diff options
| -rw-r--r-- | sci-chemistry/relax/ChangeLog | 10 | ||||
| -rw-r--r-- | sci-chemistry/relax/files/relax-2.2.1-gentoo.patch | 49 | ||||
| -rw-r--r-- | sci-chemistry/relax/metadata.xml | 10 | ||||
| -rw-r--r-- | sci-chemistry/relax/relax-2.2.1.ebuild | 59 |
4 files changed, 121 insertions, 7 deletions
diff --git a/sci-chemistry/relax/ChangeLog b/sci-chemistry/relax/ChangeLog index 557f781a3ed9..df31c81ee3cd 100644 --- a/sci-chemistry/relax/ChangeLog +++ b/sci-chemistry/relax/ChangeLog @@ -1,6 +1,12 @@ # ChangeLog for sci-chemistry/relax -# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/relax/ChangeLog,v 1.1 2012/07/19 16:05:51 jlec Exp $ +# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/relax/ChangeLog,v 1.2 2013/02/04 07:57:56 jlec Exp $ + +*relax-2.2.1 (04 Feb 2013) + + 04 Feb 2013; Justin Lecher <jlec@gentoo.org> +relax-2.2.1.ebuild, + +files/relax-2.2.1-gentoo.patch, metadata.xml: + Version BUmp *relax-2.1.0 (19 Jul 2012) diff --git a/sci-chemistry/relax/files/relax-2.2.1-gentoo.patch b/sci-chemistry/relax/files/relax-2.2.1-gentoo.patch new file mode 100644 index 000000000000..073a46eb386d --- /dev/null +++ b/sci-chemistry/relax/files/relax-2.2.1-gentoo.patch @@ -0,0 +1,49 @@ + scons/install.py | 10 ---------- + sconstruct | 6 +++++- + 2 files changed, 5 insertions(+), 11 deletions(-) + +diff --git a/scons/install.py b/scons/install.py +index b2d355a..d7c7911 100644 +--- a/scons/install.py ++++ b/scons/install.py +@@ -109,16 +109,6 @@ def install(target, source, env): + symlink(env['RELAX_PATH'] + sep + 'relax', env['SYMLINK']) + + +- # Byte compile. +- ############### +- +- # Run relax to create the *.pyc files. +- print("\nCreating the byte-compiled *.pyc files.") +- python_path = sys.prefix + path.sep + 'bin' + path.sep + 'python' + `sys.version_info[0]` + '.' + `sys.version_info[1]` +- cmd = "cd %s; %s -m compileall . ; %s -O -m compileall ." % (env['RELAX_PATH'], python_path, python_path) +- print(cmd) +- system(cmd) +- + # Final printout. + print("\n\n\n") + +diff --git a/sconstruct b/sconstruct +index 8e968cd..8e7d949 100644 +--- a/sconstruct ++++ b/sconstruct +@@ -26,7 +26,7 @@ + + # Import statements. + from numpy import get_include +-from os import getcwd, path, remove, rmdir, sep, walk ++from os import getcwd, path, remove, rmdir, sep, walk, environ + import platform + from re import search + from shutil import rmtree +@@ -596,6 +596,10 @@ 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/metadata.xml b/sci-chemistry/relax/metadata.xml index b1c325bde991..617e574f7c34 100644 --- a/sci-chemistry/relax/metadata.xml +++ b/sci-chemistry/relax/metadata.xml @@ -1,11 +1,11 @@ <?xml version="1.0" encoding="UTF-8"?> <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> <pkgmetadata> - <herd>sci-chemistry</herd> - <maintainer> - <email>jlec@gentoo.org</email> - </maintainer> - <longdescription> + <herd>sci-chemistry</herd> + <maintainer> + <email>jlec@gentoo.org</email> + </maintainer> + <longdescription> The program relax is a software package designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It diff --git a/sci-chemistry/relax/relax-2.2.1.ebuild b/sci-chemistry/relax/relax-2.2.1.ebuild new file mode 100644 index 000000000000..999a43b65adb --- /dev/null +++ b/sci-chemistry/relax/relax-2.2.1.ebuild @@ -0,0 +1,59 @@ +# Copyright 1999-2013 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/relax/relax-2.2.1.ebuild,v 1.1 2013/02/04 07:57:56 jlec Exp $ + +EAPI=5 + +PYTHON_COMPAT=( python{2_5,2_6,2_7,3_1,3_2} ) + +WX_GTK_VER="2.8" + +inherit eutils python-single-r1 scons-utils toolchain-funcs wxwidgets + +DESCRIPTION="Molecular dynamics by NMR data analysis" +HOMEPAGE="http://www.nmr-relax.com/" +SRC_URI="http://download.gna.org/relax/${P}.src.tar.bz2" + +SLOT="0" +LICENSE="GPL-2" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="" + +RDEPEND=" + dev-python/numpy[${PYTHON_USEDEP}] + >=sci-libs/bmrblib-1.0.1_pre198[${PYTHON_USEDEP}] + >=sci-libs/minfx-1.0.4_pre98[${PYTHON_USEDEP}] + sci-libs/scipy + x11-libs/wxGTK:2.8[X]" +DEPEND="${RDEPEND}" + +pkg_setup() { + wxwidgets_pkg_setup + python-single-r1_pkg_setup +} + +src_prepare() { + rm -rf minfx bmrblib || die + epatch "${FILESDIR}"/${P}-gentoo.patch + echo true > devel_scripts/byte_compile || die + tc-export CC +} + +src_compile() { + escons +} + +src_test() { + ${EPYTHON} ./${PN}.py -s || die + ${EPYTHON} ./${PN}.py -x || die +} + +src_install() { + dodoc README + rm ${PN} README || die + + python_moduleinto ${PN} + python_domodule * + + make_wrapper ${PN} "${EPYTHON} $(python_get_sitedir)/${PN}/${PN}.py $@" +} |