diff options
Diffstat (limited to 'sci-chemistry/autodock/autodock-4.2.6.ebuild')
-rw-r--r-- | sci-chemistry/autodock/autodock-4.2.6.ebuild | 102 |
1 files changed, 102 insertions, 0 deletions
diff --git a/sci-chemistry/autodock/autodock-4.2.6.ebuild b/sci-chemistry/autodock/autodock-4.2.6.ebuild new file mode 100644 index 000000000000..10d018292e93 --- /dev/null +++ b/sci-chemistry/autodock/autodock-4.2.6.ebuild @@ -0,0 +1,102 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +PYTHON_COMPAT=( python2_7 ) + +inherit autotools eutils python-any-r1 versionator + +MY_PN="autodocksuite" +MY_P="${MY_PN}-${PV}" + +DESCRIPTION="A suite of automated docking tools" +HOMEPAGE="http://autodock.scripps.edu/" +SRC_URI="http://autodock.scripps.edu/downloads/autodock-registration/tars/dist$(delete_all_version_separators)/${MY_P}-src.tar.gz" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="examples openmp test" + +RDEPEND="" +DEPEND="test? ( ${PYTHON_DEPS} )" + +S="${WORKDIR}/src" + +PATCHES=( + "${FILESDIR}"/${P}-buildsystem.patch +) + +src_prepare() { + local i + + epatch ${PATCHES[@]} + + sed \ + -e "s/\tcsh/\tsh/" \ + -i auto{dock,grid}/Makefile.am || die + for i in autodock autogrid; do + pushd $i &>/dev/null + eautoreconf + popd &>/dev/null + done +} + +src_configure() { + local i + for i in autodock autogrid; do + pushd $i &>/dev/null + econf $(use_enable openmp) + popd &>/dev/null + done +} + +src_compile() { + emake -C autodock + emake -C autogrid +} + +src_test() { + elog "Testing autodock" + cd "${S}/autodock/Tests" || die + cp ../*.dat . || die + ${EPYTHON} test_autodock4.py || die "AutoDock tests failed." + einfo "Testing autogrid" + cd "${S}/autogrid/Tests" || die + ${EPYTHON} test_autogrid4.py || die "AutoGrid tests failed." +} + +src_install() { + if use openmp; then + newbin autodock/autodock4.omp ${PN}4 + dobin autogrid/autogrid4 + else + dobin autodock/autodock4 autogrid/autogrid4 + fi + + insinto /usr/share/${PN} + doins -r \ + autodock/{AD4_parameters.dat,AD4_PARM99.dat} \ + $(usex examples "autodoc/EXAMPLES" "") + + DOCS=( + RELEASENOTES + autodock/{AUTHORS,README} + autodock/USERGUIDES/AutoDock4.{0,1,2}_UserGuide.doc + autodock/USERGUIDES/AutoDock4.2_UserGuide.pdf + ) + einstalldocs +} + +pkg_postinst() { + elog "The AutoDock development team requests all users to fill out the" + elog "registration form at:" + echo + elog "\thttp://autodock.scripps.edu/downloads/autodock-registration" + echo + elog "The number of unique users of AutoDock is used by Prof. Arthur J." + elog "Olson and the Scripps Research Institude to support grant" + elog "applications." +} |