Commits · a1872faeb66dfa68ba367b9698288e5d5ebfe59b · schwede / openstructure

Aug 27, 2024
- fix FTP link to be deprecated in November 2024 · b0c51026
  Xavier Robin authored 7 months ago
  
  See announcement from PDB: https://www.wwpdb.org/news/news?year=2023#65562f0ad78e004e766a96c1
  Unverified
  
  b0c51026
Jul 04, 2024
- update Dockerfile · fe7e037c
  Studer Gabriel authored 9 months ago
  
  fe7e037c
Jul 02, 2024
- Update version to 2.8.0 · cab3243d
  Studer Gabriel authored 9 months ago
  
  cab3243d
Feb 06, 2024
- Update version to 2.7.0 · fb045eb9
  Studer Gabriel authored 1 year ago
  
  fb045eb9
Jan 09, 2024
- Update version to 2.6.1 · 94d059aa
  Studer Gabriel authored 1 year ago
  
  94d059aa
Jul 31, 2023
- Update version to 2.6.0 · 95920202
  Studer Gabriel authored 1 year ago
  
  View commits for tag 2.6.0-rc 2.6.0-rc
  
  95920202
Jun 01, 2023
- Update version to 2.5.0 · 0ce7dbdb
  Studer Gabriel authored 1 year ago
  
  View commits for tag 2.5.0-rc 2.5.0-rc
  
  0ce7dbdb
May 25, 2023
- Clarify stereochemistry checks in CASP15 RNA scoring in Docker README · 57d3ca73
  Studer Gabriel authored 1 year ago
  
  57d3ca73
May 24, 2023
- update docker README to refer to new compare-structures action · 1d3c5a04
  Studer Gabriel authored 1 year ago
  
  1d3c5a04
May 23, 2023
- fix: qsscoring.QSscoreError no longer raised · ef01f4ea
  Xavier Robin authored 1 year ago
  
  Unverified
  
  ef01f4ea
- feat: add lDDT · e9974d17
  Xavier Robin authored 1 year ago
  
  Unverified
  
  e9974d17
- fix: commit the right version of the test script · 3b45117a
  Xavier Robin authored 1 year ago
  
  The wrong file was committed in @fa25403e.
  Unverified
  
  3b45117a
May 16, 2023
- refactor: update test script to use modern scorer · fa25403e
  Xavier Robin authored 1 year ago
  
  Verified
  
  fa25403e
- test: SCHWED-5913 add checks for compound lib · 25d75db1
  Xavier Robin authored 1 year ago
  
  Verified
  
  25d75db1
- doc: SCHWED-5913 new OST_COMPOUNDS_CHEMLIB in container READMEs · 637451ed
  Xavier Robin authored 1 year ago
  
  Verified
  
  637451ed
Mar 09, 2023
- add voronota to Dockerfile · 68129053
  Studer Gabriel authored 2 years ago
  
  Enables the full scoring experience with CAD score
  68129053
Mar 07, 2023
- Update version to 2.4.0 · 96153780
  Studer Gabriel authored 2 years ago
  
  View commits for tag 2.4.0-rc 2.4.0-rc
  
  96153780
- update Docker base image: ubuntu:22.04 · 54dae401
  Studer Gabriel authored 2 years ago
  
  54dae401
Jan 16, 2023
- feat: SCHWED-5783 add networkx dependency · 39e528b0
  Xavier Robin authored 2 years ago
  
  Verified
  
  39e528b0
Jan 26, 2022
- Update version to 2.3.1 · f30f08a9
  Studer Gabriel authored 3 years ago
  
  f30f08a9
Jan 25, 2022
- remove unused var in Dockerfile · 726bb4f1
  Studer Gabriel authored 3 years ago
  
  726bb4f1
Dec 02, 2021
- simplify Dockerfile - remove MSMS · 8405d00e
  Studer Gabriel authored 3 years ago
  
  8405d00e
Nov 29, 2021
- Update README.rst · ff9f5b30
  Bienchen authored 3 years ago
  
  ff9f5b30
Nov 22, 2021
- drop dssp from Dockerfile · 6af076e4
  Studer Gabriel authored 3 years ago
  
  6af076e4
Oct 26, 2021
- Update version to 2.3.0 · 04cb8c42
  Studer Gabriel authored 3 years ago
  
  View commits for tag 2.3.0-rc 2.3.0-rc
  
  04cb8c42
Jun 30, 2021

remove GUI support in Dockerfile · 203b0589

Studer Gabriel authored 3 years ago

QT5 may cause hard to interpret import errors on older Linux kernels:
https://bbs.archlinux.org/viewtopic.php?id=232682

203b0589

Jun 17, 2021
- Fix sciCORE GitLab URL in Dockerfile · 61c4ecd8
  B13nch3n authored 3 years ago
  
  61c4ecd8
Nov 18, 2020
- Update container base image from ubuntu:18.04 to ubuntu:20.04 · 49f564e2
  Studer Gabriel authored 4 years ago
  
  49f564e2
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
Nov 08, 2020
- PYTHON_LIBRARIES is not required anymore in Dockerfile · 517c9816
  Studer Gabriel authored 4 years ago
  
  517c9816
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 02, 2020
- Cosmetics · 64503dbe
  Bienchen authored 5 years ago
  
  64503dbe
- Cosmetics · a4edc727
  Bienchen authored 5 years ago
  
  a4edc727
- Mention container registry in documentation/ REAMDE · e4388088
  Bienchen authored 5 years ago
  
  e4388088
Feb 20, 2020
- Update GUI part of docker README.rst · 3d6d8233
  Gerardo Tauriello authored 5 years ago
  
  3d6d8233
- SCHWED-4638: Bump version numbers · 3e165475
  Bienchen authored 5 years ago
  
  3e165475
- SCHWED-4635: Add new compiler flags to container compilation · 172c0fa1
  Bienchen authored 5 years ago
  
  172c0fa1
Jan 10, 2020
- Update version to 1.11.0 · 99855c18
  Gerardo Tauriello authored 5 years ago
  
  99855c18
Dec 16, 2019

avoid duplication of compound library · 19b45180

Studer Gabriel authored 5 years ago

Make install automatically moves the specified into the default share
directory, so the initially build library can go with the whole build dir

19b45180

Dec 09, 2019
- export OPENSTRUCTURE_VERSION variable in docker container · a67af630
  Studer Gabriel authored 5 years ago
  
  a67af630