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.

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

Do not use deprecated OpenFF Toolkit iterator #541

Merged
merged 4 commits into from
Jul 10, 2023

Conversation

mattwthompson
Copy link
Member

PR Summary:

Topology.topology_atoms was deprecated in 0.11.0 and will be removed in the forthcoming 0.14.0 release.

PR Checklist


  • Includes appropriate unit test(s)
  • Appropriate docstring(s) are added/updated
  • Code is (approximately) PEP8 compliant
  • Issue(s) raised/addressed?

@mattwthompson mattwthompson marked this pull request as ready for review June 29, 2023 21:02
@codecov
Copy link

codecov bot commented Jun 29, 2023

Codecov Report

Merging #541 (03ef4cb) into main (e102f79) will not change coverage.
The diff coverage is 0.00%.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #541   +/-   ##
=======================================
  Coverage   69.21%   69.21%           
=======================================
  Files          16       16           
  Lines        1673     1673           
=======================================
  Hits         1158     1158           
  Misses        515      515           

Copy link
Member

@daico007 daico007 left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

LGTM!

@daico007
Copy link
Member

daico007 commented Jul 7, 2023

Failing test is due to the new pydantic release which impact gmso (mosdef-hub/gmso#742). I have made a new gmso built on its feedstock with pydantic pinned. Rerunning failed tests now and hopefully they will grab the correct build.

@daico007 daico007 merged commit 184e3e3 into mosdef-hub:main Jul 10, 2023
14 of 16 checks passed
@mattwthompson
Copy link
Member Author

Thanks @daico007!

@mattwthompson mattwthompson deleted the toolkit-api branch July 10, 2023 04:23
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

None yet

2 participants