sci-chemistry/relax: Add another backport for sample scripts; add live ebuild

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

5 files changed, 211 insertions, 18 deletions

diff --git a/sci-chemistry/relax/ChangeLog b/sci-chemistry/relax/ChangeLog
index b8edf91fe9b6..61f92e695fbd 100644
--- a/sci-chemistry/relax/ChangeLog
+++ b/sci-chemistry/relax/ChangeLog
@@ -1,6 +1,14 @@
 # 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 1.12 2013/11/29 09:14:58 jlec Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/relax/ChangeLog,v 1.13 2013/11/29 10:58:24 jlec Exp $
+
+*relax-9999 (29 Nov 2013)
+*relax-3.1.0-r2 (29 Nov 2013)
+
+  29 Nov 2013; Justin Lecher <jlec@gentoo.org> -relax-3.1.0-r1.ebuild,
+  +relax-3.1.0-r2.ebuild, +relax-9999.ebuild,
+  +files/relax-3.1.0-sample-script-backport.patch:
+  Add another backport for sample scripts; add live ebuild
 
 *relax-3.1.0-r1 (29 Nov 2013)
 
diff --git a/sci-chemistry/relax/Manifest b/sci-chemistry/relax/Manifest
index 3a72ddc43a59..5874c234b23d 100644
--- a/sci-chemistry/relax/Manifest
+++ b/sci-chemistry/relax/Manifest
@@ -6,6 +6,7 @@ AUX relax-2.2.1-gentoo.patch 1676 SHA256 8c31035e6d9abbca876a5d29ce25abe2a6daf6e
 AUX relax-3.0.1-gentoo.patch 1645 SHA256 266faa00ccfae77171785800825ec16ad518e0e22ac2ade74154ab01d547fa17 SHA512 6869b5dca42d7428ab177ee3134feded9788d61cf0fe870dd1198039b9f520b4e7e745feae0ba01189f832fd21a6141ca53f8929694d25207f08667b2744606c WHIRLPOOL c74adb00570006e0c515d4b88234044d76ac7ca15e0c1224ed626d05efd71b114abdc8d14196921cf022db55f67fc250bf95a86d339c2052f99672724c1f1366
 AUX relax-3.0.2-wxpython-2.patch 2258 SHA256 281440662cd3aacbf0c77269c3216be5df34aedd7bfa24bdde2ad22d4cbfec1c SHA512 f0d49f3870c28c776a300264a4656711db4e01f5ac065a3d079887ad299c50ab66bb899403ef13a13ad1dde80cde7f5cf44f8a6f25a8ec80b62e068cf55717b4 WHIRLPOOL 02601f57d0573bd0da665fd15da0e3196cd550c2403b700088e224e83925c03c5a1e54838bf52485f3625b067f2e5ff9775fce5964e0c571a3cfbdcc616de820
 AUX relax-3.0.2-wxpython.patch 26526 SHA256 e027848934357fabe880bf99792cfebbbe9285c5a62bf806e1b547158b3f7f7f SHA512 1c98220c4eda426fac0c8b463e9360bff74ab9b5923c3c068c90b02971860a267ded2b39e7f41ddc71fd15bd92fab911ab5b879b66715bc0953b3a4184901b22 WHIRLPOOL 5db39eaf6219faa48efe4609c45f0cf22f333a499032e2ec03a33c4afe64c9153629b25379a72853e83ee4a0457e172a963a358a4e2497a9d020992aa2d2ec93
+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
 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
@@ -18,23 +19,24 @@ EBUILD relax-2.2.1.ebuild 1337 SHA256 4c65b74e17d1928bfc0f42230e1ccbc6abd5963901
 EBUILD relax-2.2.5.ebuild 1521 SHA256 f9192d970b2e70dcebdfc6ebd4658459cf5ac88a1b74886cf456108633ccf2c3 SHA512 7a4f13a4be29ef48082e82e6ec7bc6f6b3e1da72ed32e914b9f202c83f61868d850f3c4f2410407ad4c1be5ce5939fb16330d403bcdbdea12fc69e0070a15007 WHIRLPOOL ba6768c596b799456d18f85450520b7de81b5688df9ec3762023b54bf82f3398ed9eea862d242a064ffd3f71f8f73315b15d8734ace7a0196e4fc0b82be8ad99
 EBUILD relax-3.0.1.ebuild 1510 SHA256 640d9964245a7c7b42db8e31f59cbb33c6c136481f9cedc46ad80e425e05d1df SHA512 773004e05d60024ba2b793cbe1cc0b95e9f2b788d5cd2a667e4d182598662181e82b03ca084f7690a6755b8bb6926a81b19190b8343f6e2b70ab7e781dd5b683 WHIRLPOOL d2eac52a53b0f7f6389b128ab4433aead2394e64ff1a10006b73a6633a407030918030e859d64657bd139d326cd38faba05f86094f7a684660dc08f48a761cb9
 EBUILD relax-3.0.2-r2.ebuild 1681 SHA256 15d6aa55fc61b7541b5855c96be559b381b3263b8193fbc2fa04a007bf50b39b SHA512 b80c1a5857df64e1e4c9015a4d65396ef186ac66713720ebead7cd72b6045524fba2103da6f5f4018c7c04453a9b89bf4018e237cda64834e003319ef2bfbb61 WHIRLPOOL 59f856b9b638384c3015a705ffcc391d209dc207fae07e9cb27e68bfa51668ad5c4ef8cc037a8ed04f6cae16c4732e69b465344b2eaaeeaf101170d6db77e030
-EBUILD relax-3.1.0-r1.ebuild 1930 SHA256 e17162955de60efe8b24d836c1c53a67c40eb26095d1d7e1c5a96ef7468ccc0f SHA512 d8fc6a75ff2767cf2889817c4b4ec723306b8cd9888931610eca618dc2458f754b58cbd40a512d3cfd6360b93cfb80acb4ead31978af00e0444cff72625cf4c6 WHIRLPOOL eaa1a535b6fdf5223f5aef118e3b380be3c3b3cc90e8bd1e8a259a984cbe2bd7a36706baa446378210e312827f0ae934e61d64fe945a23d5b413c831fbe36e60
-MISC ChangeLog 2078 SHA256 901fbe10e20a47d48600f1e88338576e25bf34da3165ca60b4f09f27d921e0ca SHA512 6f27d174d8ea5fa4f04f1a2a5b03fe3ff787fcffd154c5f495c8edd909ef19407377b3e9411aa6e28a2809dbfb9bfe9304667c8f80f7a5f527d1be9c171148cf WHIRLPOOL e92f0a0e1b512d84438de8a6dc738dd621643447cbcdb981e7313d78233a775517ed7cc87106ec335c45b370ade15e483c94ec25f89b4d628b17e11545876002
+EBUILD relax-3.1.0-r2.ebuild 1942 SHA256 3395cad786225adb74b79d6cddec1979e419ff5f44236d010057b053d844880d SHA512 b0f64d0975e4d2309ddc566d2605a7c44f9bd9b383dc945034d6a96f642f50c8120c0ebc7f259e3234c25b2af8e1115fb7ad7396c40d89af46daf1fab7bacc56 WHIRLPOOL 17a86c67cd6bc90035ee5c7351d3dc9cd35091a5d6910fd323754eec90488c3ffa7c8b47799f17c5c8f0b61e9dfc44311d7d5e042f5ef3351be310f4450e1c39
+EBUILD relax-9999.ebuild 1621 SHA256 0f7a800c351dcc86fa2b43b10bc0cc1e0126a5cdf5d3489928070a475ec2ad2e SHA512 820143e457b8282ad7b33ac4013889c016b6763a834718f0c33a52b9da3f367776200206fc95aab4220866819898ad72e1fd48e8cb6f9f3272c278e44eb947fb WHIRLPOOL f4ced5b9c344f7a1abdffff6f8d8163701399ce45625cae26a328a8d80705ecfe6833bf8ec398decb5c4993080a212fc9b41653bca88f0c980e28d6b873ee4ab
+MISC ChangeLog 2363 SHA256 3e4b08298ea0a4054c028891284bdbf92294089fece8a17fd2f715ea492a3142 SHA512 a684a80efcfcb361ab5867e341001bd12480a4235c549da5721c5edad0c0044661df9592aec51b7496204d1cb1045858996b90d777202b8aed9cafa0e33fb409 WHIRLPOOL 0fb98e9b01bd5d4943acf5ea40dd7f69b80d2d2b3096f96b818737fa1b558e7c731ae2a79ec77f6cae59ba4a1e3dd47176ead72598bda1fca6fd3a3dc3269ab1
 MISC metadata.xml 1315 SHA256 58aef1b2b940b7211a85032dfc7212025aca6a3cd313b1a6e203854bbd3dd03e SHA512 dcb1d935782546693b79aa74dc37d55701ff4cb1756860a7f0d9919534ad2ae6f1dcad20cace867b10297c577cb6444dd5e212b13f57c3d81b30b382d8458c04 WHIRLPOOL e2de7c85fb3494a98c2ee1b08dd06d28676f43f64367ad29a8723f712e12e9052daa82794bb6626506de568701b1ea09efe059a8d3a13f6aee5fd607a913e441
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diff --git a/sci-chemistry/relax/files/relax-3.1.0-sample-script-backport.patch b/sci-chemistry/relax/files/relax-3.1.0-sample-script-backport.patch
new file mode 100644
index 000000000000..7c82da50aaa0
--- /dev/null
+++ b/sci-chemistry/relax/files/relax-3.1.0-sample-script-backport.patch
@@ -0,0 +1,111 @@
+--- trunk/sample_scripts/relax_disp/R1rho_analysis.py	2013/11/29 09:40:25	21705
++++ trunk/sample_scripts/relax_disp/R1rho_analysis.py	2013/11/29 09:42:22	21706
+@@ -58,16 +58,16 @@
+ # Set up the data pipe.
+ #######################
+ 
++# The path to the data files.
++DATA_PATH = '../../test_suite/shared_data/dispersion/r1rho_off_res_tp02'
++
+ # Create the data pipe.
+ pipe_name = 'base pipe'
+ pipe_bundle = 'relax_disp'
+ pipe.create(pipe_name=pipe_name, bundle=pipe_bundle, pipe_type='relax_disp')
+ 
+-# The path to the data files.
+-data_path = 'r1rho_off_res_tp02'
+-
+ # Load the sequence.
+-sequence.read('fake_sequence.in', res_num_col=1, res_name_col=2)
++sequence.read('fake_sequence.in', dir=DATA_PATH, res_num_col=1, res_name_col=2)
+ 
+ # Name the spins so they can be matched to the assignments.
+ spin.name(name='N')
+@@ -77,37 +77,37 @@
+ 
+ # The spectral data - spectrum ID, peak list file name, spin-lock field strength (Hz), the spin-lock offset (ppm), the relaxation time (s), spectrometer frequency (Hz), and experimental error (RMSD of the base plane noise for each spectrum).
+ data = [
+-    ['ref_500MHz',       'ref_500MHz.list',         None, 110.0, 0.1, 500e6, 200000.0]
+-    ['nu_1000.0_500MHz', 'nu_1000.0_500MHz.list', 1000.0, 110.0, 0.1, 500e6, 200000.0]
+-    ['nu_1500.0_500MHz', 'nu_1500.0_500MHz.list', 1500.0, 110.0, 0.1, 500e6, 200000.0]
+-    ['nu_2000.0_500MHz', 'nu_2000.0_500MHz.list', 2000.0, 110.0, 0.1, 500e6, 200000.0]
+-    ['nu_2500.0_500MHz', 'nu_2500.0_500MHz.list', 2500.0, 110.0, 0.1, 500e6, 200000.0]
+-    ['nu_3000.0_500MHz', 'nu_3000.0_500MHz.list', 3000.0, 110.0, 0.1, 500e6, 200000.0]
+-    ['nu_3500.0_500MHz', 'nu_3500.0_500MHz.list', 3500.0, 110.0, 0.1, 500e6, 200000.0]
+-    ['nu_4000.0_500MHz', 'nu_4000.0_500MHz.list', 4000.0, 110.0, 0.1, 500e6, 200000.0]
+-    ['nu_4500.0_500MHz', 'nu_4500.0_500MHz.list', 4500.0, 110.0, 0.1, 500e6, 200000.0]
+-    ['nu_5000.0_500MHz', 'nu_5000.0_500MHz.list', 5000.0, 110.0, 0.1, 500e6, 200000.0]
+-    ['nu_5500.0_500MHz', 'nu_5500.0_500MHz.list', 5500.0, 110.0, 0.1, 500e6, 200000.0]
+-    ['nu_6000.0_500MHz', 'nu_6000.0_500MHz.list', 6000.0, 110.0, 0.1, 500e6, 200000.0]
+-    ['ref_800MHz',       'ref_800MHz.list',         None, 110.0, 0.1, 800e6, 200000.0]
+-    ['nu_1000.0_800MHz', 'nu_1000.0_800MHz.list', 1000.0, 110.0, 0.1, 800e6, 200000.0]
+-    ['nu_1500.0_800MHz', 'nu_1500.0_800MHz.list', 1500.0, 110.0, 0.1, 800e6, 200000.0]
+-    ['nu_2000.0_800MHz', 'nu_2000.0_800MHz.list', 2000.0, 110.0, 0.1, 800e6, 200000.0]
+-    ['nu_2500.0_800MHz', 'nu_2500.0_800MHz.list', 2500.0, 110.0, 0.1, 800e6, 200000.0]
+-    ['nu_3000.0_800MHz', 'nu_3000.0_800MHz.list', 3000.0, 110.0, 0.1, 800e6, 200000.0]
+-    ['nu_3500.0_800MHz', 'nu_3500.0_800MHz.list', 3500.0, 110.0, 0.1, 800e6, 200000.0]
+-    ['nu_4000.0_800MHz', 'nu_4000.0_800MHz.list', 4000.0, 110.0, 0.1, 800e6, 200000.0]
+-    ['nu_4500.0_800MHz', 'nu_4500.0_800MHz.list', 4500.0, 110.0, 0.1, 800e6, 200000.0]
+-    ['nu_5000.0_800MHz', 'nu_5000.0_800MHz.list', 5000.0, 110.0, 0.1, 800e6, 200000.0]
+-    ['nu_5500.0_800MHz', 'nu_5500.0_800MHz.list', 5500.0, 110.0, 0.1, 800e6, 200000.0]
++    ['ref_500MHz',       'ref_500MHz.list',         None, 110.0, 0.1, 500e6, 200000.0],
++    ['nu_1000.0_500MHz', 'nu_1000.0_500MHz.list', 1000.0, 110.0, 0.1, 500e6, 200000.0],
++    ['nu_1500.0_500MHz', 'nu_1500.0_500MHz.list', 1500.0, 110.0, 0.1, 500e6, 200000.0],
++    ['nu_2000.0_500MHz', 'nu_2000.0_500MHz.list', 2000.0, 110.0, 0.1, 500e6, 200000.0],
++    ['nu_2500.0_500MHz', 'nu_2500.0_500MHz.list', 2500.0, 110.0, 0.1, 500e6, 200000.0],
++    ['nu_3000.0_500MHz', 'nu_3000.0_500MHz.list', 3000.0, 110.0, 0.1, 500e6, 200000.0],
++    ['nu_3500.0_500MHz', 'nu_3500.0_500MHz.list', 3500.0, 110.0, 0.1, 500e6, 200000.0],
++    ['nu_4000.0_500MHz', 'nu_4000.0_500MHz.list', 4000.0, 110.0, 0.1, 500e6, 200000.0],
++    ['nu_4500.0_500MHz', 'nu_4500.0_500MHz.list', 4500.0, 110.0, 0.1, 500e6, 200000.0],
++    ['nu_5000.0_500MHz', 'nu_5000.0_500MHz.list', 5000.0, 110.0, 0.1, 500e6, 200000.0],
++    ['nu_5500.0_500MHz', 'nu_5500.0_500MHz.list', 5500.0, 110.0, 0.1, 500e6, 200000.0],
++    ['nu_6000.0_500MHz', 'nu_6000.0_500MHz.list', 6000.0, 110.0, 0.1, 500e6, 200000.0],
++    ['ref_800MHz',       'ref_800MHz.list',         None, 110.0, 0.1, 800e6, 200000.0],
++    ['nu_1000.0_800MHz', 'nu_1000.0_800MHz.list', 1000.0, 110.0, 0.1, 800e6, 200000.0],
++    ['nu_1500.0_800MHz', 'nu_1500.0_800MHz.list', 1500.0, 110.0, 0.1, 800e6, 200000.0],
++    ['nu_2000.0_800MHz', 'nu_2000.0_800MHz.list', 2000.0, 110.0, 0.1, 800e6, 200000.0],
++    ['nu_2500.0_800MHz', 'nu_2500.0_800MHz.list', 2500.0, 110.0, 0.1, 800e6, 200000.0],
++    ['nu_3000.0_800MHz', 'nu_3000.0_800MHz.list', 3000.0, 110.0, 0.1, 800e6, 200000.0],
++    ['nu_3500.0_800MHz', 'nu_3500.0_800MHz.list', 3500.0, 110.0, 0.1, 800e6, 200000.0],
++    ['nu_4000.0_800MHz', 'nu_4000.0_800MHz.list', 4000.0, 110.0, 0.1, 800e6, 200000.0],
++    ['nu_4500.0_800MHz', 'nu_4500.0_800MHz.list', 4500.0, 110.0, 0.1, 800e6, 200000.0],
++    ['nu_5000.0_800MHz', 'nu_5000.0_800MHz.list', 5000.0, 110.0, 0.1, 800e6, 200000.0],
++    ['nu_5500.0_800MHz', 'nu_5500.0_800MHz.list', 5500.0, 110.0, 0.1, 800e6, 200000.0],
+     ['nu_6000.0_800MHz', 'nu_6000.0_800MHz.list', 6000.0, 110.0, 0.1, 800e6, 200000.0]
+ ]
+ 
+ # Loop over the spectra.
+ for id, file, field, offset, relax_time, H_frq, rmsd in data:
+     # Load the peak intensities and set the errors.
+-    spectrum.read_intensities(file=file, dir=data_path, spectrum_id=id, int_method='height')
+-    spectrum.baseplane_rmsd(spectrum_id=id, error=error)
++    spectrum.read_intensities(file=file, dir=DATA_PATH, spectrum_id=id, int_method='height')
++    spectrum.baseplane_rmsd(spectrum_id=id, error=rmsd)
+ 
+     # Set the relaxation dispersion experiment type.
+     relax_disp.exp_type(spectrum_id=id, exp_type='R1rho')
+@@ -125,18 +125,17 @@
+     spectrometer.frequency(id=id, frq=H_frq)
+ 
+ # Load the R1 data.
+-relax_data.read(ri_id='500MHz', ri_type='R1', frq=500e6, file='R1_500MHz.out', dir=data_path, mol_name_col=1, res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)
+-relax_data.read(ri_id='800MHz', ri_type='R1', frq=800e6, file='R1_800MHz.out', dir=data_path, mol_name_col=1, res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)
++relax_data.read(ri_id='500MHz', ri_type='R1', frq=500e6, file='R1_500MHz.out', dir=DATA_PATH, mol_name_col=1, res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)
++relax_data.read(ri_id='800MHz', ri_type='R1', frq=800e6, file='R1_800MHz.out', dir=DATA_PATH, mol_name_col=1, res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)
+ 
+-# Clustering.
+-relax_disp.cluster(cluster_id='cluster', spin_id=':1-50')
++# Clustering (only to be activated after an initial analysis without clustering).
++#relax_disp.cluster(cluster_id='cluster', spin_id=':1-50')
+ 
+ # Read the chemical shift data.
+-chemical_shift.read(file='ref_500MHz.list', dir=data_path)
++chemical_shift.read(file='ref_500MHz.list', dir=DATA_PATH)
+ 
+ # Deselect unresolved spins.
+-deselect.read(file='unresolved', dir='500_MHz', res_num_col=1)
+-deselect.read(file='unresolved', dir='800_MHz', res_num_col=1)
++deselect.read(file='unresolved', dir=DATA_PATH, res_num_col=1)
+ 
+ 
+ 
diff --git a/sci-chemistry/relax/relax-3.1.0-r1.ebuild b/sci-chemistry/relax/relax-3.1.0-r2.ebuild
index 355ce100f4b9..e138260b198d 100644
--- a/sci-chemistry/relax/relax-3.1.0-r1.ebuild
+++ b/sci-chemistry/relax/relax-3.1.0-r2.ebuild
@@ -1,6 +1,6 @@
 # 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-3.1.0-r1.ebuild,v 1.1 2013/11/29 09:14:58 jlec Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/relax/relax-3.1.0-r2.ebuild,v 1.1 2013/11/29 10:58:24 jlec Exp $
 
 EAPI=5
 
@@ -51,7 +51,7 @@ src_prepare() {
 	rm -rf minfx bmrblib || die
 	epatch \
 		"${FILESDIR}"/${PN}-3.0.1-gentoo.patch \
-		"${FILESDIR}"/${P}-sample-script.patch
+		"${FILESDIR}"/${P}-sample-script{,-backport}.patch
 	tc-export CC
 
 	ebegin "Fixing png files"
diff --git a/sci-chemistry/relax/relax-9999.ebuild b/sci-chemistry/relax/relax-9999.ebuild
new file mode 100644
index 000000000000..c8e8914035eb
--- /dev/null
+++ b/sci-chemistry/relax/relax-9999.ebuild
@@ -0,0 +1,72 @@
+# 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-9999.ebuild,v 1.1 2013/11/29 10:58:24 jlec Exp $
+
+EAPI=5
+
+PYTHON_COMPAT=( python2_7 )
+
+WX_GTK_VER="2.9"
+
+inherit eutils python-single-r1 scons-utils subversion toolchain-funcs wxwidgets virtualx
+
+DESCRIPTION="Molecular dynamics by NMR data analysis"
+HOMEPAGE="http://www.nmr-relax.com/"
+SRC_URI=""
+ESVN_REPO_URI="svn://svn.gna.org/svn/relax/trunk"
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS=""
+IUSE=""
+
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
+
+RDEPEND="
+	${PYTHON_DEPS}
+	dev-python/numpy[${PYTHON_USEDEP}]
+	dev-python/wxpython:${WX_GTK_VER}[${PYTHON_USEDEP}]
+	sci-chemistry/molmol
+	sci-chemistry/pymol[${PYTHON_USEDEP}]
+	sci-chemistry/vmd
+	>=sci-libs/bmrblib-1.0.1_pre198[${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:${WX_GTK_VER}[X]"
+DEPEND="${RDEPEND}"
+
+pkg_setup() {
+	python-single-r1_pkg_setup
+}
+
+src_prepare() {
+	local png
+	rm -rf minfx bmrblib || die
+	epatch \
+		"${FILESDIR}"/${PN}-3.0.1-gentoo.patch
+	tc-export CC
+}
+
+src_compile() {
+	escons
+	escons user_manual_pdf_nofetch
+	escons user_manual_html_nofetch
+}
+
+src_test() {
+	VIRTUALX_COMMAND="${EPYTHON}"
+	virtualmake ./${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 $@"
+}