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8300 Commits

Author SHA1 Message Date
markuskowa
8553dcf2e2
Merge pull request #262252 from r-ryantm/auto-update/gromacs 
gromacs: 2023.2 -> 2023.3
 2023-10-20 18:07:22 +02:00
R. Ryantm
1daf6722ed gromacs: 2023.2 -> 2023.3 2023-10-20 09:17:18 +00:00
OTABI Tomoya
0a18e1f929
Merge pull request #249750 from natsukium/bioawk/init 
bioawk: init at unstable-2017-09-11
 2023-10-20 17:59:30 +09:00
markuskowa
bab9ed9e26
Merge pull request #262058 from sheepforce/openmolcas 
openmolcas: 23.06 -> 23.10
 2023-10-19 17:25:11 +02:00
Phillip Seeber
b36fb3932c openmolcas: 23.06 -> 23.10 2023-10-19 15:23:43 +02:00
R. Ryantm
db6910471f alt-ergo: 2.5.1 -> 2.5.2 2023-10-19 06:27:42 +00:00
Weijia Wang
369ab55a00
Merge pull request #250633 from jue89/add-horizonpy 
python311Packages.horizon-eda: init at 2.5.0
 2023-10-19 01:18:01 +02:00
Juergen Fitschen
4c62088101 python311Packages.horizon-eda: init at 2.5.0 2023-10-19 01:03:34 +02:00
Juergen Fitschen
f203901b4f horizon-eda: clarify package license 
Source: https://github.com/horizon-eda/horizon/blob/v2.5.0/org.horizon_eda.HorizonEDA.metainfo.xml#L6
 2023-10-18 23:23:59 +02:00
Weijia Wang
afc40db179
Merge pull request #260244 from r-ryantm/auto-update/kstars 
kstars: 3.6.6 -> 3.6.7
 2023-10-17 23:51:35 +02:00
R. Ryantm
8450377782 nvc: 1.10.3 -> 1.10.4 2023-10-17 11:36:40 +00:00
Weijia Wang
60fefd4cce
Merge pull request #261506 from wegank/tulip-bump 
tulip: 5.6.1 -> 5.7.2
 2023-10-17 07:48:54 +02:00
Weijia Wang
9f628e292e tulip: 5.6.1 -> 5.7.2 2023-10-17 00:10:30 +02:00
Henner Zeller
10e4eb07ad surelog: 1.73 -> 1.76 2023-10-15 09:30:13 -05:00
Henner Zeller
b2dad8840a uhdm: 1.74 -> 1.76 2023-10-15 09:30:13 -05:00
Weijia Wang
4a6dff8f83 drgeo: drop 2023-10-15 01:01:30 -03:00
Weijia Wang
64b7031b1b
Merge pull request #259657 from r-ryantm/auto-update/calc 
calc: 2.14.3.5 -> 2.15.0.1
 2023-10-15 01:52:26 +02:00
R. Ryantm
d89c2af58a bowtie2: 2.5.1 -> 2.5.2 2023-10-14 10:06:32 +00:00
Weijia Wang
7a15f4b3a7
Merge pull request #257390 from r-ryantm/auto-update/gwyddion 
gwyddion: 2.61 -> 2.63
 2023-10-13 02:05:13 +02:00
Weijia Wang
db5c152f0e
Merge pull request #260341 from r-ryantm/auto-update/marvin 
marvin: 23.4.0 -> 23.12.0
 2023-10-13 01:39:00 +02:00
Weijia Wang
bc0e786a54
marvin: sha256 -> hash 
Co-authored-by: Christina Sørensen <christina@cafkafk.com>
 2023-10-13 00:00:21 +02:00
OTABI Tomoya
e8f331680d
Merge pull request #259418 from natsukium/blast-bin/update 
blast-bin: 2.13.0 -> 2.14.1
 2023-10-12 23:49:59 +09:00
markuskowa
094ca95e01
Merge pull request #259737 from markuskowa/split-gromacs 
gromacs: use multiple outputs
 2023-10-12 09:45:50 +02:00
markuskowa
503a9f572d
Merge pull request #260254 from markuskowa/upd-nwchem 
nwchem: 7.2.0 -> 7.2.1
 2023-10-11 11:09:13 +02:00
R. Ryantm
6a927f93f1 marvin: 23.4.0 -> 23.12.0 2023-10-11 03:10:59 +00:00
Bernardo Meurer
fd1b81464c
Merge pull request #258328 from Madouura/pr/rocm-update 2023-10-10 16:20:36 -04:00
Weijia Wang
69926af81f
Merge pull request #260203 from wegank/cryptoverif-bump 
cryptoverif: 2.05 -> 2.07
 2023-10-10 20:27:00 +02:00
Weijia Wang
5a27d05b4b
Merge pull request #260233 from r-ryantm/auto-update/kissat 
kissat: 3.1.0 -> 3.1.1
 2023-10-10 18:42:52 +02:00
Markus Kowalewski
ceff926e7b nwchem: 7.2.0 -> 7.2.1 2023-10-10 18:12:57 +02:00
R. Ryantm
6f3c4aa963 kstars: 3.6.6 -> 3.6.7 2023-10-10 15:13:46 +00:00
R. Ryantm
bd39164038 kissat: 3.1.0 -> 3.1.1 2023-10-10 14:10:55 +00:00
Weijia Wang
4d34cbeece cntk: drop 2023-10-10 10:38:21 -03:00
Weijia Wang
2890949ab5 cryptoverif: 2.05 -> 2.07 2023-10-10 14:23:06 +02:00
Ryan Mulligan
98deb47f4f
Merge pull request #260039 from r-ryantm/auto-update/cadical 
cadical: 1.5.3 -> 1.8.0
 2023-10-10 04:18:42 -07:00
R. Ryantm
cc7d88f247 gama: 2.25 -> 2.26 2023-10-10 03:25:45 +00:00
Madoura
e6f88a9a82
rocm-related: fixup for ROCm 5.7.0 
blender: fixup for ROCm 5.7.0

opensycl: fixup for ROCm 5.7.0

magma: fixup for ROCm 5.7.0

torch: fixup for ROCm 5.7.0

cp2k: fixup for ROCm 5.7.0

sirius: fixup for ROCm 5.7.0

spfft: fixup for ROCm 5.7.0

spla: fixup for ROCm 5.7.0
 2023-10-09 17:03:19 -05:00
Guillaume Maudoux
07215db4cb
Merge pull request #259398 from whonore/update-dafny-4.3.0 2023-10-09 21:19:33 +02:00
R. Ryantm
f61509d8f3 cadical: 1.5.3 -> 1.8.0 2023-10-09 18:01:10 +00:00
markuskowa
b7129e447b
Merge pull request #258863 from sheepforce/cp2k 
cp2k: enable SIRIUS planewave code and optimisations
 2023-10-09 13:34:25 +02:00
Phillip Seeber
dcd7efd1f9 cp2k: enable GPU offloading, sirius planewaves and optimisations 2023-10-09 10:48:16 +02:00
Markus Kowalewski
e3638150f2 gromacs: split outputs 
fix patching of pkgconfig files
 2023-10-08 11:29:14 +02:00
R. Ryantm
703a27178b calc: 2.14.3.5 -> 2.15.0.1 2023-10-08 00:09:19 +00:00
Luflosi
ec38bafb02 abc-verifier: unstable-2023-06-28 -> unstable-2023-09-13 2023-10-07 11:52:04 -05:00
natsukium
d60c85fb75
blast-bin: add sourceProvenance to meta 2023-10-07 10:12:24 +09:00
whonore
4b36cd01b3 dafny: 4.2.0 -> 4.3.0 2023-10-06 15:48:28 -04:00
natsukium
3dc0f1e7b7
blast-bin: 2.13.0 -> 2.14.1 
Changelog: https://www.ncbi.nlm.nih.gov/books/NBK131777/#_Blast_ReleaseNotes_BLAST_2_14_1_August_2_
 2023-10-07 01:59:18 +09:00
natsukium
96178c29a4
truvari: 4.0.0 -> 4.1.0 
Diff: https://github.com/ACEnglish/truvari/compare/v4.0.0...v4.1.0

Changelog: https://github.com/ACEnglish/truvari/releases/tag/v4.1.0
 2023-10-07 01:30:27 +09:00
natsukium
776b2694a3
truvari: add meta.changelog 2023-10-07 01:30:27 +09:00
Justin Bedo
e347cca9f8
delly: 1.1.6 -> 1.1.7 
Diff: https://github.com/dellytools/delly/compare/v1.1.6...1.1.7
 2023-10-06 14:12:05 +11:00
Phillip Seeber
fe9344689d wxmacmolplt: fix linking 2023-10-05 18:09:35 +02:00