Phillip Seeber
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aa02e7f828
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avogadro2: initialise a translation repo
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2021-10-08 14:43:13 +02:00 |
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Phillip Seeber
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181689dfea
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avogadro2: 1.94.0 -> 1.95.1
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2021-10-08 14:26:19 +02:00 |
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github-actions[bot]
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2ad7b248e6
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Merge staging-next into staging
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2021-09-17 00:02:15 +00:00 |
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Robert Scott
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c1dac4490e
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Merge pull request #138061 from Stunkymonkey/switch-fetchFromGitLab
quantum-espresso,postgresql11Packages.pg_ed25519: switch to fetchFromGitlab
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2021-09-16 23:53:23 +01:00 |
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github-actions[bot]
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85bd312fb6
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Merge staging-next into staging
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2021-09-16 12:02:04 +00:00 |
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Markus Kowalewski
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bd69f3d627
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octopus: add CPU optimization flags
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2021-09-16 12:53:47 +02:00 |
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Felix Buehler
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64bac8e874
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quantum-espresso: switch to fetchFromGitLab
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2021-09-15 23:13:57 +02:00 |
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Markus Kowalewski
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d5c38a0d5c
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siesta: move gfortran to nativeBuildInputs
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2021-09-03 13:33:31 +02:00 |
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Markus Kowalewski
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9eb814fd96
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quantum-espresso: move gfortran to nativeBuildInputs
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2021-09-03 13:33:31 +02:00 |
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Markus Kowalewski
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eecadd3f3b
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openmolcas: move gfortran to nativeBuildInputs
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2021-09-03 13:33:31 +02:00 |
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Vladimir Serov
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8992ae0cff
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pymol: 2.3.0 -> 2.5.0
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2021-08-19 10:16:38 +03:00 |
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R. RyanTM
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72a522e795
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jmol: 14.31.46 -> 14.31.49
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2021-08-09 07:27:37 +00:00 |
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Sandro
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93ead26f57
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Merge pull request #130359 from sheepforce/avogadro2
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2021-08-08 13:07:33 +02:00 |
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Markus Kowalewski
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d26039d43b
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openmolcas: 21.02 -> 21.06
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2021-08-05 13:18:28 +02:00 |
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Markus Kowalewski
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7d3b20253f
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ergoscf: init at 3.8
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2021-08-04 00:29:52 +02:00 |
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Phillip Seeber
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9504a98c32
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avogadro2: init at 1.94.0
avogadro2: code-review suggestions
avogadro2: review comments
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2021-07-27 18:43:15 +02:00 |
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Frederik Rietdijk
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62370fb59a
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Merge remote-tracking branch 'upstream/master' into staging-next
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2021-07-26 09:19:44 +02:00 |
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R. RyanTM
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4e5b3b49e4
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jmol: 14.31.44 -> 14.31.46
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2021-07-24 09:22:42 +00:00 |
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github-actions[bot]
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5779c9a1dd
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Merge staging-next into staging
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2021-07-12 18:01:40 +00:00 |
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markuskowa
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cd55326158
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Merge pull request #129662 from sheepforce/cp2k
CP2K: init at 8.1.0
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2021-07-12 19:28:33 +02:00 |
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Markus Kowalewski
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77be900d67
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octopus: cleanup derivation
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2021-07-12 14:15:05 +02:00 |
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Markus Kowalewski
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0a1167fd0b
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octopus: 10.3 -> 10.5
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2021-07-12 13:31:28 +02:00 |
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Phillip Seeber
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e503e43a03
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cp2k: init at 8.2.0
cp2k: cleanup/formatting
cp2k: change license
cp2k: remove comment
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2021-07-09 11:27:35 +02:00 |
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Sandro
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43b68c4bca
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dkh: init at 1.2
Apply suggestions from code review
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2021-07-09 10:40:51 +02:00 |
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R. RyanTM
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0e2aad0d3f
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jmol: 14.31.42 -> 14.31.44
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2021-07-04 22:17:25 +00:00 |
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R. RyanTM
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f32e760b64
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gwyddion: 2.58 -> 2.59
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2021-07-03 11:56:51 +00:00 |
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R. RyanTM
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517fdc1aea
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jmol: 14.31.41 -> 14.31.42
|
2021-06-26 04:00:04 +00:00 |
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R. RyanTM
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f64fb8bd31
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jmol: 14.31.39 -> 14.31.41
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2021-06-22 19:47:51 -07:00 |
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Johannes Arnold
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0d635e2646
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element: init at 1.0.0
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2021-06-21 00:20:26 +02:00 |
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github-actions[bot]
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6d73490cb4
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Merge master into staging-next
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2021-05-26 01:11:31 +00:00 |
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R. RyanTM
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cb70ce62ab
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marvin: 21.3.0 -> 21.9.0
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2021-05-23 02:24:31 +00:00 |
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Michael Raskin
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d0fd8a029d
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Merge pull request #123281 from r-ryantm/auto-update/jmol
jmol: 14.31.38 -> 14.31.39
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2021-05-21 19:42:56 +00:00 |
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Markus Kowalewski
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40f276c07d
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openmolcas: 20.10 -> 21.02
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2021-05-19 13:44:46 +02:00 |
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R. RyanTM
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ea5ad2b8e0
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gwyddion: 2.57 -> 2.58
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2021-05-17 11:49:58 -07:00 |
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R. RyanTM
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9682a2a496
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jmol: 14.31.38 -> 14.31.39
|
2021-05-16 19:52:36 +00:00 |
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R. RyanTM
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4ff0c782a3
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jmol: 14.31.36 -> 14.31.38
|
2021-05-09 20:32:06 +00:00 |
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R. RyanTM
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5b7a76e2a6
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jmol: 14.31.35 -> 14.31.36
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2021-04-29 12:39:03 +00:00 |
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R. RyanTM
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3b3f141837
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marvin: 21.2.0 -> 21.3.0
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2021-03-25 17:58:45 +00:00 |
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R. RyanTM
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8ab6893632
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jmol: 14.31.34 -> 14.31.35
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2021-03-23 11:29:06 +00:00 |
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Sandro
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593cc0d5ee
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Merge pull request #111224 from r-ryantm/auto-update/gwyddion
gwyddion: 2.56 -> 2.57
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2021-03-21 05:22:26 +01:00 |
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R. RyanTM
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29bf7e2b89
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jmol: 14.31.32 -> 14.31.34
|
2021-03-14 01:06:53 -05:00 |
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R. RyanTM
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da4b660561
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jmol: 14.31.24 -> 14.31.32
|
2021-03-08 15:48:47 -05:00 |
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Lio李歐
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51512d843a
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quantum-espresso: enable on darwin
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2021-03-03 19:40:47 -08:00 |
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R. RyanTM
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4d89f50881
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jmol: 14.31.18 -> 14.31.24
|
2021-02-26 21:10:01 -05:00 |
|
R. RyanTM
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be145107b3
|
marvin: 21.1.0 -> 21.2.0
|
2021-02-10 14:38:25 +00:00 |
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AndersonTorres
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7e481eed2d
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chemtool: init at 1.6.14
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2021-02-03 08:48:32 -03:00 |
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Markus Kowalewski
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d23e5ca0b4
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openmolcas: fix license
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2021-02-01 13:28:51 +01:00 |
|
Markus Kowalewski
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56bf82e8a1
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molden: fix outdated URLs
|
2021-01-31 18:08:02 +01:00 |
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R. RyanTM
|
19842bc24d
|
marvin: 20.21.0 -> 21.1.0
|
2021-01-30 17:14:01 +00:00 |
|
R. RyanTM
|
efb1662586
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gwyddion: 2.56 -> 2.57
|
2021-01-29 22:49:53 +00:00 |
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