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168 Commits

Author SHA1 Message Date
R. RyanTM
c04e2c41ca jmol: 14.30.2 -> 14.31.0 2020-06-10 03:50:47 +00:00
Markus Kowalewski
5dbe275aac
molden: 6.2 -> 6.3 2020-06-06 23:41:01 +02:00
R. RyanTM
f4e01832ed marvin: 20.10.0 -> 20.12.0 2020-05-27 12:11:37 -07:00
R. RyanTM
bdcefc1053 marvin: 20.9.0 -> 20.10.0 2020-05-06 23:16:23 -07:00
Matthew Bauer
ff2f2644f8 blas,lapack: use isILP64 instead of is64bit 
This is a better name since we have multiple 64-bit things that could
be referred to.

LP64  : integer=32, long=64, pointer=64
ILP64 : integer=64, long=64, pointer=64
 2020-04-20 16:02:43 -05:00
Matthew Bauer
1c8aba8334 treewide: use blas and lapack 
This makes packages use lapack and blas, which can wrap different
BLAS/LAPACK implementations.

treewide: cleanup from blas/lapack changes

A few issues in the original treewide:

- can’t assume blas64 is a bool
- unused commented code
 2020-04-17 16:24:09 -05:00
Michael Reilly
84cf00f980
treewide: Per RFC45, remove all unquoted URLs 2020-04-10 17:54:53 +01:00
Constantine Glen Evans
cacbbe92bf
gwyddion: add darwin support 
Gwyddion will build on Darwin, but gnome2.gtkglext is broken there,
and so I am disabling it as an optional dependency here when building
on Darwin.
 2020-04-01 17:50:36 -07:00
R. RyanTM
1d349b8512 marvin: 20.6.0 -> 20.9.0 2020-03-30 04:02:45 +00:00
Constantine Glen Evans
59fbc7acba gwyddion: 2.48 -> 2.55 (and add options) 
Gwyddion has a large number of optional dependencies. In this update,
those dependencies have been added with options set mostly to true,
and an option (default false) for working Python 2.7 support in the
program and in Python has been added. I have also added myself as a
maintainer as no maintainer is currently set.
 2020-03-27 10:56:00 -07:00
markuskowa
dbb9fab27f
Merge pull request #81604 from markuskowa/upd-octopus 
octopus: 9.1 -> 9.2
 2020-03-03 12:45:16 +01:00
markuskowa
4822d61252
Merge pull request #80977 from r-ryantm/auto-update/quantum-espresso 
quantum-espresso: 6.4.1 -> 6.5
 2020-03-03 11:09:30 +01:00
Markus Kowalewski
eebd6fe75a
octopus: 9.1 -> 9.2 2020-03-03 10:54:23 +01:00
Brenton Horne
b07eb54048 marvin: 20.4.0 -> 20.6.0 2020-03-02 21:50:25 +01:00
R. RyanTM
56d58ecb24 quantum-espresso: 6.4.1 -> 6.5 2020-02-24 19:40:14 +00:00
Brenton Horne
567be48707 marvin: 20.3.0 -> 20.4.0 2020-02-10 19:55:13 +01:00
R. RyanTM
20f22f681f marvin: 19.27.0 -> 20.3.0 2020-02-08 19:34:35 +00:00
R. RyanTM
097737b5a4 jmol: 14.30.1 -> 14.30.2 2020-02-01 03:50:56 +00:00
samlich
3376628557
pymol: cleanup 2020-01-25 19:58:36 +00:00
samlich
77317774ce
pymol: link desktop icon 2020-01-24 19:51:08 +00:00
samlich
3638755ff3
pymol: add samlich as maintainer 2020-01-24 19:49:38 +00:00
samlich
97410b59f3
pymol: 2.1.0 -> 2.3.0 2020-01-24 19:42:59 +00:00
Markus Kowalewski
a74b248f06
openmolcas: 18.09 -> 19.11 2020-01-07 15:36:59 +01:00
markuskowa
b06114f078
Merge pull request #76311 from r-ryantm/auto-update/marvin 
marvin: 19.23.0 -> 19.27.0
 2020-01-04 12:24:48 +01:00
Markus Kowalewski
63d62699e0
marvin: 19.25.0 -> 19.27.0 2019-12-25 15:11:16 +01:00
R. RyanTM
cf6d80a89d marvin: 19.23.0 -> 19.25.0 2019-12-23 13:15:32 -08:00
R. RyanTM
398f11945e jmol: 14.30.0 -> 14.30.1 2019-12-23 09:16:44 -08:00
markuskowa
444256039c
Merge pull request #75245 from r-ryantm/auto-update/jmol 
jmol: 14.29.55 -> 14.30.0
 2019-12-08 14:19:56 +01:00
R. RyanTM
b40940e9d6 jmol: 14.29.55 -> 14.30.0 2019-12-08 04:52:52 -08:00
R. RyanTM
8582e5a759 marvin: 19.1.0 -> 19.23.0 2019-12-07 20:41:41 +01:00
Frederik Rietdijk
5f8b0d7d99 Merge staging-next into staging 2019-11-19 14:53:29 +01:00
adisbladis
c9d8624ccd
treewide: Get rid of libGLU_combined 2019-11-18 20:10:43 +00:00
c0bw3b
9367367dfd Treewide: fix URL permanent redirects 
Permanent redirects on homepages and/or source URLs
as reported by Repology
 2019-11-16 01:41:23 +01:00
R. RyanTM
b3799c5627 jmol: 14.29.54 -> 14.29.55 2019-11-02 00:16:58 -07:00
R. RyanTM
dbab6b7994 jmol: 14.29.53 -> 14.29.54 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-10-22 10:06:52 +02:00
Linus Heckemann
5aa4b19946 treewide: mark some broken packages as broken 
Refs:
e6754980264fe927320d5ff2dbd24ca4fac9a160
1e9cc5b9844ef603fe160e9f671178f96200774f
793a2fe1e8bb886ca2096c5904e1193dc3268b6d
c19cf65261639f749012454932a532aa7c681e4b
f6544d618f30fae0bc4798c4387a8c7c9c047a7c
 2019-10-08 17:14:26 +02:00
R. RyanTM
0826d695de jmol: 14.29.49 -> 14.29.53 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-09-26 16:35:12 -07:00
volth
7b8fb5c06c treewide: remove redundant quotes 2019-09-08 23:38:31 +00:00
volth
08f68313a4 treewide: remove redundant rec 2019-08-28 11:07:32 +00:00
Vladimír Čunát
2e6bf42a22
Merge branch 'master' into staging-next 
There ver very many conflicts, basically all due to
name -> pname+version.  Fortunately, almost everything was auto-resolved
by kdiff3, and for now I just fixed up a couple evaluation problems,
as verified by the tarball job.  There might be some fallback to these
conflicts, but I believe it should be minimal.

Hydra nixpkgs: ?compare=1538299
 2019-08-24 08:55:37 +02:00
Markus Kowalewski
a81bb36249
octopus: 9.0 -> 9.1 
* switch to GitLab download
* cleanup fftw dependence
 2019-08-19 10:24:44 +02:00
volth
c814d72b51 treewide: name -> pname 2019-08-17 10:54:38 +00:00
Frederik Rietdijk
fe9a3e3e63 Merge staging-next into staging 2019-08-17 09:39:23 +02:00
volth
46420bbaa3 treewide: name -> pname (easy cases) (#66585) 
treewide replacement of

stdenv.mkDerivation rec {
  name = "*-${version}";
  version = "*";

to pname
 2019-08-15 13:41:18 +01:00
Markus Kowalewski
5b0bbcbb6e
molden: 6.1 -> 6.2 2019-08-15 09:35:34 +02:00
R. RyanTM
5bb58479d7 jmol: 14.29.46 -> 14.29.49 (#65951) 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-08-04 22:09:13 +02:00
R. RyanTM
3775ef0acd jmol: 14.29.42 -> 14.29.46 (#63277) 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-06-17 20:56:11 +02:00
volth
f3282c8d1e treewide: remove unused variables (#63177) 
* treewide: remove unused variables

* making ofborg happy
 2019-06-16 19:59:05 +00:00
Markus Kowalewski
4df1e91b31
octopus: 8.4 -> 9.0 2019-06-11 13:02:54 +02:00
R. RyanTM
df3cdc29be quantum-espresso: 6.4 -> 6.4.1 (#62556) 2019-06-04 19:24:04 +00:00
R. RyanTM
e20c69619f jmol: 14.29.40 -> 14.29.42 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-06-01 17:19:25 -07:00
Markus Kowalewski
dce18eefd1
molden: 5.9.5 -> 6.1 2019-05-17 13:07:53 +02:00
R. RyanTM
06aa3d6f60 jmol: 14.29.36 -> 14.29.40 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-05-01 11:10:18 +02:00
R. RyanTM
c906798997 jmol: 14.29.32 -> 14.29.36 (#59546) 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-04-15 12:02:41 +02:00
markuskowa
e2ce5fd7fe
Merge pull request #58860 from r-ryantm/auto-update/quantum-espresso 
quantum-espresso: 6.3 -> 6.4
 2019-04-03 15:42:40 +02:00
Markus Kowalewski
c109aaa5cb
quantum-espresso: remove outdated makefile fix 2019-04-03 15:00:17 +02:00
R. RyanTM
882247fc3f quantum-espresso: 6.3 -> 6.4 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/quantum-espresso/versions
 2019-04-02 15:30:36 -07:00
R. RyanTM
5f4e5553bc jmol: 14.29.31 -> 14.29.32 (#58698) 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-04-01 20:12:53 +00:00
Silvan Mosberger
aadb1cbe26
Merge pull request #58494 from markuskowa/upd-octopus 
octopus: 8.3 -> 8.4
 2019-03-29 20:43:28 +01:00
Markus Kowalewski
3c19324e2a
octopus: 8.3 -> 8.4 2019-03-28 18:00:41 +01:00
Markus Kowalewski
6ea9c0243b
molden: 5.9.3 -> 5.9.5 2019-03-28 17:39:15 +01:00
Timo Kaufmann
dbc771f2e1
Merge pull request #55299 from r-ryantm/auto-update/jmol 
jmol: 14.29.29 -> 14.29.31
 2019-02-06 13:15:46 +01:00
Markus Kowalewski
64e9f2ad65
jmol: remove redundant name attribute 
version and pname are alrady present
 2019-02-06 12:25:25 +01:00
R. RyanTM
a1360faba7 jmol: 14.29.29 -> 14.29.31 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2019-02-05 20:33:46 -08:00
markuskowa
9703765556 molden: 5.8.2 -> 5.9.3 (#55044) 2019-02-05 23:57:29 +02:00
Brenton Horne
6be5e679b1 marvin: init at 19.1.0 
Also adding myself (fusion809) as a maintainer.
The marvin Nix file in this commit is largely thanks to @msteen.
 2019-01-15 00:23:38 +10:00
Piotr Bogdan
ae7557c4cb avogadro: fix libX11 underlinking 2019-01-04 21:13:57 +00:00
R. RyanTM
b26ba90c34 jmol: 14.29.28 -> 14.29.29 (#52275) 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2018-12-16 09:22:07 +01:00
R. RyanTM
b8e09ad0b5 octopus: 8.2 -> 8.3 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/octopus/versions
 2018-12-14 19:45:56 -08:00
c0bw3b
0ea604ac1d Treewide: use https for SourceForge 2018-11-24 19:58:03 +01:00
R. RyanTM
3902a47bed jmol: 14.29.26 -> 14.29.28 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2018-11-09 16:17:35 -08:00
R. RyanTM
fedc17a99d jmol: 14.29.22 -> 14.29.26 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2018-10-15 21:05:03 -07:00
Timo Kaufmann
87ca34b895
Merge pull request #47043 from r-ryantm/auto-update/jmol 
jmol: 14.29.19 -> 14.29.22
 2018-09-27 12:09:01 +02:00
markuskowa
6f6222c40f openmolcas: 20180529 -> 18.09 (#47410) 2018-09-27 10:47:02 +02:00
R. RyanTM
730eb9f5f2 jmol: 14.29.19 -> 14.29.22 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/jmol/versions
 2018-09-20 12:30:18 -07:00
Chris Ostrouchov
a2bc529f22
siesta: init at 4.0.2 2018-09-14 15:40:25 -04:00
Chris Ostrouchov
2c7295ebe0
quantum-espresso: init at 6.3 2018-09-14 15:40:14 -04:00
R. RyanTM
baf51804f0 jmol: 14.29.17 -> 14.29.19 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
jmol
 2018-09-06 19:54:40 -07:00
Jörg Thalheim
4609e3abf2
Merge pull request #45303 from markuskowa/molden-up 
molden: 5.7 -> 5.8.2
 2018-08-19 13:32:28 +01:00
Markus Kowalewski
04d283ecda
molden: patch to deactivate extension installer script 2018-08-19 11:29:31 +02:00
Orivej Desh
65663f883c msgpack: rename from libmsgpack 
The project does not use the name "libmsgpack". It variously uses "msgpack" and
"msgpack-c", and "msgpackc" for the name of the library.
 2018-08-18 23:19:54 +00:00
Markus Kowalewski
79bf57ca23
molden: 5.7 -> 5.8.2 2018-08-18 14:24:39 +02:00
Vladimír Čunát
209730208a
Merge branch 'staging-next' 2018-08-17 20:51:31 +02:00
R. RyanTM
ae846c0c03 octopus: 8.1 -> 8.2 
Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/octopus/versions.
 2018-08-16 20:04:53 -07:00
Frederik Rietdijk
d9fa74ba78 Merge master into staging 2018-08-09 18:28:15 +02:00
symphorien
0ca40a51c7 gwyddion, ripser: fix derivation name (#44577) 2018-08-07 01:21:53 +02:00
John Ericson
85a9913edd treewide: Make more complicated configureFlags lists 2018-08-03 17:06:03 -04:00
Markus Kowalewski
484473b184
openmolcas: init at 20180529 2018-08-02 10:18:17 +02:00
markuskowa
7f1bcb1ebf octopus: 7.2 -> 8.1 (libxc 3.0.1 -> 4.2.3) (#43484) 2018-07-14 00:37:30 +02:00
Timo Kaufmann
d37c23c699 jmol: 14.29.12 -> 14.29.17 (#43429) 2018-07-12 22:31:52 +02:00
Ryan Mulligan
af9d10a91b treewide: fix derivation names 2018-05-28 05:59:57 -07:00
Katona László
329d1ba69a jmol: made it runnable 2018-04-25 22:42:07 +02:00
Katona László
75d8c81868 pymol: 1.8.4 -> 2.1.0 2018-04-25 22:15:51 +02:00
Joachim F
36d58a2cd2
Merge pull request #39332 from markuskowa/octopus-up 
octopus: 7.2 -> 7.3
 2018-04-22 17:47:26 +00:00
Markus Kowalewski
1d0267b2e7
octopus: 7.2 -> 7.3 2018-04-22 08:43:19 -07:00
Timo Kaufmann
b93e1fbbfb jmol: init at 14.29.12 2018-04-21 20:41:21 -05:00
Alexander V. Nikolaev
0acec7e984 treewide: transition mesa to libGLU_combined 2018-02-24 17:06:49 +02:00
Alexander V. Nikolaev
1bc1909e5b treewide: transition from mesa_glu to libGLU 2018-02-24 17:05:43 +02:00
Jörg Thalheim
a0a3f674a7
Merge pull request #34094 from markuskowa/octopus-pr 
octopus: init at 7.2
 2018-02-10 14:14:01 +00:00
Markus Kowalewski
ec6e7c6eeb
octopus: init at 7.2 2018-01-27 16:23:04 -08:00