Update mp #41
Merged
Update mp #41
Conversation
This file contains 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
|
It seems that the newest versions of scipy have moved pinv2 used by peakutils somewhere else. Can you fix the scipy version to 1.5.3 and see if the tests can pass? |
|
let me fix it later. |
pedrobcst
reviewed
Nov 28, 2022
| cod = CODQuery(elements=element_list, | ||
| max_num_elements=max_num_elem, | ||
| combination=False, |
There was a problem hiding this comment.
Why the combination was removed from CODQuery? Its by default True, and in this method we are doing it should always be False (messy code, I am sorry). Can you double check this?
There was a problem hiding this comment.
I think I only change the mp part.
But let me check that later.
pedrobcst
reviewed
Nov 28, 2022
tests/test_settings.py
Outdated
| from pymatgen.ext.matproj import MPRestError | ||
| from pymatgen import MPRester | ||
| # from pymatgen.ext.matproj import MPRestError | ||
| # from pymatgen.ext.matproj import MPRester |
There was a problem hiding this comment.
Remove the old packages from comment. Not needed.
pedrobcst
reviewed
Nov 28, 2022
| fields = properties, | ||
| theoretical = False, | ||
| energy_above_hull = ( 0, min_hull)) | ||
| if "pytest" in sys.modules: |
There was a problem hiding this comment.
Please explain why this is necessary
pedrobcst
requested changes
Nov 28, 2022
pedrobcst
approved these changes
Dec 8, 2022
This was referenced Dec 8, 2022
Closed
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
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Outdated suggestions cannot be applied.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.
Please Check