Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Synchronise with Exscientia remote #356

Merged
merged 22 commits into from
Oct 24, 2024
Merged

Synchronise with Exscientia remote #356

merged 22 commits into from
Oct 24, 2024

Conversation

lohedges
Copy link
Contributor

This PR performs the synchronisation with the Exscientia remote prior to the 2024.3.0 release.

  • I confirm that I have merged the latest version of devel into this branch before issuing this pull request (e.g. by running git pull origin devel): [y]
  • I confirm that I have permission to release this code under the GPL3 license: [y]

lohedges and others added 21 commits July 10, 2024 09:51
@lohedges
Backport fix from PR #310. [ci skip]
4194ffa
@lohedges
Merge pull request #311 from OpenBioSim/backport_310
2789809 
Backport fix from PR #310
@lohedges
Backport fixes from PR #313. [ci skip]
9acedaa
@lohedges
Merge pull request #314 from OpenBioSim/backport_313
4a2a7a3 
Backport fixes from #313
@lohedges
Backport fix from PR #319. [ci skip]
15f19a6
@lohedges
Typo. [ci skip]
66bc16c
@lohedges
Merge pull request #321 from OpenBioSim/backport_319
3d50ce0 
Backport fix from #319 into main
@lohedges
Backport fix from PR #323. [ci skip]
9831a3f
@lohedges
Merge pull request #324 from OpenBioSim/backport_323
1d2de1f 
Backport fix from PR #323 into main
@xiki-tempula
Merge remote-tracking branch 'OpenBioSim/main' into feat_sync
51da20a
@xiki-tempula
use the new sire
55a3a09
@lohedges
Remove test that requires next Sire version.
39a880a
@xiki-tempula
Merge remote-tracking branch 'OpenBioSim/main' into feat_sync
567351d
@xiki-tempula
Merge pull request #53 from Exscientia/feat_sync
e64f42d 
Sync with BSS
@msuruzhon
Fixing a box check in GMX (#54)
f28b9b5
@xiki-tempula
Exclude lipids from heavy atom restraint for Gromacs Process (#55)
d370168
@xiki-tempula
Fix the bug where AMBER Process will not use report interval (#56)
44ffd59
@msuruzhon
Fixing vacuum translations in GROMACS (#57)
dc96c2f
@lohedges
Merge remote-tracking branch 'exscientia/devel' into sync_exscientia
38018a7
@lohedges
Guard test against missing OpenFF package.
58dba1c
@lohedges
Remove redundant variable.
e33f499
@lohedges lohedges added the exscientia Related to work with Exscientia label Oct 24, 2024
@lohedges lohedges temporarily deployed to biosimspace-build October 24, 2024 11:10 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build October 24, 2024 11:10 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build October 24, 2024 11:10 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build October 24, 2024 11:10 — with GitHub Actions Inactive
@lohedges lohedges merged commit e84a422 into devel Oct 24, 2024
@lohedges lohedges deleted the sync_exscientia branch October 24, 2024 12:36
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers
No reviews
Assignees
No one assigned
Labels
exscientia Related to work with Exscientia
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.
3 participants
@lohedges @xiki-tempula @msuruzhon