Commits · 14ef428094e4a9814bd25dae14d9f22db2d7f570 · schwede / openstructure

Nov 09, 2020
- Update version to 2.2.0 · 14ef4280
  Studer Gabriel authored 4 years ago
  
  View commits for tag 2.2.0-rc 2.2.0-rc
  
  14ef4280
Jul 23, 2020
- Update version to 2.1.0 · 74ba9aa5
  B13nch3n authored 4 years ago
  
  View commits for tag 2.1.0-rc 2.1.0-rc
  
  74ba9aa5
Mar 26, 2020
- Use a more verbose Docker image tag · 2ffad164
  Bienchen authored 5 years ago
  
  2ffad164
Mar 11, 2020
- Fix bump-cersion script and Singularity file · 5ae2daca
  Bienchen authored 5 years ago
  
  5ae2daca
Feb 26, 2020
- Fixed Jupyter in the Sungularity container · 5eeb6063
  Bienchen authored 5 years ago
  
  5eeb6063
Feb 25, 2020
- Put SIngularity under bump_version.py control · 74704c02
  Bienchen authored 5 years ago
  
  74704c02
Feb 20, 2020
- SCHWED-4635: Updated Singularity documentation & container build instructions · 17810375
  Bienchen authored 5 years ago
  
  17810375
Jan 13, 2020
- SCHWED-4556: ensure six is available in venv · 454694ec
  Gerardo Tauriello authored 5 years ago
  
  Otherwise, 'apt-get autoremove -y' may uninstall it and IPython/Jupyter fails.
  454694ec
Jan 10, 2020
- Update version to 1.11.0 · 99855c18
  Gerardo Tauriello authored 5 years ago
  
  99855c18
Dec 16, 2019
- don't use virtualenv to make container simpler · 84430c06
  Studer Gabriel authored 5 years ago
  
  84430c06
Dec 09, 2019
- Python 3 Singularity Container · 60dcf524
  Studer Gabriel authored 5 years ago
  
  biggest change: make it rely on ost docker-container as base image
  60dcf524
Jul 10, 2019
- Update version to 1.10.0 · 9bf0ff3a
  Gerardo Tauriello authored 5 years ago
  
  View commits for tag 1.10.0-rc 1.10.0-rc
  
  9bf0ff3a
Jul 04, 2019
- SCHWED-4329: Stop overcomplicating Singularity recipe naming. · 35c3954a
  Gerardo Tauriello authored 5 years ago
  
  35c3954a
Jan 15, 2019
- remove evil tabs · bbcd0d77
  Studer Gabriel authored 6 years ago
  
  bbcd0d77
- container recipes for Docker/Singularity with Qt5 · 22276d9f
  Studer Gabriel authored 6 years ago
  
  Both require tag 1.10.0, therefore not working yet
  22276d9f
Jan 10, 2019
- update Docker and Singularity files to use with SQLite3 · f503f663
  Studer Gabriel authored 6 years ago
  
  f503f663
Nov 22, 2018
- Update version to 1.9.0 · 3ddfa104
  Gerardo Tauriello authored 6 years ago
  
  3ddfa104
Oct 23, 2018
- Fix charmm update of compounds.chemlib in recipes. · bffabd2b
  Gerardo Tauriello authored 6 years ago
  
  bffabd2b
Sep 26, 2018
- fix: Export OPENMM_LIB_PATH · cfe7f18f
  Rafal Gumienny authored 6 years ago
  
  cfe7f18f
Aug 14, 2018
- Update version to 1.8.0 · 15de42b9
  Gerardo Tauriello authored 6 years ago
  
  View commits for tag 1.8.0-rc 1.8.0-rc
  
  15de42b9
- fix: Singularity update nglview · 87645e74
  Rafal Gumienny authored 6 years ago
  
  87645e74
Jul 20, 2018
- fix: Update DSSP URL in Singularity · 1f86bfe5
  Rafal Gumienny authored 6 years ago
  
  1f86bfe5
Mar 16, 2018
- Removed use of env. variable in Singularity-OST help message. · ce80b56a
  Gerardo Tauriello authored 7 years ago
  
  ce80b56a
Mar 14, 2018
- docs: SCHWED-3097 More documentation · 56112523
  Rafal Gumienny authored 7 years ago
  
  56112523
- docs: SCHWED-3097 More help in singularity image · 765e63a3
  Rafal Gumienny authored 7 years ago
  
  765e63a3
- fix: SCHWED-3097 Add IPython OST app · 1b1874c6
  Rafal Gumienny authored 7 years ago
  
  1b1874c6
- fix: SCHWED-3097 Lower the size of the image · de091bbf
  Rafal Gumienny authored 7 years ago
  
  de091bbf
- fix: SCHWED-3097 Proper app run command · c3b5f328
  Rafal Gumienny authored 7 years ago
  
  c3b5f328
- fix: SCHWED-3097 Fix broken locales · 655bc6d0
  Rafal Gumienny authored 7 years ago
  
  655bc6d0
Mar 13, 2018
- fix: SCHWED-3097 Some commands do not need virtualenv · 8cd2d0a4
  Rafal Gumienny authored 7 years ago
  
  8cd2d0a4
- feat: SCHWED-3097 Add Singularity definition file · 143ea897
  Rafal Gumienny authored 7 years ago
  
  143ea897