Markus Kowalewski
432ddab26f
openmolcas: 22.02 -> 22.06
2022-06-17 13:49:13 +02:00
Robert Scott
3b6bc4b69c
treewide: set sourceProvenance for packages containing downloaded jars
...
these are the easily identifiable cases and will not be comprehensive
2022-06-04 19:47:57 +01:00
Rick van Schijndel
37c633f7ae
treewide: pkgs/applications: mark broken for darwin
2022-05-29 10:56:04 +02:00
Sergei Trofimovich
ff22bc1ff6
chemtool: add -fcommon workaround
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Workaround build failure on -fno-common toolchains like upstream
gcc-10. Otherwise build fails as:
ld: inout.o:/build/chemtool-1.6.14/ct1.h:279: multiple definition of
`outtype'; draw.o:/build/chemtool-1.6.14/ct1.h:279: first defined here
2022-05-13 21:30:28 +01:00
markuskowa
78075c4443
Merge pull request #172868 from markuskowa/upd-molcas
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openmolcas: 21.10 -> 22.02
2022-05-13 18:07:39 +02:00
Markus Kowalewski
45083c5d1d
openmolcas: 21.10 -> 22.02
...
* make MPI optional instead of default
* allow optional MKL build/switch wrapped BLAS interface
2022-05-13 17:06:11 +02:00
Markus Kowalewski
1e2065983e
octopus: 11.3 -> 11.4
2022-05-11 14:01:02 +02:00
Markus Kowalewski
5fd7f4ef82
molden: unbreak build, make compatible with gcc-10
2022-05-10 17:01:35 +02:00
Markus Kowalewski
de869f039d
siesta: fix hardcoded path to rm
2022-05-10 12:53:22 +02:00
Artturi
6d007b2ce4
Merge pull request #172250 from Artturin/ridofnulls
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remove some useless null asserts
2022-05-10 04:24:31 +03:00
Artturin
5007ea281d
gwyddion: remove useless nulls
2022-05-10 00:56:23 +03:00
Markus Kowalewski
a5e2f0f410
siesta: fix build for gcc/gfortran-10/11
2022-05-09 14:31:16 +02:00
R. Ryantm
1f032adb49
jmol: 14.32.39 -> 14.32.45
2022-04-04 22:28:33 +00:00
7c6f434c
1dfd957336
Merge pull request #165570 from r-ryantm/auto-update/jmol
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jmol: 14.32.33 -> 14.32.39
2022-03-28 07:52:03 +00:00
R. Ryantm
a7f7b6977f
marvin: 22.7.0 -> 22.8.0
2022-03-24 10:35:36 +00:00
R. Ryantm
a4bf7fed59
jmol: 14.32.33 -> 14.32.39
2022-03-24 06:38:50 +00:00
R. Ryantm
6d61669d69
jmol: 14.32.30 -> 14.32.33
2022-03-13 16:20:57 +00:00
R. Ryantm
e0c3da7946
jmol: 14.32.28 -> 14.32.30
2022-03-08 16:34:40 +00:00
R. Ryantm
f3288c60f0
marvin: 22.3.0 -> 22.7.0
2022-03-06 07:45:27 +00:00
R. Ryantm
f5258a7d12
jmol: 14.32.24 -> 14.32.28
2022-03-03 23:44:55 +00:00
Felix Buehler
1573dbdcd0
treewide: fix versions starting with 'v'
2022-02-28 13:05:18 +01:00
K900
cb2cfba6f7
treewide: switch all desktop file generators to new API
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Notably:
- remove explicit arguments that match the defaults
- convert everything to the right Nix types
2022-02-25 13:40:38 -08:00
R. Ryantm
1b8518cadd
jmol: 14.32.21 -> 14.32.24
2022-02-24 08:42:12 +00:00
Mario Rodas
94723d21f9
Merge pull request #159540 from r-ryantm/auto-update/marvin
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marvin: 21.20.0 -> 22.3.0
2022-02-19 15:59:08 -05:00
Sandro
5c5a8df724
Merge pull request #156420 from azuwis/transfig
2022-02-16 00:49:28 +01:00
Zhong Jianxin
507b23f0d1
chemtool: Set platforms to linux
2022-02-15 10:49:51 +08:00
R. Ryantm
099fefbceb
jmol: 14.32.6 -> 14.32.21
2022-02-15 02:42:04 +00:00
R. Ryantm
983beb2b8b
marvin: 21.20.0 -> 22.3.0
2022-02-12 12:52:40 +00:00
Markus Kowalewski
bb6bc8b315
molden: fix download URL
2022-01-20 15:47:46 +01:00
Phillip Seeber
afdfec504f
cp2k: 8.2.0 -> 9.1.0
2022-01-10 13:54:46 +01:00
R. Ryantm
edceb1ed24
jmol: 14.32.2 -> 14.32.6
2021-12-30 20:51:37 +00:00
R. Ryantm
c89a5a2e6a
marvin: 21.18.0 -> 21.20.0
2021-12-25 18:03:44 +00:00
Ryan Mulligan
9e570d0034
Merge pull request #150031 from r-ryantm/auto-update/jmol
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jmol: 14.31.49 -> 14.32.2
2021-12-11 16:23:05 -08:00
Jörg Thalheim
453b06c677
Merge pull request #150121 from markuskowa/fix-cp2k
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cp2k: make elpa optional
2021-12-11 14:04:41 +00:00
Jörg Thalheim
953bdd43bf
Merge pull request #150124 from r-ryantm/auto-update/gwyddion
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gwyddion: 2.59 -> 2.60
2021-12-11 13:31:59 +00:00
R. Ryantm
7bbf6a048b
gwyddion: 2.59 -> 2.60
2021-12-10 20:19:55 +00:00
Markus Kowalewski
6d1f54dc5d
cp2k: make elpa optional
2021-12-10 20:56:21 +01:00
R. Ryantm
a1fa86e691
jmol: 14.31.49 -> 14.32.2
2021-12-10 10:13:57 +00:00
R. Ryantm
806d3e25cd
marvin: 21.9.0 -> 21.18.0
2021-12-09 19:20:04 +00:00
Markus Kowalewski
53f32adc65
cp2k: build with elpa
2021-12-02 17:22:41 +01:00
Markus Kowalewski
8fb36866b8
octopus: 11.2 -> 11.3
2021-11-28 00:04:47 +01:00
markuskowa
db93862a2c
Merge pull request #145614 from sheepforce/openmolcas
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openmolcas: 21.06 -> 21.10
2021-11-12 13:26:38 +01:00
Phillip Seeber
c810f7befc
openmolcas: 20.06 -> 20.10
2021-11-12 11:52:30 +01:00
Phillip Seeber
ca7dd700e5
octopus: 10.5 -> 11.2
2021-11-12 11:47:59 +01:00
Felix Buehler
b52ab3b712
pkgs/applications: rename name to pname&version part 2
2021-11-07 14:53:06 +01:00
markuskowa
14ab975a71
Merge pull request #140975 from sheepforce/avogadro2-updates
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avogadro2: 1.94.0 -> 1.95.1
2021-10-08 22:02:11 +02:00
Phillip Seeber
aa02e7f828
avogadro2: initialise a translation repo
2021-10-08 14:43:13 +02:00
Phillip Seeber
181689dfea
avogadro2: 1.94.0 -> 1.95.1
2021-10-08 14:26:19 +02:00
Bruno Bzeznik
fe36d93cea
siesta: 4.1-b3 -> 4.1.5
2021-10-05 22:46:40 +02:00
github-actions[bot]
2ad7b248e6
Merge staging-next into staging
2021-09-17 00:02:15 +00:00
