diff options
Diffstat (limited to 'sci-chemistry/relax')
| -rw-r--r-- | sci-chemistry/relax/ChangeLog | 8 | ||||
| -rw-r--r-- | sci-chemistry/relax/Manifest | 35 | ||||
| -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 |
4 files changed, 125 insertions, 17 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/Manifest b/sci-chemistry/relax/Manifest index 067fe0dcbf57..518cd1a08104 100644 --- a/sci-chemistry/relax/Manifest +++ b/sci-chemistry/relax/Manifest @@ -9,6 +9,7 @@ AUX relax-3.0.2-wxpython.patch 26526 SHA256 e027848934357fabe880bf99792cfebbbe92 AUX relax-3.1.0-sample-script-backport.patch 7311 SHA256 2621ab6890a0711abb4961f76153813570597b48b59aa3a206354c993b205ac4 SHA512 17183054434a8495e1d7ecade631f34b324e2c7d6d80f1406cadfcc5fdf7f6c9099db372674c12e80b1975990467eb2f42f6bdfce0a7e27998cdeea48fa98338 WHIRLPOOL 00cea4f17144aa0b27b675cae1127c2f9e6bb6d8bc4ebebb4acf219d25966edd87f41f26c3971877d8a338abd29dcb18181eb9343debd7aa7951052609bac306 AUX relax-3.1.0-sample-script.patch 1809 SHA256 7201cd4d6b9379e3fc2d6115847f1134ac80505922d91ba56ab96507facfcfd7 SHA512 aaca5fe9294f4c013cda8d3f10e24badcd0b6e4a5cdc757bd023a3d55dd8f2d8a671b5c52d3fa064811dcf0bf0d40b8a8004d5447dfebfafb9908e7fcac5fe6a WHIRLPOOL a9e9980f45353eee1ac5e5a537706ca4bff82663ffc0518b2f66a59bf7071ba8ab807ab60afc1f68f062aba9e6d07e9db1f133f24061028ca0dac864de73c7f1 AUX relax-3.1.7-dpar.patch 1310 SHA256 85061d16fabdc9d7f3f7f28bf1ad2b8a8798c6ab1322a66afb6fbd9d0591241f SHA512 40120bbe9d4474abec930e612633d8f961daa06df6f0a918a8d13469c564fc1fcf44fb6fe1cc643cbbc97587c16a1e6e4881e59f48aa2413c5c58d433a26477c WHIRLPOOL 254fb90ddcb3a2c8a1a0d805b9e805fe0870e8acec2795006c10419cdaf55389b803351dc155b3903eb164a33cb4790e25452f9d1d32b1169231889e77762265 +AUX relax-3.2.2-gentoo.patch 921 SHA256 01a4227e666d62cc37641cc69ac594a9523310989cf67c75bb2166c71561de1f SHA512 fe7f30fd5903904f123c329ce774ba3fbda2365f779bb45b4e7d24c0d32f63e4465e7daa8385853681aa1bdb8693d3103b92a148b7f06fec9fdf7769f44b517a WHIRLPOOL b251efdfa25161b8cf1f8d355d6b94066efc8c309ab1802d1170067d8726013c25447a7e598f0b0d3b92d725e2b7755f2284d10ac9055281815b3bde65bd678c 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 @@ -24,6 +25,7 @@ DIST relax-3.1.6.src.tar.bz2 84506476 SHA256 6a6a085e95c3ccf268a0668042eaa6b1e92 DIST relax-3.1.7.src.tar.bz2 84624222 SHA256 c48883719565253b905e37b380710403b1b099bf7d4ad4edbaec93d808a9a7ba SHA512 48b9b5157841e44319025faaea8799277d0822de78b2c25c0a5785de17d198fa6d802c40bc3113dc604d6e57ecdf943acdd101d561e1136f78fa2ab65e8f9841 WHIRLPOOL 77db59a508592eb185c597fbb2f10b2da9b0f78f56bf1af76bb30dd805ee796b71f75bb3005624b640192629968053b40065ccd278dc979159fedad3819ab69a DIST relax-3.2.0.src.tar.bz2 84952073 SHA256 94aafb42d181fbc78e21c51fb343dc0e671f7d415ebc2a99ff269c181eada11d SHA512 272a944db12f37903ec61ff9d17d1f7a4fbd745c1d306334b6adb41234751d3fed9edd818dbf7874abb36bdea29dd9e94e50f15ec490d182db0884d74a56d902 WHIRLPOOL 422341d571c43333e30decc3d3c342df7a3a33536d2f7733a73ad3aac8729428146fe6e4026fe0298a4adc04cd17f0993b23e4da889d1453f151916e67c2b55f DIST relax-3.2.1.src.tar.bz2 85017557 SHA256 85594dd5352d3d9000de721bc6b80892cd9afde050a927462fecb19d19c9b5e9 SHA512 bcdbf8a0794ef3942f8021540208b8685acd52db51e38581c529e07440bdb9155fcf5256d378a8c55770b61942f4ad9774e7aca837f70890a6290cb50c920899 WHIRLPOOL 36f6072828c3d7dab97fd6d12826f3384d0ba9153fd2bd4202be4a3883983fbec3a8dd1675e782ac0bb3e8395afe2760f56b5127091f9e0a23fd6e23ff6b499b +DIST relax-3.2.2.src.tar.bz2 84956773 SHA256 cce703315023ed702703fe1096ccedc221341a2711dc036c12996316182c4ae3 SHA512 12b306471260b579980800da919f810ad0ac3aaf05815226bbf0d16ecd758ae94913f9fc32422f1ef63aa51d83a83214ed3a393a77bcb4d675febde01c114bd1 WHIRLPOOL 44f7a3921571d2f3551073ea9ae5e4f3cef022b068b22cc8bd4c2e40cca60402c479353f6a8d1bce3a1cf9dbcd33f4d5c284fecfb82c5805236766346a2575f9 EBUILD relax-2.1.0.ebuild 1128 SHA256 2d49d317cc424da9f9f2bf86ec802dae614952d506e385a60fa95e262b0c0da3 SHA512 fa76e538545bb5a2d520d3b063ba255f2d4c0279332631f061444a697528f78c6709f3d91a946289bf80828059ff7423b0d3d5374117bf89625f360212540614 WHIRLPOOL 4e0686ab5f70ddd7243c53437978b617ee2a9be55da1eb78022863babeafffae80536048471526e6076553761ea968129e7100c960d6fc7f970b281911d4ba09 EBUILD relax-2.2.1.ebuild 1337 SHA256 4c65b74e17d1928bfc0f42230e1ccbc6abd5963901a751a7782f3c19bf25008c SHA512 70c78139ba9a9a08404673fc970082f9e3c868b2651b80d9f7cac4c5680bec846c69d3c65e68240139dfe37957607845b0ac66f595151ee7051b745d500d095e WHIRLPOOL 219ca572d15297a779da98b2a9f7a12edd80bec89710be07d0d2b02716534c831893a0bc14a0a9f177e6cebc0283c4d25872c4265a7f6f20610c0b17feafd236 EBUILD relax-2.2.5.ebuild 1521 SHA256 f9192d970b2e70dcebdfc6ebd4658459cf5ac88a1b74886cf456108633ccf2c3 SHA512 7a4f13a4be29ef48082e82e6ec7bc6f6b3e1da72ed32e914b9f202c83f61868d850f3c4f2410407ad4c1be5ce5939fb16330d403bcdbdea12fc69e0070a15007 WHIRLPOOL ba6768c596b799456d18f85450520b7de81b5688df9ec3762023b54bf82f3398ed9eea862d242a064ffd3f71f8f73315b15d8734ace7a0196e4fc0b82be8ad99 @@ -40,25 +42,26 @@ EBUILD relax-3.1.7-r1.ebuild 1630 SHA256 9ab42b27756644cef8bbaa093f706ba1aaa29fc EBUILD relax-3.1.7.ebuild 1593 SHA256 43d04c915de5e6aed8ccf131a3ceb9e01636dd62a926abae35c73d03cc43383b SHA512 6072a94e72932b9ef9d6ae9dbe44e2fff6a59338e505aa0352fee3379da4dc83afc68252809f6459e1cbb677d33baf3fec588bc6c87f9c703f76fb610c68c6e9 WHIRLPOOL 625fcd1090c71f300b740b6d1f4f9102ddbea49064c9b57c1949581c84d61bd040abbd5aaa94a8174803c407f9852bd9393d9e1c17fa69efed850b5de8e22109 EBUILD relax-3.2.0.ebuild 1646 SHA256 dc4f46a0871af28723b5089fd6a5ccaacf236306fa514635cf383537dc170252 SHA512 d8c39dc6317ff956cb4fa0e7653a1a2393c3f74f5215d1d9f198d79cafd4590aa8a20df5f9620be6f3f5e71ad2c3cdf7e830a30afe4c878e66501198e7ff35fb WHIRLPOOL bb10e600807f49798070b81a01474f8b16babf5751e7a2a73bd9445d34a7a28ede806f89dcbd7f9b619aba03c9a4884237684cdd84bb5d74e55f00c2d15851e9 EBUILD relax-3.2.1.ebuild 1646 SHA256 5450f4c5563f663ea9ca9dd1c389c154c86ffde5fdf747c567742707ae9ce45a SHA512 11050b999471673cf0bda87bc9f7c41526bf7554af773a5e2f5bf03fe7abc18ab8748ffcc0d5ea9c08b9f76e1292deb111f4eca8fc3d1b95ad01db3691de9d18 WHIRLPOOL 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SIGNATURE----- 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 $@" +} |