Fix various CI issues

hackingmaterials / atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

https://hackingmaterials.github.io/atomate

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Closed jmmshn closed 2 years ago

jmmshn commented 2 years ago

updated and shuffled some dependencies.
_verify_files required the POSCAR file to be rewritten.
Removed defect_transformations
Fixed insertion workflow and test originally discussed here https://github.com/materialsproject/pymatgen/pull/2582#issuecomment-1197491606

Zhuoying commented 2 years ago

@jmmshn Thanks so much for fixing all the test errors shown in CI. Get it merged now.