Bump pymatgen from 2023.6.23 to 2023.6.28

[dependabot]

Bumps pymatgen from 2023.6.23 to 2023.6.28.

Release notes

Sourced from pymatgen's releases.

v2023.6.28

• Use lru_cache to speed up get_el_sp by 400x (@​v1kko).
• Related to lru_cache of get_el_sp, Species.properties is now deprecated in favor of setting Species(spin=5). The rationale is that spin is the only supported property for Species anyway. Species and DummySpecies is now mostly immutable, i.e., setting specie.spin = 5 have no effect. This is as intended since the first version of pymatgen.

Changelog

Sourced from pymatgen's changelog.

v2023.6.28

• Use lru_cache to speed up get_el_sp by 400x (@​v1kko).
• Related to lru_cache of get_el_sp, Species.properties is now deprecated in favor of setting Species(spin=5). The rationale is that spin is the only supported property for Species anyway. Species and DummySpecies is now mostly immutable, i.e., setting specie.spin = 5 have no effect. This is as intended since the first version of pymatgen.
• PR #3111 from @​xjf729 fix-MoleculeGraph-draw_graph
• PR #3030 from @​lbluque Remove superfluous structure argument docstring from SQSTransformation init
• PR #3031 from @​kavanase Quick fix to allow direct initialisation of the DictSet class.
• PR #3015 from @​lbluque Optimized cython code in find_points_in_spheres, getting ~5x faster runtime.

Commits

• 9f0c7c2 Update docs
• d4c9249 Update changelog.
• 240a590 Fix code regression.
• 33e7873 Fix tests.
• 9c6ba44 Fixes to doc.
• a617039 Fix bad magmom handling in certaion files.
• 9f37f1b Fix repr for DummySpecie without spin.
• 53d2e84 Black.
• 9f2b393 Refactor Species.properties, which is now deprecated in favor of
• 1cf90e1 Merge pull request #3080 from v1kko/get_el_sp_cache
• Additional commits viewable in compare view

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