Fix UTs destroyed by pymatgen's update #1471
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## devel #1471 +/- ##
==========================================
+ Coverage 49.42% 49.51% +0.09%
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Files 83 83
Lines 14817 14820 +3
==========================================
+ Hits 7323 7338 +15
+ Misses 7494 7482 -12 ☔ View full report in Codecov by Sentry. |
Yi-FanLi
changed the title
njzjz
approved these changes
Feb 29, 2024
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There are 2 changes in pymatgen which destroy the previous unittests:
Improve CIF checking, support for isotopes, and correct handling of new VASP 6.4.2 POSCAR format incl. slashes in header materialsproject/pymatgen#3542
Previously we set the type of DummySpecies to "Type", which is forbidden by pymatgen through this PR. Here we replace "Type" with "X".
Remove deprecated
(to|from|as|get)_stringmethods materialsproject/pymatgen#3561The functions from_string and get_string have been replaced with from_str and get_str. We should keep up to date with these changes.