit: Justin Lecher <jlec <AT> gentoo <DOT> org> CommitDate: Sat Sep 12 22:57:31 2015 +0000 URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=dbdead3c
sci-libs/rdkit: initial commit Package-Manager: portage-2.2.20-prefix sci-libs/rdkit/ChangeLog | 10 ++++++++ sci-libs/rdkit/metadata.xml | 12 +++++++++ sci-libs/rdkit/rdkit-2015.03.1.ebuild | 47 +++++++++++++++++++++++++++++++++++ sci-libs/rdkit/rdkit-9999.ebuild | 46 ++++++++++++++++++++++++++++++++++ 4 files changed, 115 insertions(+) diff --git a/sci-libs/rdkit/ChangeLog b/sci-libs/rdkit/ChangeLog new file mode 100644 index 0000000..8a83ba7 --- /dev/null +++ b/sci-libs/rdkit/ChangeLog @@ -0,0 +1,10 @@ +# ChangeLog for sci-libs/rdkit +# Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2 +# $Id$ + +*rdkit-2015.03.1 (12 Sep 2015) +*rdkit-9999 (12 Sep 2015) + + 12 Sep 2015; Michael Schubert <[email protected]> +metadata.xml, + +rdkit-2015.03.1.ebuild, +rdkit-9999.ebuild: + sci-libs/rdkit: initial commit diff --git a/sci-libs/rdkit/metadata.xml b/sci-libs/rdkit/metadata.xml new file mode 100644 index 0000000..cfa0f50 --- /dev/null +++ b/sci-libs/rdkit/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> + <maintainer> + <email>[email protected]</email> + <name>Michael Schubert</name> + </maintainer> + <upstream> + <remote-id type="github">rdkit/rdkit</remote-id> + </upstream> +</pkgmetadata> diff --git a/sci-libs/rdkit/rdkit-2015.03.1.ebuild b/sci-libs/rdkit/rdkit-2015.03.1.ebuild new file mode 100644 index 0000000..e98b017 --- /dev/null +++ b/sci-libs/rdkit/rdkit-2015.03.1.ebuild @@ -0,0 +1,47 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +PYTHON_COMPAT=( python{2_7,3_3,3_4} ) + +inherit cmake-utils python-r1 + +DESCRIPTION="Cheminformatics and machine-learning software written in C++ and Python" +HOMEPAGE="http://www.rdkit.org/"; +SRC_URI="https://github.com/rdkit/rdkit/archive/Release_${PV//./_}.tar.gz -> ${P}.tar.gz" + +LICENSE="BSD" +SLOT="0" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="+python -static-libs" +REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" + +RDEPEND="dev-libs/boost + python? ( + dev-libs/boost[${PYTHON_USEDEP}] + dev-python/numpy[${PYTHON_USEDEP}] + ) + >=dev-db/sqlite-3" +DEPEND="${RDEPEND}" + +S="${WORKDIR}"/rdkit-Release_${PV//./_} + +src_configure() { + local mycmakeargs=( + -DCMAKE_INSTALL_PREFIX:PATH="${EPREFIX}"/usr + -DRDK_INSTALL_INTREE=0 + -DRDK_BUILD_CPP_TESTS=OFF + ) + + if ! use static-libs; then + mycmakeargs+=( -DRDK_INSTALL_STATIC_LIBS=OFF ) + fi + + if ! use python; then + mycmakeargs+=( RDK_BUILD_PYTHON_WRAPPERS= ) + fi + + cmake-utils_src_configure +} diff --git a/sci-libs/rdkit/rdkit-9999.ebuild b/sci-libs/rdkit/rdkit-9999.ebuild new file mode 100644 index 0000000..dfa196f --- /dev/null +++ b/sci-libs/rdkit/rdkit-9999.ebuild @@ -0,0 +1,46 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +PYTHON_COMPAT=( python{2_7,3_3,3_4} ) + +inherit cmake-utils python-r1 git-r3 + +DESCRIPTION="Cheminformatics and machine-learning software written in C++ and Python" +HOMEPAGE="http://www.rdkit.org/"; +SRC_URI="" +EGIT_REPO_URI="https://github.com/rdkit/rdkit.git"; + +LICENSE="BSD" +SLOT="0" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="+python -static-libs" +REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" + +RDEPEND="dev-libs/boost + python? ( + dev-libs/boost[${PYTHON_USEDEP}] + dev-python/numpy[${PYTHON_USEDEP}] + ) + >=dev-db/sqlite-3" +DEPEND="${RDEPEND}" + +src_configure() { + local mycmakeargs=( + -DCMAKE_INSTALL_PREFIX:PATH="${EPREFIX}"/usr + -DRDK_INSTALL_INTREE=0 + -DRDK_BUILD_CPP_TESTS=OFF + ) + + if ! use static-libs; then + mycmakeargs+=( -DRDK_INSTALL_STATIC_LIBS=OFF ) + fi + + if ! use python; then + mycmakeargs+=( RDK_BUILD_PYTHON_WRAPPERS= ) + fi + + cmake-utils_src_configure +}
