atomate2
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materialsproject
Bump pymatgen from 2024.6.10 to 2024.7.18
Bumps pymatgen from 2024.6.10 to 2024.7.18.
Commits
27d90b7Update docs380d2f2[Hot Fix] Fixsetuptoolsfor pymatgen packaging (#3934)0234182Improve Keep Redundant Spaces algorithm for PatchedPhaseDiagram (#3900)454aa5eAdd electronic structure methods for Species (#3902)58e8a35Migratespglibto newSpglibDatasetformat with version 2.5.0 (#3923)106e8f5Fix analyzer tests.e9e6e34Set mac test to 3.10.f3cd079Use >3,9a1e774bUse 3.x designation in python version to test latest version on ubuntud0ed5d7Use newer pytjon for linting.- Additional commits viewable in compare view
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@tpurcell90, the failing tests are related to the FHI-aims code. Can you take a look?
ValueError: No AIMS_SPECIES_DIR variable found in the config file. Please set the variable in ~/.config/.pmgrc.yaml to the root of `species_defaults` folder in FHIaims/ directory.
This is related to removing the local definition of species_dir as an option in pymatgen. I fixed this in a PR for magnetic properties, but it's not yet merged in.
