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Bump pymatgen from 2024.6.10 to 2024.7.18#928

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Bump pymatgen from 2024.6.10 to 2024.7.18#928
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dependabot/pip/pymatgen-2024.7.18

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@dependabot dependabot bot commented on behalf of github Jul 22, 2024

Bumps pymatgen from 2024.6.10 to 2024.7.18.

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v2024.7.18

layout: default title: Change Log

Changelog

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v2024.7.18

  • Fix setuptools for packaging (#3934)
  • Improve Keep Redundant Spaces algorithm for PatchedPhaseDiagram (#3900)
  • Add electronic structure methods for Species (#3902)
  • Migrate spglib to new SpglibDataset format with version 2.5.0 (#3923)
  • SpaceGroup changes (#3859)
  • Add MD input set to FHI-aims (#3896)
Commits
  • 27d90b7 Update docs
  • 380d2f2 [Hot Fix] Fix setuptools for pymatgen packaging (#3934)
  • 0234182 Improve Keep Redundant Spaces algorithm for PatchedPhaseDiagram (#3900)
  • 454aa5e Add electronic structure methods for Species (#3902)
  • 58e8a35 Migrate spglib to new SpglibDataset format with version 2.5.0 (#3923)
  • 106e8f5 Fix analyzer tests.
  • e9e6e34 Set mac test to 3.10.
  • f3cd079 Use >3,9
  • a1e774b Use 3.x designation in python version to test latest version on ubuntu
  • d0ed5d7 Use newer pytjon for linting.
  • Additional commits viewable in compare view

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@dependabot dependabot bot added the dependencies Pull requests that update a dependency file label Jul 22, 2024
@dependabot dependabot bot force-pushed the dependabot/pip/pymatgen-2024.7.18 branch from 78a91a8 to 7afb574 Compare July 22, 2024 07:46
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utf commented Jul 22, 2024

@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.

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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.

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dependabot bot commented on behalf of github Aug 12, 2024

Superseded by #953.

@dependabot dependabot bot closed this Aug 12, 2024
@dependabot dependabot bot deleted the dependabot/pip/pymatgen-2024.7.18 branch August 12, 2024 07:19
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