Commits · master · pyretis / pyretis

22 Jun, 2022 3 commits
- Merge branch 'fix-test-22jun' into 'master' · 512bf6c9
  sroet authored Jun 22, 2022
```
fix failing test

See merge request !357
```
  512bf6c9
- empty commit to trigger pipeline · 39adfda0
  Thuat Trinh authored Jun 22, 2022
  
  39adfda0
- fix failing test · 3e283578
  Thuat Trinh authored Jun 22, 2022
  
  3e283578
04 Jan, 2022 2 commits
- Merge branch 'update_copyright_master' into 'master' · eb43f945
  sroet authored Jan 04, 2022
```
update copyright master to 2022

See merge request !351
```
  eb43f945
- update copyright master to 2022 · a68e022e
  sroet authored Jan 04, 2022
  
  a68e022e
02 Nov, 2021 4 commits
- Merge branch 'catch_another_nan' into 'master' · 03e59e02
  sroet authored Nov 02, 2021
```
also catch 0 weights in the total

See merge request !343
```
  03e59e02
- also catch 0 weights in the total · c6c6d9e0
  sroet authored Nov 02, 2021
  
  c6c6d9e0
- Merge branch 'account_for_weights_error' into 'master' · 252594a3
  sroet authored Nov 02, 2021
```
Account for weights in block error

See merge request !341
```
  252594a3
- Account for weights in block error · 3cdcd348
  sroet authored Nov 02, 2021
  
  3cdcd348
27 Oct, 2021 3 commits
- Merge branch 'silence_np_dep_warn' into 'master' · 8656cdb0
  sroet authored Oct 27, 2021
```
solve some more surfaced numpy deprecation warnings

See merge request !340
```
  8656cdb0
- Merge branch 'drop_distutils' into 'master' · d4378173
  sroet authored Oct 27, 2021
```
Drop distutils

See merge request !334
```
  d4378173
- Drop distutils · 2e941eba
  sroet authored Oct 27, 2021
  
  2e941eba
25 Oct, 2021 1 commit
- solve some more surface numpy deprecation warnings · f4a9b71a
  sroet authored Oct 25, 2021
  
  f4a9b71a
20 Oct, 2021 2 commits
- Merge branch 'restore_openmm_logo' into 'master' · 583ac521
  sroet authored Oct 20, 2021
```
update new link for openmm logo

See merge request !336
```
  583ac521
- update new link for openmm logo · 4344f06e
  sroet authored Oct 20, 2021
  
  4344f06e
19 Oct, 2021 1 commit
- Merge branch 'disable_py310_for_now' into 'master' · 178ce173
  sroet authored Oct 19, 2021
```
drop python310 testing for now

See merge request !338
```
  178ce173
15 Oct, 2021 1 commit
- drop python310 for now · 1819ca15
  sroet authored Oct 15, 2021
  
  1819ca15
23 Sep, 2021 2 commits
- Merge branch 'fix_pylint' into 'master' · 22d46ddd
  sroet authored Sep 23, 2021
```
fix pylint issues

See merge request !332
```
  22d46ddd
- fix pylint issues · ebdb11d5
  sroet authored Sep 23, 2021
  
  ebdb11d5
31 Aug, 2021 2 commits
- Merge branch 'adapt_for_openmm_76' into 'master' · be01bc90
  sroet authored Aug 31, 2021
```
Deal with openmm>=7.6

See merge request !330
```
  be01bc90
- Deal with openmm>=7.6 · 61978a08
  sroet authored Aug 31, 2021
  
  61978a08
07 Apr, 2021 1 commit
- Merge branch 'fix_ci_master' into 'master' · 63250b46
  sroet authored Apr 07, 2021
```
exclude docutils version line

See merge request !329
```
  63250b46
06 Apr, 2021 1 commit
- exclude docutils version line · c9577182
  sroet authored Apr 06, 2021
  
  c9577182
24 Feb, 2021 2 commits
- Merge branch 'fix_ci' into HEAD · 994ae940
  sroet authored Feb 24, 2021
  
  994ae940
- step around pylint issue · 4b55169f
  sroet authored Feb 24, 2021
  
  4b55169f
01 Feb, 2021 2 commits
- Merge branch 'fix_ci_master' into 'master' · 7a798480
  sroet authored Feb 01, 2021
```
fix mdtraj install old_py

See merge request !323
```
  7a798480
- Revert "force old_py to go first for debugging" · 064848df
  sroet authored Feb 01, 2021
```
This reverts commit bb86f7ae.
```
  064848df
08 Jan, 2021 2 commits
- Merge branch 'try_fixing_ci' into 'master' · 8a52c033
  sroet authored Jan 08, 2021
```
fix CI

See merge request !322
```
  8a52c033
- fix CI · d717c3d2
  sroet authored Jan 08, 2021
  
  d717c3d2
06 Jan, 2021 3 commits
- Merge branch 'cherry-pick-f4338bf8' into 'master' · a209a364
  Enrico authored Jan 06, 2021
```
ref up

See merge request !319
```
  a209a364
- Merge branch 'update_copyright' into 'master' · e76b24c2
  sroet authored Jan 06, 2021
```
update copyright

See merge request !320
```
  e76b24c2
- update copyright · 3fbccee2
  sroet authored Jan 06, 2021
  
  3fbccee2
01 Jan, 2021 1 commit
- ref up · 0f2edf1d
  Enrico authored Dec 31, 2020 and Enrico committed Jan 01, 2021
```
(cherry picked from commit f4338bf8)
```
  0f2edf1d
31 Dec, 2020 2 commits
- Merge branch 'update_min_numpy' into 'master' · 20a67d4b
  sroet authored Dec 31, 2020
```
bump min numpy to 1.16

See merge request !317
```
  20a67d4b
- bump min numpy to 1.16 · 58e5f8f6
  sroet authored Dec 31, 2020
  
  58e5f8f6
20 Dec, 2020 1 commit

Merge branch 'prevent_pebkac_error' into 'master' · 55bc89e9

Anders Lervik authored Dec 20, 2020

alter 'pip install' to 'python -m pip install' to prevent user errors

Closes #164

See merge request !312

55bc89e9

18 Dec, 2020 1 commit
- alter 'pip install' to 'python -m pip install' to prevent user errorws · dee45b68
  sroet authored Dec 18, 2020
  
  dee45b68
11 Dec, 2020 2 commits
- Merge branch 'cherry_pick_301' into 'master' · 0b96560a
  Anders Lervik authored Dec 11, 2020
```
revert python 3.7 pin for openmm test

See merge request !308
```
  0b96560a
- revert python 3.7 pin for openmm test · 33039b9d
  sroet authored Dec 08, 2020
  
  33039b9d
10 Dec, 2020 1 commit
- Merge branch 'update_langevin_text' into 'master' · 979ffcff
  Anders Lervik authored Dec 10, 2020
```
[DOCFIX] Updated description for Langevin.

Closes #151

See merge request !304
```
  979ffcff