Commits · 23cae3f230810b1dfd1d7a80de0838b291f42908 · SCITAS / Software stack / scitas-software-stacks · GitLab

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Feb 13, 2025
- Add namd with tcl support · 23cae3f2
  Daniel Filipe Jana authored 1 month ago
  
  23cae3f2
Jan 29, 2025
- Force namd to 3.0.1 · 79c1d4b6
  Daniel Filipe Jana authored 1 month ago
  
  79c1d4b6
- Constrain charmpp further · 2c909656
  Daniel Filipe Jana authored 1 month ago
  
  2c909656
Jan 28, 2025
- Force charmpp to ~cuda · abf94ab1
  Daniel Filipe Jana authored 1 month ago
  
  abf94ab1
- Added namd@3.0.1 to stack (gpu-only) · adc6ce4c
  Daniel Filipe Jana authored 1 month ago
  
  adc6ce4c
Jan 16, 2025
- Added matlab/R2024b due to updater issues with R2024a · 3c595a9c
  Daniel Filipe Jana authored 2 months ago
  
  3c595a9c
Dec 12, 2024
- removing the netcdf constraints · ab1e64f9
  Daniel Filipe Jana authored 3 months ago
  
  ab1e64f9
Dec 05, 2024
- yet another constraint change · b8b2bfda
  Daniel Filipe Jana authored 3 months ago
  
  b8b2bfda
Dec 04, 2024
- force hdf5 ~mpi constraint · 4509c5f8
  Daniel Filipe Jana authored 3 months ago
  
  4509c5f8
- force netcdf-c constraint · 1a424387
  Daniel Filipe Jana authored 3 months ago
  
  1a424387
- Add constraint to netcdf-c · f68f6727
  Daniel Filipe Jana authored 3 months ago
  
  f68f6727
- Corrected package definition · 7b19674e
  Daniel Filipe Jana authored 3 months ago
  
  7b19674e
Dec 02, 2024
- Force version 24 · b4420829
  Daniel Filipe Jana authored 3 months ago
  
  b4420829
- Added amber@24 · fef1ad76
  Daniel Filipe Jana authored 3 months ago
  
  fef1ad76
Nov 12, 2024
- Change group associated to fdtd · c69aff2f
  Daniel Filipe Jana authored 4 months ago
  
  c69aff2f
- Added ansys 2024R2 · f291c601
  Daniel Filipe Jana authored 4 months ago
  
  f291c601
Oct 29, 2024
- Future proofing the fdtd environment (thanks NR) · 6c83f47c
  Daniel Filipe Jana authored 4 months ago
  
  6c83f47c
Oct 24, 2024
- Added fdtd-2024 to the stack (external) · 2ebee9f7
  Daniel Filipe Jana authored 5 months ago
  
  2ebee9f7
Sep 30, 2024
- Remove requirement for gurobi version on packages_stack · 6bb82ea5
  Daniel Filipe Jana authored 5 months ago
  
  6bb82ea5
- Force specific gurobi version · 70f5375e
  Daniel Filipe Jana authored 5 months ago
  
  70f5375e
Sep 27, 2024
- Forcing latest version of gurobi · 3dda959e
  Nicolas Richart authored 5 months ago
  
  3dda959e
- moving definition · 5eebe2a2
  Nicolas Richart authored 5 months ago
  
  5eebe2a2
- Moving the license in a subfolder as required by the package.py and · 033c75de
  Nicolas Richart authored 5 months ago
  
  installing gurobi
  033c75de
- Added gurobi license file · 46c668db
  Daniel Filipe Jana authored 6 months ago and Nicolas Richart committed 5 months ago
  
  46c668db
- Simplifing by using default path · e03ce2fd
  Nicolas Richart authored 6 months ago
  
  e03ce2fd
- Adding support for licenses · a01a2ac6
  Nicolas Richart authored 6 months ago
  
  a01a2ac6
- Add gurobi 11 · b75e4e7b
  Daniel Filipe Jana authored 6 months ago and Nicolas Richart committed 5 months ago
  
  b75e4e7b
Sep 18, 2024
- Force ~mpi for all gromacs dependencies · c49fcba7
  Daniel Filipe Jana authored 6 months ago
  
  c49fcba7
Sep 17, 2024
- Add gromacs 2024 ~mpi · 63d2069c
  Daniel Filipe Jana authored 6 months ago
  
  63d2069c
Sep 09, 2024
- Add external package matrix · 240cc824
  Daniel Filipe Jana authored 6 months ago
  
  240cc824
- Mark explicit cuda%nvhpc · 5afa55da
  Nicolas Richart authored 6 months ago
  
  5afa55da
- Adding forward compatibility for cuda · 57070eee
  Nicolas Richart authored 6 months ago
  
  57070eee
Sep 05, 2024
- Adapting the oneapi definitions · c149fd6c
  Nicolas Richart authored 6 months ago
  
  c149fd6c
- Move definitions around, removes what does not compile · 7b06ae5b
  Nicolas Richart authored 6 months ago
  
  7b06ae5b
- Abaqus depends on intel · 5b89c458
  Nicolas Richart authored 6 months ago
  
  5b89c458
- Forcing superlu for oneapi · 39e3c456
  Nicolas Richart authored 6 months ago
  
  39e3c456
Sep 04, 2024
- Changing tmux version to 3.4 · c9d9e4d6
  Nicolas Richart authored 6 months ago
  
  c9d9e4d6
- Switching nvhpc to ucx-mt · 9453ea8c
  Nicolas Richart authored 6 months ago
  
  Cleaning the way to squashfs are handled
  9453ea8c
Sep 02, 2024
- Fix missing modules for acceleration · dd69994c
  Nicolas Richart authored 6 months ago
  
  dd69994c
- adding variable for nvhpc 24.7 · 838b328b
  Nicolas Richart authored 6 months ago
  
  838b328b