Bump pymatgen from 2023.9.10 to 2023.9.25

[dependabot[bot]]

Bumps pymatgen from 2023.9.10 to 2023.9.25.

Release notes

Sourced from pymatgen's releases.

v2023.9.25

What's Changed

🐛 Bug Fixes

• Fix MPSOCSet raising ValueError on structure=None by @​janosh in materialsproject/pymatgen#3310
• Fix AttributeError in BSPlotter.get_plot() by @​janosh in materialsproject/pymatgen#3327
• Use ax = fig.add_subplot(projection='3d') to create Axes3D by @​janosh in materialsproject/pymatgen#3330
• Fix breaking change to CoherentInterfaceBuilder.get_interfaces by @​janosh in materialsproject/pymatgen#3337
• Add properties @​property/docstring to IStructure by @​mkhorton in materialsproject/pymatgen#3338
• Always return 0 for Composition.oxi_state_guesses() of diatomic molecules by @​janosh in materialsproject/pymatgen#3332
• Fix: TestMITMPRelaxSet.test_nelect claimed to but wasn't testing disordered structure by @​janosh in materialsproject/pymatgen#3344

🛠 Enhancements

• Allow usage of calculate_ng with a custom ENCUT and PREC values for VASP input sets by @​matthewkuner in materialsproject/pymatgen#3314
• Fix TestPotcar.test_write polluting git repo on failure by @​janosh in materialsproject/pymatgen#3347

📖 Documentation

• Update @​arosen93 to @​Andrew-S-Rosen by @​Andrew-S-Rosen in materialsproject/pymatgen#3311
• Google-style doc strings for class attributes by @​janosh in materialsproject/pymatgen#3320
• More Google-style class attribute doc strings by @​janosh in materialsproject/pymatgen#3323
• Readme notice regarding updated pymatgen publication by @​janosh in materialsproject/pymatgen#3325
• Breaking: rename get_ax3d_fig_plt->get_ax3d_fig and get_ax_fig_plt->get_ax_fig plus no longer return plt by @​janosh in materialsproject/pymatgen#3329

🧹 House-Keeping

• Fix internal SymmOp.from_xyz_string and MagSymmOp.from_xyzt_string deprecation warnings by @​janosh in materialsproject/pymatgen#3315
• Fix ruff A001 violations: Variable is shadowing a Python builtin by @​janosh in materialsproject/pymatgen#3331
• Delete unused or numpy-provided routines from pymatgen.util.num by @​janosh in materialsproject/pymatgen#3333
• fix ruff FBT003: Boolean positional value in function call by @​janosh in materialsproject/pymatgen#3335
• Snake case test method names by @​janosh in materialsproject/pymatgen#3339

🤷‍♂️ Other Changes

• Fix atomic mass for Og by @​mkhorton in materialsproject/pymatgen#3317

Full Changelog: https://github.com/materialsproject/pymatgen/compare/v2023.9.10...v2023.9.25

Changelog

Sourced from pymatgen's changelog.

v2023.9.25

• New basic MPRester implemented that supports the most common use cases without having to install mp-api. mp-api is no longer a dependency of pymatgen.
• Breaking: rename get_ax3d_fig_plt->get_ax3d_fig and get_ax_fig_plt->get_ax_fig plus no longer return plt
• Misc bug fixes.

Commits

• 4bff21d Update docs
• 2923fc4 Update changelog.
• 8ba9138 Update monty.
• 5c16854 Fix TestPotcar.test_write polluting git repo on failure (#3347)
• 7aa84e2 Add test for attribute error.
• 81096cb More tests of PMG's own MPRester.
• 028bbee Ensure get entries return the same thing.
• 6056d34 Add parity test.
• d363731 Fix MPRester tests.
• 8a9f96c Ensure pagination works for all queries.
• Additional commits viewable in compare view

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[dependabot[bot]]

Superseded by #64.