sci-chemistry/relax: Version BUmp

Package-Manager: portage-2.2.0_alpha161/cvs/Linux x86_64
Manifest-Sign-Key: 0x70EB7916

5 files changed, 129 insertions, 13 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/Manifest b/sci-chemistry/relax/Manifest
index b21fa602dd4d..a464e269a3d6 100644
--- a/sci-chemistry/relax/Manifest
+++ b/sci-chemistry/relax/Manifest
@@ -2,15 +2,17 @@
 Hash: SHA256
 
 AUX relax-2.1.0-gentoo.patch 910 SHA256 2e85e979fa61e950def08e5a71e0d61662d5d8755a50fa6f4210000760778dbe SHA512 45c537b69b84e67fbadfcc30ae51f8f2d86d897c6187a1008b974899e8464cc638ad21b7e43eb2395887a962dcd6a751e24e4d46fec3639413a90de7fbfb98e6 WHIRLPOOL fd3ffa8d5926586b2d8ff56e3e3e20cf816987a23358e823c39ed4217d53fbea43185c5bcc1abb9bbcb0703e84f1243cbca5db7cb26d432755b488950db72171
+AUX relax-2.2.1-gentoo.patch 1676 SHA256 8c31035e6d9abbca876a5d29ce25abe2a6daf6efb55c23a6436cf687d92e49bb SHA512 9e11f5a802b0b9ed8353fd7125e17b6e14d05495d0951bc7536f652ce39ec8baa57acd6574ff6319dd2a6b6938a5bd0a51b95540e22d907675c3cac5e47b8e6d WHIRLPOOL ccd635d5724c7d2db784d457ef126f424f26bb854bc1b85c8b214aaf0e8589a557dc951354c95961968521c6b536663ff78afdf397fac5e18b6143ab4e86a6be
 DIST relax-2.1.0.src.tar.bz2 22054720 SHA256 e7908dbf774e1eb866f45fc222d14935624ce9fe4453da979d1b6cb7e1204dd4 SHA512 e42fb050097de6c79751477e1b9e8ff76f8d495fae446380785d8bf8a0e384df4837b283d95c6988e9e5a2aec9af54369a53cc5584d233c58448882f07235dd0 WHIRLPOOL 51b62e2515780248345c14e1fd11511e8dba1832c69178dca1afb0784b2d411ddb21d3f305e04216ef8e041ea1ce560a40135617f91a5bb5e94d19c76ec0cab6
+DIST relax-2.2.1.src.tar.bz2 58950056 SHA256 532fabd9f8e3c7503ee9b75f690869898f639526e0b36c858f66faddba6d3831 SHA512 d6bc574d9ff0baed5f08599df585354b2e0aec263adb33773aeec5392bb26efe43d8626cea13e789b2d1346bfe763511882dfe2c3ee8935ae4c9c0955f76ba79 WHIRLPOOL a561c0c25e0642aa9190233e4ed7fb045f7f891c690d662a559cc3e6f1f7da27977fc8e27c0cc27ab3c0b9624ac9bd606ffa6f7cb77e77bef8dae7b88430116d
 EBUILD relax-2.1.0.ebuild 1144 SHA256 8d8955bb6bad56e10a9028ffff89b3c57b64db418cecb893f01b5e04acae20f3 SHA512 bb3e66a8a94d2f4df8eef3b031054656c6ed19f363ae583c1aea82385b68daa462870d530789f852adbc100ff346e1b66b5ee5831ee29841c0b664be0f10b0fd WHIRLPOOL 8bafd92268d8aa3acc650769a378d73ae493b1102a52546e884f2d18b3ba92ee7c35e98e4896e807ad1d72c289fc6fb50a32c7c374896df5c3257ecab37f1414
-MISC ChangeLog 371 SHA256 fc5cbd7631b30f7882068827823bd5bab7a0796d071fa6395a8f35dd4bc479bf SHA512 c9faa810e9ad2b4dd7e9cf5fe112b154285d31df0186f729e112a823d26d69c83f3cfdd1fcde2819e960694cbe9d2ab0432498e47492b88eb33228d1fef25b96 WHIRLPOOL 2a9ae808350d9ebf5cc58d274e41ff14be273c3912812cc23de2de2c9c8db601fab6cbea023863ba513d992790273dfc5fe2eacc5d3581402621b23c8eae032f
-MISC metadata.xml 1309 SHA256 a4efc57396e2e72aefa0b878bcc594ddf36c0836dd541d1368e8a5343a25de29 SHA512 c60a2123c136915a51d383ac99b384c5eab87af3e42d93f433ab1906d71f1b9d37009e85bf6e9c58fb24d98026592cf4c3a6dfc34b1e433e139921e8adfd2d75 WHIRLPOOL 009442176479969658126d69976a2f4198f877d0f44045dbc16a65d9f8315f7f20f8938f22eed570f679cd14aba62c569a2b50b1b879619b2ad2ae7612816811
+EBUILD relax-2.2.1.ebuild 1298 SHA256 37cccca7f3d261e0e7347cac8afa9c262258ccdad4d6eea998083c9f85ef7b22 SHA512 9a361d2a3078a67586f7364315fff0d5e5e14d47678ef0b70f331e2ba6295e3759604cde109317e8e3cdfc822a5e8ef144d3de89bfd50815fdce3020c75288ce WHIRLPOOL 186db443dde2cec598595f2ea7cd0cdbcfc8500552580525de513dcb439babf77cc9bffcfdb867792ccb11fbfaaa0a686909516553799e6432f2c26504497db7
+MISC ChangeLog 532 SHA256 ab519671d8d18fd1576331f0fde5ebc1f6510d8c3102c671769c926ddee9094c SHA512 72f9c98cfff4425209a08f973e47441014e43bb39626e1a4f7061c8e0d720bce48639d93cf41c8e757606d6d3141127b9155ce0695408555c270f65fb730685c WHIRLPOOL 46ea28cfea6f4f3a7ef4902bff6575764e2f5fcae6aae0fe11399dc0f69dd29a93c11dea05c4c20816f05e65164d5a53255f810090d887f78670dc2fca411f6f
+MISC metadata.xml 1315 SHA256 58aef1b2b940b7211a85032dfc7212025aca6a3cd313b1a6e203854bbd3dd03e SHA512 dcb1d935782546693b79aa74dc37d55701ff4cb1756860a7f0d9919534ad2ae6f1dcad20cace867b10297c577cb6444dd5e212b13f57c3d81b30b382d8458c04 WHIRLPOOL e2de7c85fb3494a98c2ee1b08dd06d28676f43f64367ad29a8723f712e12e9052daa82794bb6626506de568701b1ea09efe059a8d3a13f6aee5fd607a913e441
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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 $@"
+}