diff options
| -rw-r--r-- | sci-chemistry/relax/ChangeLog | 8 | ||||
| -rw-r--r-- | sci-chemistry/relax/files/relax-3.2.2-gentoo.patch | 28 | ||||
| -rw-r--r-- | sci-chemistry/relax/relax-3.2.2.ebuild | 71 |
3 files changed, 106 insertions, 1 deletions
diff --git a/sci-chemistry/relax/ChangeLog b/sci-chemistry/relax/ChangeLog index 035e48b9b6ec..a7667b9b113a 100644 --- a/sci-chemistry/relax/ChangeLog +++ b/sci-chemistry/relax/ChangeLog @@ -1,6 +1,12 @@ # 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 1.24 2014/05/26 07:40:57 jlec Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/relax/ChangeLog,v 1.25 2014/06/06 08:10:14 jlec Exp $ + +*relax-3.2.2 (06 Jun 2014) + + 06 Jun 2014; Justin Lecher <jlec@gentoo.org> +relax-3.2.2.ebuild, + +files/relax-3.2.2-gentoo.patch: + Version Bump *relax-3.2.1 (26 May 2014) diff --git a/sci-chemistry/relax/files/relax-3.2.2-gentoo.patch b/sci-chemistry/relax/files/relax-3.2.2-gentoo.patch new file mode 100644 index 000000000000..bfe7a26be096 --- /dev/null +++ b/sci-chemistry/relax/files/relax-3.2.2-gentoo.patch @@ -0,0 +1,28 @@ + sconstruct | 7 ++++++- + 1 file changed, 6 insertions(+), 1 deletion(-) + +diff --git a/sconstruct b/sconstruct +index 511a6dd..fc2d6de 100644 +--- a/sconstruct ++++ b/sconstruct +@@ -25,7 +25,7 @@ + + + # Import statements. +-from os import F_OK, access, getcwd, path, remove, rmdir, sep, walk ++from os import F_OK, access, getcwd, path, remove, rmdir, sep, walk, environ + import platform + from re import search + from shutil import rmtree +@@ -630,6 +630,11 @@ class Main: + for file in files: + nodes.append(env.SharedObject(dir + path.sep + file, CCFLAGS=cflags)) + ++ env.Append(LINKFLAGS = environ['LDFLAGS']) ++ env.Append(CFLAGS = environ['CFLAGS']) ++ env.Replace(CC = environ['CC']) ++ ++ + # Build the relaxation curve fitting module. + self.relax_fit_object = env.SharedLibrary(target=dir + path.sep + 'relax_fit', source=nodes, SHLIBPREFIX=prefix, SHLIBSUFFIX=suffix) + diff --git a/sci-chemistry/relax/relax-3.2.2.ebuild b/sci-chemistry/relax/relax-3.2.2.ebuild new file mode 100644 index 000000000000..6eab382a73e3 --- /dev/null +++ b/sci-chemistry/relax/relax-3.2.2.ebuild @@ -0,0 +1,71 @@ +# 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-3.2.2.ebuild,v 1.1 2014/06/06 08:10:14 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=" + ${PYTHON_DEPS} + dev-python/matplotlib[${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[${PYTHON_USEDEP}] + >=sci-libs/minfx-1.0.5[${PYTHON_USEDEP}] + sci-libs/scipy[${PYTHON_USEDEP}] + sci-visualization/grace + sci-visualization/opendx + x11-libs/wxGTK:${WX_GTK_VER}[X]" +DEPEND="${RDEPEND} + media-gfx/pngcrush" + +pkg_setup() { + python-single-r1_pkg_setup +} + +src_prepare() { + local png + rm -rf minfx bmrblib || die + epatch \ + "${FILESDIR}"/${P}-gentoo.patch + tc-export CC +} + +src_compile() { + escons +} + +src_test() { + VIRTUALX_COMMAND="${EPYTHON} ./${PN}.py -x --traceback" + virtualmake +} + +src_install() { + dodoc README docs/{CHANGES,COMMITTERS,JOBS,relax.pdf,prompt_screenshot.txt} + + python_moduleinto ${PN} + python_domodule * + + rm ${PN} README || die + + make_wrapper ${PN}-nmr "${EPYTHON} $(python_get_sitedir)/${PN}/${PN}.py $@" +} |