sci-chemistry/relax: Version Bump

Package-Manager: portage-2.2.7/cvs/Linux x86_64
RepoMan-Options: --force
Manifest-Sign-Key: 0xB9D4F231BD1558AB!

4 files changed, 140 insertions, 6 deletions

diff --git a/sci-chemistry/relax/ChangeLog b/sci-chemistry/relax/ChangeLog
index d57caf86d93e..6678583c8228 100644
--- a/sci-chemistry/relax/ChangeLog
+++ b/sci-chemistry/relax/ChangeLog
@@ -1,6 +1,12 @@
 # ChangeLog for sci-chemistry/relax
 # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/relax/ChangeLog,v 1.5 2013/05/29 16:27:19 jlec Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/relax/ChangeLog,v 1.6 2013/10/22 16:25:31 jlec Exp $
+
+*relax-3.0.1 (22 Oct 2013)
+
+  22 Oct 2013; Justin Lecher <jlec@gentoo.org> +relax-3.0.1.ebuild,
+  +files/relax-3.0.1-gentoo.patch:
+  Version Bump
 
   29 May 2013; Justin Lecher <jlec@gentoo.org> relax-2.2.1.ebuild,
   relax-2.2.5.ebuild:
diff --git a/sci-chemistry/relax/Manifest b/sci-chemistry/relax/Manifest
index 3b46209afc4d..08efac0371ff 100644
--- a/sci-chemistry/relax/Manifest
+++ b/sci-chemistry/relax/Manifest
@@ -3,18 +3,31 @@ Hash: SHA512
 
 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
+AUX relax-3.0.1-gentoo.patch 1645 SHA256 266faa00ccfae77171785800825ec16ad518e0e22ac2ade74154ab01d547fa17 SHA512 6869b5dca42d7428ab177ee3134feded9788d61cf0fe870dd1198039b9f520b4e7e745feae0ba01189f832fd21a6141ca53f8929694d25207f08667b2744606c WHIRLPOOL c74adb00570006e0c515d4b88234044d76ac7ca15e0c1224ed626d05efd71b114abdc8d14196921cf022db55f67fc250bf95a86d339c2052f99672724c1f1366
 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
 DIST relax-2.2.5.src.tar.bz2 59081139 SHA256 1f62d5e3294accab2baee912216d1651d9ec43b8b33d7f8d434c125c200991fe SHA512 bffdde3fd4644e730d41b1a67e1f43f07f6a9426bd9f714aea59a92c2868e5467adc5bc57326e1c8904708b13b13482867e040fc28373d1b5029b577b400895f WHIRLPOOL d3e5817e7de0d9bae830cb195be1d90a83020c544bdb06b31958f07e7b0309189ae48a3f21a12955f457fa86a21c8764b619a62a6d8a966be46bcdd4b5c52a90
+DIST relax-3.0.1.src.tar.bz2 60536002 SHA256 472b0446c3611a06c4f5bbc338e7986e31993f31a4289a2c211fa0510a0566b1 SHA512 0e1cf46324a52363c4ceb18c2817e0d57cf38ea781a213822156601c05aecd56af0fdb39a1e7ff996dd6c20b5d8c8cc6aa27fcbd6082f51d712d5fc843e3fdc6 WHIRLPOOL d9445e76fc70fb57384ea7aa86a672575ca702dd098fe3b37fd494744d75187a62827a72c3ad5253069be4d6e00ea47443e6a13123a911d599bb0ae57713e175
 EBUILD relax-2.1.0.ebuild 1144 SHA256 8d8955bb6bad56e10a9028ffff89b3c57b64db418cecb893f01b5e04acae20f3 SHA512 bb3e66a8a94d2f4df8eef3b031054656c6ed19f363ae583c1aea82385b68daa462870d530789f852adbc100ff346e1b66b5ee5831ee29841c0b664be0f10b0fd WHIRLPOOL 8bafd92268d8aa3acc650769a378d73ae493b1102a52546e884f2d18b3ba92ee7c35e98e4896e807ad1d72c289fc6fb50a32c7c374896df5c3257ecab37f1414
 EBUILD relax-2.2.1.ebuild 1353 SHA256 11099f62e190e06f7dc1e0de1327eea04915797cc6104a4003588fe62ef29c21 SHA512 977b647933c1b3da65307038a9f2212cd57404d352abcb37385d44c4e2b3462e5c1deaabc63dec5a1901dbc8a6511d71627317d5da9e63619dc6470231937245 WHIRLPOOL 266a3321fab77adf0cd547bdf3b8063925e162d8ceccd3db60b6583bb8170d0c69851b90c50fb88a2829cac94d32f2700fc99d02633b7af5d81251948a5ae03c
 EBUILD relax-2.2.5.ebuild 1532 SHA256 e67d978853d6348b05f519d4ca2811651f9be937568211281c2d3ef0b32089ae SHA512 21a7aae6e02c213081a78cf05b186d4345239fc092880cde1b4ee82fb1e3cbb2796ae6c8f595973d66dc9d8b08678de2c4ee35a8ed9129aa6423141c0d3df4fc WHIRLPOOL 73431dd5de123298bad4b28e84664942a5375bd4be53ffd7eeb666780f80f5656385901b460ec39b6241879f3b3b728e2221c0083d14576a060a5c1f2b4c6f8e
-MISC ChangeLog 926 SHA256 a7a5d8471d674d78c1abca19e6a0484c11d019c9eb7d82076802208c82e94d18 SHA512 32c11bb4fb24caa6422ae730834f7460ecde0d26a860cba8a1efb94d99e4cd8b6009695102ed0fdceb3efc86891851f96ff75eb45971f82188d7610ad4cc11c1 WHIRLPOOL 364be7c18cc098bd8684d80b43c60a3707df1a5a80a3b20cfb523bc93cce5d206562a82be0a12cf3cfa886c9e633d3d0ed191b3eab580d8b8a2c3ff9928b72f4
+EBUILD relax-3.0.1.ebuild 1526 SHA256 b6542bdd65e54cf5cfd76f089035abd8abc49d15bb0e22a13e3eb2ca53d96b0a SHA512 6904b80809780bbd6ca57c337055e1e8daee3d070f80512d356eedceb6fbc6d1bb65f5630e721ad04fec00f20f96a4f685a05b3bebcb78c7d310e732ee5fc49b WHIRLPOOL 343e800dbcf4a17b09ddbbf2b2d8031378b6e0c1dc3f053cd95cdd31837d59f77512c34c6844e6ac730d3c5fbfc9baee46ab278e2f5d307bf52dc543c12fbf15
+MISC ChangeLog 1073 SHA256 636458bea7b33e28dc88daa844ba9b04e9f3ea9a10042e7327761dc87151d44e SHA512 428ea7e8907245542d716be4f1d4358b8b262669c1403cac2468a9b418e3959ee22ea3dcf5918114bc12e451007098065abf082c8f3eaad9ee6366c2cadeaf22 WHIRLPOOL b222a0258a26bdfa25455850a735833c1fd3d06bf95a20dc910770851a866062bc4061a102aac218dc982d8cc558cdef1edb2207cc3a72eb85d209e62b6c832d
 MISC metadata.xml 1315 SHA256 58aef1b2b940b7211a85032dfc7212025aca6a3cd313b1a6e203854bbd3dd03e SHA512 dcb1d935782546693b79aa74dc37d55701ff4cb1756860a7f0d9919534ad2ae6f1dcad20cace867b10297c577cb6444dd5e212b13f57c3d81b30b382d8458c04 WHIRLPOOL e2de7c85fb3494a98c2ee1b08dd06d28676f43f64367ad29a8723f712e12e9052daa82794bb6626506de568701b1ea09efe059a8d3a13f6aee5fd607a913e441
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diff --git a/sci-chemistry/relax/files/relax-3.0.1-gentoo.patch b/sci-chemistry/relax/files/relax-3.0.1-gentoo.patch
new file mode 100644
index 000000000000..c9678792544b
--- /dev/null
+++ b/sci-chemistry/relax/files/relax-3.0.1-gentoo.patch
@@ -0,0 +1,48 @@
+ 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
+@@ -26,6 +26,6 @@
+ 
+ # Import statements.
+-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/relax-3.0.1.ebuild b/sci-chemistry/relax/relax-3.0.1.ebuild
new file mode 100644
index 000000000000..5ab58cc9cec3
--- /dev/null
+++ b/sci-chemistry/relax/relax-3.0.1.ebuild
@@ -0,0 +1,67 @@
+# 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-3.0.1.ebuild,v 1.1 2013/10/22 16:25:31 jlec Exp $
+
+EAPI=5
+
+PYTHON_COMPAT=( python2_7 )
+
+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/${P}.src.tar.bz2"
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE=""
+
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
+
+RDEPEND="
+	${PYTHON_DEPS}
+	dev-python/numpy[${PYTHON_USEDEP}]
+	dev-python/wxpython[${PYTHON_USEDEP}]
+	sci-chemistry/molmol
+	sci-chemistry/pymol[${PYTHON_USEDEP}]
+	>=sci-libs/bmrblib-1.0.1_pre198[${PYTHON_USEDEP}]
+	>=sci-libs/minfx-1.0.4_pre98[${PYTHON_USEDEP}]
+	sci-libs/scipy[${PYTHON_USEDEP}]
+	sci-visualization/grace
+	sci-visualization/opendx
+	x11-libs/wxGTK:2.8[X]"
+DEPEND="${RDEPEND}"
+
+pkg_setup() {
+	wxwidgets_pkg_setup
+	python-single-r1_pkg_setup
+}
+
+src_prepare() {
+	rm -rf minfx bmrblib || die
+	epatch "${FILESDIR}"/${P}-gentoo.patch
+	tc-export CC
+}
+
+src_compile() {
+	escons
+}
+
+src_test() {
+	${EPYTHON} ./${PN}.py -s || die
+#	${EPYTHON} ./${PN}.py -x || die
+}
+
+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 $@"
+}