jlec 14/10/24 12:06:43 Modified: ChangeLog Added: pdb2pqr-1.8.0-r1.ebuild Removed: pdb2pqr-1.8.0.ebuild Log: sci-chemistry/pdb2pqr: Create correct wrappers (Portage version: 2.2.14/cvs/Linux x86_64, signed Manifest commit with key B9D4F231BD1558AB!)
Revision Changes Path 1.40 sci-chemistry/pdb2pqr/ChangeLog file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?rev=1.40&view=markup plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?rev=1.40&content-type=text/plain diff : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog?r1=1.39&r2=1.40 Index: ChangeLog =================================================================== RCS file: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v retrieving revision 1.39 retrieving revision 1.40 diff -u -r1.39 -r1.40 --- ChangeLog 24 Oct 2014 11:04:35 -0000 1.39 +++ ChangeLog 24 Oct 2014 12:06:42 -0000 1.40 @@ -1,6 +1,12 @@ # ChangeLog for sci-chemistry/pdb2pqr # Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v 1.39 2014/10/24 11:04:35 jlec Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/ChangeLog,v 1.40 2014/10/24 12:06:42 jlec Exp $ + +*pdb2pqr-1.8.0-r1 (24 Oct 2014) + + 24 Oct 2014; Justin Lecher <[email protected]> -pdb2pqr-1.8.0.ebuild, + +pdb2pqr-1.8.0-r1.ebuild: + Create correct wrappers 24 Oct 2014; Justin Lecher <[email protected]> pdb2pqr-1.8.0.ebuild: optimize py code 1.1 sci-chemistry/pdb2pqr/pdb2pqr-1.8.0-r1.ebuild file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.8.0-r1.ebuild?rev=1.1&view=markup plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.8.0-r1.ebuild?rev=1.1&content-type=text/plain Index: pdb2pqr-1.8.0-r1.ebuild =================================================================== # Copyright 1999-2014 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # $Header: /var/cvsroot/gentoo-x86/sci-chemistry/pdb2pqr/pdb2pqr-1.8.0-r1.ebuild,v 1.1 2014/10/24 12:06:42 jlec Exp $ EAPI=5 PYTHON_COMPAT=( python2_7 ) inherit autotools eutils fortran-2 flag-o-matic python-single-r1 toolchain-funcs versionator MY_PV=$(get_version_component_range 1-2) MY_P="${PN}-${MY_PV}" DESCRIPTION="An automated pipeline for performing Poisson-Boltzmann electrostatics calculations" LICENSE="BSD" HOMEPAGE="http://www.poissonboltzmann.org/"; SRC_URI="mirror://sourceforge/${PN}/${MY_P}.tar.gz" SLOT="0" IUSE="doc examples opal +pdb2pka" KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux" REQUIRED_USE="${PYTHON_REQUIRED_USE}" RDEPEND="${PYTHON_DEPS} dev-python/numpy[${PYTHON_USEDEP}] sci-chemistry/openbabel[python] opal? ( dev-python/zsi[${PYTHON_USEDEP}] ) pdb2pka? ( sci-chemistry/apbs[${PYTHON_USEDEP},-mpi] )" DEPEND="${RDEPEND}" S="${WORKDIR}/${MY_P}" pkg_setup() { if [[ -z ${MAXATOMS} ]]; then einfo "If you like to have support for more then 10000 atoms," einfo "export MAXATOMS=\"your value\"" else einfo "Allow usage of ${MAXATOMS} during calculations" fi fortran-2_pkg_setup python-single-r1_pkg_setup } src_prepare() { rm -rf contrib/* || die epatch \ "${FILESDIR}"/${P}-ldflags.patch \ "${FILESDIR}"/${PN}-1.4.0-automagic.patch \ "${FILESDIR}"/1.7.0-install.patch sed \ -e '50,200s:CWD:DESTDIR:g' \ -i Makefile.am || die eautoreconf tc-export CC } src_configure() { # we need to compile the *.so as pic append-flags -fPIC FFLAGS="${FFLAGS} -fPIC" econf \ --with-max-atoms=${MAXATOMS:-10000} \ --with-python="${PYTHON}" \ $(usex pdb2pka "" --disable-pdb2pka) \ $(use_with opal) \ NUMPY="${EPREFIX}/$(python_get_sitedir)" \ F77="$(tc-getFC)" } src_compile() { default if use doc; then pushd doc > /dev/null sh genpydoc.sh || die "genpydoc failed" popd > /dev/null fi } src_test() { emake -j1 test } src_install() { local lib dodir $(python_get_sitedir)/${PN} emake -j1 \ DESTDIR="${ED}$(python_get_sitedir)/${PN}" \ PREFIX="" install INPATH="$(python_get_sitedir)/${PN}" make_wrapper ${PN} "${PYTHON} /$(python_get_sitedir)/${PN}/${PN}.py" make_wrapper pdb2pka "${PYTHON} /$(python_get_sitedir)/${PN}/pdb2pka/pka.py" for lib in _apbs.so apbslib.py{,c,o}; do dosym /usr/share/apbs/tools/python/${lib} $(python_get_sitedir)/${PN}/pdb2pka/${lib} done if use doc; then pushd doc > /dev/null dohtml -r *.html images pydoc popd > /dev/null fi use examples && \ insinto /usr/share/${PN}/ && \ doins -r examples dodoc ChangeLog NEWS README AUTHORS python_optimize }
