Fix tensor mapping #2720
Merged
Fix tensor mapping #2720
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@utf Apologies for the breaking change! Thanks for the fix and the new tests. Will try to make a new release right now (first time for me). Here goes nothing... |
Merged
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@utf Took some trial and error to weed out issues from the CI workflow rewrite. The new release is live now https://pypi.org/project/pymatgen/2022.11.7. Hope that unblocks atomate1/2 and amset. |
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Thanks very much @janosh! |
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A recent change (1bdd1b7) broke tensor mapping by making the default tensor and value lists immutable tuples. Tests didn't catch this because there was no tests for creating a tensor mapping starting from an empty mapping.
This PR fixes the bug and adds a new test. If possible, please could you release a new version with this bug fix as currently atomate, atomate2, amset, and other packages are broken.