Commits · 3bb4a474e204267612d7706f17da775fa5846e48 · SCITAS / Software stack / scitas-software-stacks · GitLab

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Apr 24, 2025
- Merge branch 'fix/plumed-drr' into 'main' · 3bb4a474
  Nicolas Richart authored 2 months ago
  3bb4a474
- Merge remote-tracking branch 'origin/main' into fix/plumed-drr · c8a1c02b
  Nicolas Richart authored 2 months ago
  
  c8a1c02b
- Making apptainer by hand more generic · 3aa80e95
  Nicolas Richart authored 2 months ago
  
  3aa80e95
- Adding newer gromacs with newer plumed to get drr working · 188ada7a
  Nicolas Richart authored 2 months ago
  
  188ada7a
Apr 22, 2025
- Adding require to plumed to not get weird concretization · 439e3c11
  Nicolas Richart authored 2 months ago
  
  439e3c11
Apr 10, 2025
- Merge branch 'fix/helvetios' into 'main' · 7479046d
  Nicolas Richart authored 2 months ago
  7479046d
Apr 04, 2025
- Removing helvetios from the matrix and make it possible to deploy from different runners · c785f013
  Nicolas Richart authored 2 months ago
  
  c785f013
Mar 26, 2025
- Merge branch 'packages/relion5' into 'main' · 59485d85
  Daniel Filipe Jana authored 3 months ago
  59485d85
Mar 25, 2025
- Added relion@5.0.0 · 44988a64
  Daniel Filipe Jana authored 3 months ago
  
  44988a64
Mar 13, 2025
- Merge branch 'packages/gmsh' into 'main' · 76cb3cff
  Nicolas Richart authored 3 months ago
  76cb3cff
- typo · e7d438ad
  Daniel Filipe Jana authored 3 months ago
  
  e7d438ad
- parallel version with ~petsc compiles on kuma · b54d2d59
  Daniel Filipe Jana authored 3 months ago
  
  b54d2d59
- remove parallel version (doesn.t build on kuma) · ea7c02d7
  Daniel Filipe Jana authored 3 months ago
  
  ea7c02d7
- move gmsh to non python section (solves +doc issues) · cc9f1389
  Daniel Filipe Jana authored 3 months ago
  
  cc9f1389
- Merge branch 'packages/correct_cdo' into 'main' · e657ae4a
  Nicolas Richart authored 3 months ago
  e657ae4a
- corrections following Nico.s comments · 2a0f981a
  Daniel Filipe Jana authored 3 months ago
  
  2a0f981a
- Merge branch 'ci/adding-linters' into 'main' · 472e6e09
  Daniel Filipe Jana authored 3 months ago
  472e6e09
Mar 12, 2025
- Adding missing file · 798c59e7
  Nicolas Richart authored 3 months ago
  
  798c59e7
- Reordering stages · 9fb21cf0
  Nicolas Richart authored 3 months ago
  
  9fb21cf0
- Adding linters (should make components for this) · 1a9f8c45
  Nicolas Richart authored 3 months ago
  
  1a9f8c45
- removing the broken cdo · 851d20a3
  Daniel Filipe Jana authored 3 months ago
  
  851d20a3
Mar 11, 2025
- Merge branch 'packages/ansys-2025' into 'main' · 3fdf390c
  Nicolas Richart authored 3 months ago
  3fdf390c
- add corrected version of cdo · 560a1a77
  Daniel Filipe Jana authored 3 months ago
  
  560a1a77
Mar 10, 2025
- Added ansys@2025R1 · 7f677e1d
  Daniel Filipe Jana authored 3 months ago
  
  7f677e1d
Mar 03, 2025
- Add gmsh to stack · cd7bf30a
  Daniel Filipe Jana authored 3 months ago
  
  cd7bf30a
- Merge branch 'packages/cdo' into 'main' · 5ab3abea
  Nicolas Richart authored 3 months ago
  5ab3abea
- Merge branch 'packages/namd-tcl' into 'main' · a79e7140
  Nicolas Richart authored 3 months ago
  a79e7140
- Merge branch 'main' into packages/cdo · e6121219
  Nicolas Richart authored 3 months ago
  
  e6121219
- Merge branch 'main' into packages/namd-tcl · 7fb84557
  Nicolas Richart authored 3 months ago
  
  7fb84557
- Merge branch 'ddossant-main-patch-02033' into 'main' · 03f6f775
  Daniel Filipe Jana authored 3 months ago
  03f6f775
- To correct the partition/qos on Izar, following some changes to the machine configuration · be8ff8ba
  Daniel Filipe Jana authored 3 months ago
  
  be8ff8ba
Feb 28, 2025
- Add cdo to the stack · 6013ab6b
  Daniel Filipe Jana authored 4 months ago
  
  6013ab6b
- Updating gitlab-ci file since the sysadmins removed the izar partition · b8fa18bb
  Daniel Filipe Jana authored 4 months ago
  
  b8fa18bb
- keeping both versions · dc659d50
  Daniel Filipe Jana authored 4 months ago
  
  dc659d50
Feb 14, 2025
- make namd interface=tcl generic · 6268d796
  Daniel Filipe Jana authored 4 months ago
  
  6268d796
Feb 13, 2025
- Add namd with tcl support · 23cae3f2
  Daniel Filipe Jana authored 4 months ago
  
  23cae3f2
Feb 07, 2025
- Merge branch 'packages/namd' into 'main' · a8aad1cc
  Nicolas Richart authored 4 months ago
  a8aad1cc
Jan 29, 2025
- Force namd to 3.0.1 · 79c1d4b6
  Daniel Filipe Jana authored 4 months ago
  
  79c1d4b6
- Constrain charmpp further · 2c909656
  Daniel Filipe Jana authored 4 months ago
  
  2c909656
Jan 28, 2025
- Force charmpp to ~cuda · abf94ab1
  Daniel Filipe Jana authored 5 months ago
  
  abf94ab1