R. Ryantm
d0852f2fdf
cp2k: 2022.2 -> 2023.1
2023-01-14 20:34:50 +00:00
R. Ryantm
c6588f1cb5
jmol: 14.32.76 -> 14.32.83
2023-01-10 12:22:33 +00:00
Rick van Schijndel
9833d56c24
treewide: mark packages broken that never built on PLATFORM
...
Done with the help of https://github.com/Mindavi/nixpkgs-mark-broken
Tool is still WIP but this is one of the first results.
I manually audited the results and removed some results that were not valid.
Note that some of these packages maybe should have more constrained platforms set
instead of broken set, but I think not being perfectly correct is better than
just keep trying to build all these things and never succeeding.
Some observations:
- Some darwin builds require XCode tools
- aarch64-linux builds sometimes suffer from using gcc9
- gcc9 is getting older and misses some new libraries/features
- Sometimes tools try to do system detection or expect some explicit settings for
platforms that are not x86_64-linux
2022-12-13 21:40:12 +01:00
Sergei Trofimovich
e4d99ffc58
Merge pull request #201383 from yurket/d-seams_zhf_fix
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d-seams: fix failing build
2022-11-15 22:57:02 +00:00
yurket
4e4a021fd7
d-seams: fix failing builds
...
cxxopts failing to build with clang11:
/build/source/src/include/external/cxxopts.hpp:488:42: error: no member named 'numeric_limits' in namespace 'std'
if (u > static_cast<U>(-std::numeric_limits<T>::min()))
Use the patch from upstream, which updates cxxopts 2.2.0 -> 3.0.0
2022-11-15 14:05:05 -08:00
Aaron Jheng
678ccdf716
element: mark as broken on darwin
2022-11-14 02:16:43 +00:00
Markus Kowalewski
b931e2bb82
octopus: add arpack ILP64 check
2022-11-03 12:50:08 +01:00
R. Ryantm
f75ed7fcef
element: 1.0.0 -> 1.0.1
2022-11-01 18:43:56 +00:00
markuskowa
f67325ac2c
Merge pull request #197390 from markuskowa/upd-openmolcas
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openmolcas: 22.06 -> 22.10
2022-10-24 10:55:56 +02:00
Markus Kowalewski
bd5597dce4
openmolcas: 22.06 -> 22.10
2022-10-23 18:06:56 +02:00
Markus Kowalewski
f6771d4d15
octopus: 12.0 -> 12.1
2022-10-23 17:51:24 +02:00
R. Ryantm
68a8e9aa62
jmol: 14.32.75 -> 14.32.76
2022-10-05 04:43:26 +00:00
markuskowa
c17f8f9e76
Merge pull request #194421 from sheepforce/avogadro2
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avogadro2: 1.95.1 -> 1.97.0
2022-10-04 17:09:20 +02:00
Phillip Seeber
b070c222d1
avogadro2: 1.95.1 -> 1.97.0
2022-10-04 16:34:10 +02:00
Phillip Seeber
c75b4ee2f0
cp2k: 9.1.0 -> 2022.2
2022-10-04 15:42:45 +02:00
Dmitry Kalinkin
846f382e4b
Merge pull request #192660 from samlich/master
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pymol: use Qt instead of Tk; fixes #192555
2022-10-03 12:45:25 -04:00
Markus Kowalewski
4d6abfa6b4
octopus: 11.4 -> 12.0
2022-10-03 11:12:28 +02:00
R. Ryantm
8a60b7fbc4
jmol: 14.32.74 -> 14.32.75
2022-09-25 21:24:47 +00:00
samlich
ab3f0771a4
pymol: use Qt instead of Tk; fixes #192555
2022-09-23 19:35:44 +00:00
R. Ryantm
55e1e9a104
jmol: 14.32.73 -> 14.32.74
2022-09-12 07:15:47 +00:00
R. Ryantm
add9d281ce
jmol: 14.32.68 -> 14.32.73
2022-09-01 18:57:34 +00:00
Jonas Heinrich
c4fd9300ff
Merge pull request #184218 from r-ryantm/auto-update/gwyddion
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gwyddion: 2.60 -> 2.61
2022-08-28 13:01:46 +02:00
Jonas Heinrich
a289c54a90
Merge pull request #184365 from r-ryantm/auto-update/marvin
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marvin: 22.8.0 -> 22.13.0
2022-08-25 10:21:44 +02:00
R. Ryantm
c20b56187c
jmol: 14.32.66 -> 14.32.68
2022-08-16 13:39:44 +00:00
R. Ryantm
b5e7879cd9
marvin: 22.8.0 -> 22.13.0
2022-07-31 23:09:55 +00:00
R. Ryantm
01098c4dbd
jmol: 14.32.45 -> 14.32.66
2022-07-31 15:48:05 +00:00
R. Ryantm
0bba0f15dc
gwyddion: 2.60 -> 2.61
2022-07-31 13:37:38 +00:00
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
...
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
