Commits · master · HPC - JGU - Life Sciences / workflows

06 Jan, 2022 24 commits
- Merge branch 'devel' into 'master' · 9e29639a
  Christian Meesters authored Jan 06, 2022
```
0.4.8

Closes #86

See merge request !14
```
  9e29639a
- gnarf · 557bf88e
  Christian Meesters authored Jan 06, 2022
  
  557bf88e
- new version 0.4.8 · f7860641
  Christian Meesters authored Jan 06, 2022
  
  f7860641
- CHANGELOG.txt · 935ca6a7
  Christian Meesters authored Jan 06, 2022
  
  935ca6a7
- temporarily outcommented the runner for ProtTrans · 6f76ab4f
  Christian Meesters authored Jan 06, 2022
  
  6f76ab4f
- added biopython import to runner · 28f9034e
  Christian Meesters authored Jan 06, 2022
  
  28f9034e
- mflow/scripts/zipf_test.py - final pepification of the day · 7c47b888
  Christian Meesters authored Jan 06, 2022
  
  7c47b888
- saved old versions for comparison · b977282f
  Christian Meesters authored Jan 06, 2022
  
  b977282f
- mflow/scripts/wordcount.py - peppified as well · 46477b7f
  Christian Meesters authored Jan 06, 2022
  
  46477b7f
- docking.smk - changed mpirun to srun · 76023cc6
  Christian Meesters authored Jan 06, 2022
  
  76023cc6
- moved some files away from mflow/scripts - need cleanup #97 · 9efb4d2e
  Christian Meesters authored Jan 06, 2022
  
  9efb4d2e
- lib/workflows.py - now pep8 compliant · c8c6fc1d
  Christian Meesters authored Jan 06, 2022
  
  c8c6fc1d
- lib/cluster.py - deleted empty lines · fed126fa
  Christian Meesters authored Jan 06, 2022
  
  fed126fa
- lib/config_utils.py now pep8 compliant · 6d244f85
  Christian Meesters authored Jan 06, 2022
  
  6d244f85
- lib/account.py now pep8 compliant · 0ac4c481
  Christian Meesters authored Jan 06, 2022
  
  0ac4c481
- greeter and reporter lib now pep8 compliant · 4f3d3e33
  Christian Meesters authored Jan 06, 2022
  
  4f3d3e33
- mflow.eb - now with pylint 2.12.2 · fe5c01dd
  Christian Meesters authored Jan 06, 2022
  
  fe5c01dd
- mflow/lib/cluster.py - fixed C207 issue · dadefc1b
  Christian Meesters authored Jan 06, 2022
  
  dadefc1b
- mflow/lib/workflows.py - trying remedy for C209 · 1754948b
  Christian Meesters authored Jan 06, 2022
  
  1754948b
- setup.py - gnarf did not reflect last version in commit · 3963633c
  Christian Meesters authored Jan 06, 2022
  
  3963633c
- profiles/mogonII.conf - added covid19 partition again · e72b5ca1
  Christian Meesters authored Jan 06, 2022
  
  e72b5ca1
- Merge branch 'devel' of gitlab.rlp.net:hpc-jgu-lifescience/workflows into devel · 80e274c6
  Christian Meesters authored Jan 06, 2022
  
  80e274c6
- configs/StructureBasedScreening.yaml - some more annotations; changed vinalc module to gompi · 8a80d222
  Christian Meesters authored Jan 06, 2022
  
  8a80d222
- lib py files blacked · 00dda721
  Christian Meesters authored Jan 06, 2022
  
  00dda721
05 Jan, 2022 2 commits
- updated Vina module to bio/VinaLC/1.3.0-gompi-2021b · 141d1aaf
  Max Riedl authored Jan 05, 2022
  
  141d1aaf
- fixed error · b2a8a353
  Max Riedl authored Jan 05, 2022
  
  b2a8a353
04 Jan, 2022 4 commits
- lib/cluster.py - pep8 conformant · 4e9caa10
  Christian Meesters authored Jan 04, 2022
  
  4e9caa10
- lib/workflows lib/config_utils.py - to pep8 · bc7dc399
  Christian Meesters authored Jan 04, 2022
  
  bc7dc399
- profiles/mogonII.conf - reduced partition list for docking job temporarily, due to an MPI error · 8f4e6568
  Christian Meesters authored Jan 04, 2022
  
  8f4e6568
- mflow.py - added user 'shellman' to devel-group · 103e147e
  Christian Meesters authored Jan 04, 2022
  
  103e147e
29 Dec, 2021 2 commits
- pep-8 · f2aed630
  Max Riedl authored Dec 29, 2021
  
  f2aed630
- added space · f01068e8
  Riedl authored Dec 29, 2021
  
  f01068e8
23 Dec, 2021 1 commit
- fixed list concat in generateOutput · 48291e15
  Max Riedl authored Dec 23, 2021
  
  48291e15
14 Dec, 2021 1 commit
- updated irods · 78eaf584
  Max Riedl authored Dec 14, 2021
  
  78eaf584
09 Dec, 2021 1 commit
- added encoding · 9e8b22f6
  Max Riedl authored Dec 09, 2021
  
  9e8b22f6
03 Dec, 2021 1 commit
- pep · 679f8f9a
  Max Riedl authored Dec 03, 2021
  
  679f8f9a
01 Dec, 2021 1 commit
- new VINALC module tested and default in config · a9be1466
  Max Riedl authored Dec 01, 2021
  
  a9be1466
29 Nov, 2021 1 commit
- Merge branch 'devel' of gitlab.rlp.net:hpc-jgu-lifescience/workflows into devel · c0695747
  Max Riedl authored Nov 29, 2021
  
  c0695747
25 Nov, 2021 2 commits
- trying to fix runner · f8f1daa4
  Christian Meesters authored Nov 25, 2021
  
  f8f1daa4
- scripts/concatPDBQT.py - PEP8 compliant · 210f5202
  Christian Meesters authored Nov 25, 2021
  
  210f5202