Markus Kowalewski
1ba79ed57f
openmolcas: set platform to x86-64-linux
...
This is the main development platforms. Others are not
officially supported.
2020-12-26 16:58:58 +01:00
Markus Kowalewski
c3fadb95f4
openmolcas: fix fallout from #83888
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Removed non-functional lines.
Openmolcas does not build with the blas/lapack switching mechanism
2020-12-26 01:55:46 +01:00
Markus Kowalewski
e90cff90f1
openmolcas: fix hash
2020-11-30 23:05:14 +01:00
R. RyanTM
e5f757954a
jmol: 14.31.17 -> 14.31.18
2020-11-28 06:51:19 +00:00
Timo Kaufmann
e04721b289
Merge pull request #104083 from timokau/sage-maintainers-team
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maintainers: create sage team
2020-11-19 19:20:49 +01:00
R. RyanTM
5a4772e260
marvin: 20.19.0 -> 20.20.0
2020-11-18 21:03:39 +00:00
Timo Kaufmann
ff8338343b
maintainers: create sage team
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Maintaining all the packages whose updates might break some aspect of
sage.
For reference:
https://github.com/NixOS/nixpkgs/pull/103810#issuecomment-727536510
2020-11-18 21:27:37 +01:00
R. RyanTM
dd8591d752
jmol: 14.31.14 -> 14.31.17
2020-11-13 22:05:46 +00:00
Ryan Mulligan
4ee1f7bc2c
Merge pull request #102582 from r-ryantm/auto-update/marvin
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marvin: 20.17.0 -> 20.19.0
2020-11-03 14:56:38 -08:00
R. RyanTM
aea6594c69
marvin: 20.17.0 -> 20.19.0
2020-11-03 04:38:29 +00:00
R. RyanTM
3d40283367
jmol: 14.31.3 -> 14.31.14
2020-11-02 12:07:07 +00:00
Markus Kowalewski
2eee4e4eac
openmolcas: 19.11 -> 20.10
2020-10-19 14:13:08 +02:00
Markus Kowalewski
8b02ff6b8e
openmolcas: fix build w.r.t. openblas
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Fall out from switching openblas over to multiple outputs:
https://github.com/NixOS/nixpkgs/pull/98337
2020-10-19 14:00:48 +02:00
R. RyanTM
0765b507f9
jmol: 14.31.2 -> 14.31.3
2020-09-23 23:36:41 -07:00
R. RyanTM
ee4c871ecd
marvin: 20.16.0 -> 20.17.0
2020-08-26 12:52:34 +00:00
Rohit Goswami
620f9049ae
d-seams: init at 1.0.1
2020-08-15 19:36:04 +00:00
Ryan Mulligan
ea39525ae7
Merge pull request #94779 from r-ryantm/auto-update/marvin
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marvin: 20.15.0 -> 20.16.0
2020-08-09 12:45:42 -07:00
Markus Kowalewski
6c2f1e7f6b
octopus: 9.2 -> 10.0
2020-08-07 12:53:54 +02:00
R. RyanTM
4e6f70eaf8
marvin: 20.15.0 -> 20.16.0
2020-08-06 10:10:49 +00:00
Timo Kaufmann
9aab32b51c
Merge pull request #92796 from r-ryantm/auto-update/jmol
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jmol: 14.31.0 -> 14.31.2
2020-07-09 18:43:50 +02:00
R. RyanTM
46e8ec7927
jmol: 14.31.0 -> 14.31.2
2020-07-09 14:44:34 +00:00
R. RyanTM
02fe1ec6ec
gwyddion: 2.55 -> 2.56
2020-07-07 10:11:50 -07:00
R. RyanTM
c0ebe721a9
marvin: 20.13.0 -> 20.15.0
2020-07-05 15:06:16 +00:00
Ryan Mulligan
d456800b17
Merge pull request #90045 from r-ryantm/auto-update/marvin
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marvin: 20.12.0 -> 20.13.0
2020-06-10 06:01:10 -07:00
R. RyanTM
0f890be404
marvin: 20.12.0 -> 20.13.0
2020-06-10 12:01:26 +00:00
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
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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
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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
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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)
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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
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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
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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
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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
