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72 commits

Author SHA1 Message Date
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quantum-espresso: remove outdated makefile fix 2019-04-03 15:00:17 +02:00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