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AgeCommit message (Expand)AuthorFilesLines
2023-12-25Revert "gwyddion: mark as broken"Doron Behar1-1/+2
2023-12-18avogadro2: 1.97.0 -> 1.98.1Phillip Seeber1-4/+4
2023-12-17jmol: 16.1.45 -> 16.1.47R. Ryantm1-2/+2
2023-12-10gwyddion: mark as brokenAaron Jheng1-2/+1
2023-12-04quantum-espresso: 6.6 -> 7.2Phillip Seeber1-13/+91
2023-11-22jmol: 16.1.43 -> 16.1.45R. Ryantm1-2/+2
2023-11-14Merge master into staging-nextgithub-actions[bot]1-2/+9
2023-11-14treewide: make 'gpuBackend' use 'config.(cuda|rocm)Support'Madoura1-2/+9
2023-11-07Merge master into staging-nextgithub-actions[bot]1-2/+2
2023-11-06Merge pull request #265514 from xworld21/treewide-texlive-with-packagesDmitry Kalinkin1-2/+2
2023-11-06Merge master into staging-nextgithub-actions[bot]1-2/+2
2023-11-05nwchem: 7.2.1 -> 7.2.2Markus Kowalewski1-2/+2
2023-11-05openmolcas: replace texlive.combined.scheme-minimal with texliveMinimalVincenzo Mantova1-2/+2
2023-11-04Merge branch 'master' into staging-nextWeijia Wang1-2/+2
2023-11-04gwyddion: 2.63 -> 2.64R. Ryantm1-2/+2
2023-11-03Merge pull request #264692 from wegank/gdal-fix-preOTABI Tomoya1-0/+8
2023-11-01apbs: fix build with clang 16Weijia Wang1-0/+8
2023-10-28Merge master into staging-nextgithub-actions[bot]1-2/+2
2023-10-28Merge pull request #263844 from r-ryantm/auto-update/jmolmarkuskowa1-2/+2
2023-10-28Merge master into staging-nextgithub-actions[bot]1-1/+2
2023-10-27jmol: 16.1.41 -> 16.1.43R. Ryantm1-2/+2
2023-10-27cp2k: allow fortran argument mismatchesPhillip Seeber1-1/+2
2023-10-20gwyddion: add libGL build inputAlyssa Ross1-2/+2
2023-10-19Merge master into staging-nextgithub-actions[bot]1-3/+3
2023-10-19openmolcas: 23.06 -> 23.10Phillip Seeber1-3/+3
2023-10-13Merge master into staging-nextgithub-actions[bot]1-2/+2
2023-10-13Merge pull request #257390 from r-ryantm/auto-update/gwyddionWeijia Wang1-2/+2
2023-10-13Merge master into staging-nextgithub-actions[bot]1-2/+2
2023-10-13Merge pull request #260341 from r-ryantm/auto-update/marvinWeijia Wang1-2/+2
2023-10-13marvin: sha256 -> hashWeijia Wang1-1/+1
2023-10-11Merge master into staging-nextgithub-actions[bot]1-2/+5
2023-10-11Merge pull request #260254 from markuskowa/upd-nwchemmarkuskowa1-2/+5
2023-10-11marvin: 23.4.0 -> 23.12.0R. Ryantm1-2/+2
2023-10-10Merge remote-tracking branch 'origin/master' into staging-nextFabián Heredia Montiel1-7/+9
2023-10-10nwchem: 7.2.0 -> 7.2.1Markus Kowalewski1-2/+5
2023-10-09rocm-related: fixup for ROCm 5.7.0Madoura1-7/+9
2023-10-09Merge master into staging-nextgithub-actions[bot]1-13/+85
2023-10-09cp2k: enable GPU offloading, sirius planewaves and optimisationsPhillip Seeber1-13/+85
2023-10-06Merge pull request #259253 from Artturin/pyfixes1Artturi1-0/+4
2023-10-06apbs: fix py311 buildArtturin1-0/+4
2023-10-05wxmacmolplt: fix linkingPhillip Seeber1-0/+2
2023-10-03openmolcas: use getDev to pickup libxc includesMarkus Kowalewski1-1/+1
2023-10-02Merge pull request #258211 from markuskowa/fix-nwchemmarkuskowa1-2/+1
2023-10-02Merge pull request #258190 from markuskowa/fix-cp2kmarkuskowa1-0/+1
2023-10-02cp2k: fix libxc includes (use getDev)Markus Kowalewski1-1/+1
2023-10-02Merge pull request #258501 from r-ryantm/auto-update/jmolMauricio Collares1-2/+2
2023-10-02jmol: 16.1.39 -> 16.1.41R. Ryantm1-2/+2
2023-09-30cp2k: fix libxsmm includes (use getDev)Markus Kowalewski1-1/+1
2023-09-30nwchem: remove test jobs from outputMarkus Kowalewski1-2/+1
2023-09-30c2pk: remove unit tests from outputMarkus Kowalewski1-0/+1
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