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

Porting fixes for ACWF v1.0 to the develop branch #679

Merged
merged 1 commit into from
Dec 20, 2023

Conversation

sphuber
Copy link
Collaborator

@sphuber sphuber commented Dec 15, 2023

This is a cherry-pick of acc2a71 which was released with v2.2.0 but was never added to the main branch. As a result, the aiida-common-workflows now fail with aiida-vasp>=3.0 which is necessary for AiiDA v2.0 compatibility. The commit in question added specific handlers for the VaspWorkChain that are missing in aiida-vasp v3.0. This is restored by cherry-picking the commit.

Please check the applicable boxes, thank you:

I, the author consider this PR

  • ready to be reviewed and merged (as soon as tests have passed)
  • work in progress (early feedback welcome)

Interactions with issues / other PRs

type "#" followed by search words to find issues / PRs

fixes:

blocks:

is blocked by:

None of the above but is still related to the following:

Description

A commit that deviates from develop branch to offer support for core v1, in
additions to extentions to the error handlers that was needed for the ACWF study.
These are disabled by default, but can be enabled. Pylint etc. has also been
disabled.

Cherry-pick: acc2a71
Copy link

codecov bot commented Dec 15, 2023

Codecov Report

Attention: 92 lines in your changes are missing coverage. Please review.

Comparison is base (ace503f) 72.89% compared to head (db6dcff) 72.13%.

Files Patch % Lines
aiida_vasp/workchains/vasp.py 12.20% 72 Missing ⚠️
aiida_vasp/parsers/vasp.py 65.52% 10 Missing ⚠️
aiida_vasp/parsers/content_parsers/vasprun.py 16.67% 5 Missing ⚠️
aiida_vasp/parsers/neb.py 73.34% 4 Missing ⚠️
aiida_vasp/utils/default_symbols.py 0.00% 1 Missing ⚠️
Additional details and impacted files
@@             Coverage Diff             @@
##           develop     #679      +/-   ##
===========================================
- Coverage    72.89%   72.13%   -0.75%     
===========================================
  Files           58       58              
  Lines         7206     7329     +123     
===========================================
+ Hits          5252     5286      +34     
- Misses        1954     2043      +89     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

Copy link
Member

@zhubonan zhubonan left a comment

Choose a reason for hiding this comment

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

Thanks a lot, looks fine to me. 🚀

@atztogo atztogo merged commit e0da77f into develop Dec 20, 2023
9 of 10 checks passed
@atztogo
Copy link
Collaborator

atztogo commented Dec 20, 2023

Thanks @sphuber!

@sphuber sphuber deleted the fix/acwf-handlers branch December 20, 2023 07:03
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

3 participants