diff options
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/relax/ChangeLog | 7 | ||||
| -rw-r--r-- | sci-chemistry/relax/relax-3.3.2.ebuild | 69 |
2 files changed, 75 insertions, 1 deletions
diff --git a/sci-chemistry/relax/ChangeLog b/sci-chemistry/relax/ChangeLog index 065a8df62162..642a9b060f91 100644 --- a/sci-chemistry/relax/ChangeLog +++ b/sci-chemistry/relax/ChangeLog @@ -1,6 +1,11 @@ # ChangeLog for sci-chemistry/relax # Copyright 1999-2014 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/relax/ChangeLog,v 1.28 2014/10/10 08:19:27 jlec Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/relax/ChangeLog,v 1.29 2014/11/17 08:54:44 jlec Exp $ + +*relax-3.3.2 (17 Nov 2014) + + 17 Nov 2014; Justin Lecher <jlec@gentoo.org> +relax-3.3.2.ebuild: + Version Bump *relax-3.3.1 (10 Oct 2014) diff --git a/sci-chemistry/relax/relax-3.3.2.ebuild b/sci-chemistry/relax/relax-3.3.2.ebuild new file mode 100644 index 000000000000..84a1e60c9a11 --- /dev/null +++ b/sci-chemistry/relax/relax-3.3.2.ebuild @@ -0,0 +1,69 @@ +# Copyright 1999-2014 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/relax/relax-3.3.2.ebuild,v 1.1 2014/11/17 08:54:44 jlec Exp $ + +EAPI=5 + +PYTHON_COMPAT=( python2_7 ) + +WX_GTK_VER="2.9" + +inherit eutils multiprocessing python-single-r1 scons-utils toolchain-funcs wxwidgets virtualx + +DESCRIPTION="Molecular dynamics by NMR data analysis" +HOMEPAGE="http://www.nmr-relax.com/" +SRC_URI="http://download.gna.org/relax/${P}.src.tar.bz2" + +SLOT="0" +LICENSE="GPL-2" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="" + +REQUIRED_USE="${PYTHON_REQUIRED_USE}" + +RDEPEND=" + ${PYTHON_DEPS} + dev-python/Numdifftools[${PYTHON_USEDEP}] + dev-python/matplotlib[${PYTHON_USEDEP}] + dev-python/numpy[${PYTHON_USEDEP}] + dev-python/wxpython:${WX_GTK_VER}[${PYTHON_USEDEP}] + sci-chemistry/molmol + sci-chemistry/pymol[${PYTHON_USEDEP}] + sci-chemistry/vmd + >=sci-libs/bmrblib-1.0.3[${PYTHON_USEDEP}] + >=sci-libs/minfx-1.0.11[${PYTHON_USEDEP}] + sci-libs/scipy[${PYTHON_USEDEP}] + sci-visualization/grace + sci-visualization/opendx + x11-libs/wxGTK:${WX_GTK_VER}[X]" +DEPEND="${RDEPEND} + media-gfx/pngcrush" + +pkg_setup() { + python-single-r1_pkg_setup +} + +src_prepare() { + rm -rf minfx bmrblib extern/numdifftools || die + tc-export CC +} + +src_compile() { + escons +} + +src_test() { + VIRTUALX_COMMAND="${EPYTHON} ./${PN}.py -x --traceback" + virtualmake +} + +src_install() { + dodoc README docs/{CHANGES,COMMITTERS,JOBS,relax.pdf} + + python_moduleinto ${PN} + python_domodule * + + rm ${PN} README || die + + make_wrapper ${PN}-nmr "${EPYTHON} $(python_get_sitedir)/${PN}/${PN}.py $@" +} |