allow assigned occupancy to be skipped if present #1308
Conversation
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
berquist
requested changes
Nov 28, 2023
Co-authored-by: Eric Berquist <[email protected]>
Co-authored-by: Eric Berquist <[email protected]>
Duplicate word removed
Co-Authored-By: Anselm Hahn <[email protected]>
See astral-sh/ruff#2600. The current state of ruff does not fully transform into the isort black profile, and section orderings don't seem to be obeyed.
updates: - [github.com/PyCQA/isort: 5.13.0 → 5.13.2](PyCQA/isort@5.13.0...5.13.2) - [github.com/astral-sh/ruff-pre-commit: v0.1.7 → v0.1.8](astral-sh/ruff-pre-commit@v0.1.7...v0.1.8)
Yeah i started implementing this, and i think i got confused by #1297 thinking the answer was no in general, but i realize now that was ORCA specific so ill put it back in. |
|
I do realize rebase is messed up and will fix, sorry. |
Co-Authored-By: Anselm Hahn <[email protected]>
updates: - [github.com/astral-sh/ruff-pre-commit: v0.1.8 → v0.1.9](astral-sh/ruff-pre-commit@v0.1.8...v0.1.9)
|
If you have a copy of the branch before the rebase, or just a patch of the changes, I can try applying it. |
Thank you for offering, let me try once more to fix it just because i want to know how to do it right, but if i can't get it the next few days i will ask for your help. |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
6 participants
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
This helps fix a secondary bug discovered while parsing the file provided in #1009.
In the problem file (cclib/cclib-data#177), the parsing failed due to the presence of an ASSIGNED OCCUPANCY block that set the MO occupations. This fix will simply skip this block if it is present allowing the file to be parsed.