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Bump pymatgen from 2022.9.21 to 2022.10.22 #841

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merged 2 commits into from
Oct 24, 2022

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@dependabot dependabot bot commented on behalf of github Oct 24, 2022

Bumps pymatgen from 2022.9.21 to 2022.10.22.

Release notes

Sourced from pymatgen's releases.

v2022.10.22

  • Allow env settings to override .pmgrc.yaml (@​janosh)
  • Add EntryLike type (@​janosh)
  • Update spglib to 2.0+.
Changelog

Sourced from pymatgen's changelog.

v2022.10.22

  • Allow env settings to override .pmgrc.yaml (@​janosh)
  • Add EntryLike type (@​janosh)
  • Update spglib to 2.0+.
  • @​cnncnnzh Method to plot the atom-resolved phonon band structures.
  • @​jmmshn More Flexible reproduction of VASP's optical code
  • @​Ameyanagi Fix the sorting of the FEFF IO module to create ATOMS input.
  • @​JaGeo Extend the ThermalDisplacementMatrices class to read cif files in P1 format.
  • @​rkingsbury Changes to FEFF I/O to support the use of non-periodic input structures.
  • @​jmmshn Merge Waverder and Wavederf
  • @​jmmshn Set the structure_charge while parsing Potcar
Commits
  • 56b8c96 Update docs
  • 441c4d0 Update changelog.
  • c368dcc Merge pull request #2702 from materialsproject/test-load-settings
  • 345534a isolate test_load_settings() from outer env vars
  • f458a15 add pymatgen/core/tests/test_settings.py
  • aaf50b0 unittest2pytest --write --nobackups pymatgen/symmetry
  • 3b160fc Fix _MPResterLegacy tests in pymatgen/ext/tests/test_matproj.py failing due t...
  • aad30d4 Merge pull request #2698 from materialsproject/env-vars-override-pmgrc
  • 564671f _load_pmg_settings look for .pmgrc.yaml in ~/.config first, then in ~
  • 3e54dc9 _load_pmg_settings() make SETTINGS_FILE read op atomic
  • Additional commits viewable in compare view

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Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2022.9.21 to 2022.10.22.
- [Release notes](https://github.com/materialsproject/pymatgen/releases)
- [Changelog](https://github.com/materialsproject/pymatgen/blob/master/CHANGES.rst)
- [Commits](materialsproject/pymatgen@v2022.9.21...v2022.10.22)

---
updated-dependencies:
- dependency-name: pymatgen
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot bot added the dependencies Pull requests that update a dependency file label Oct 24, 2022
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coveralls commented Oct 24, 2022

Pull Request Test Coverage Report for Build 3311112164

  • 0 of 0 changed or added relevant lines in 0 files are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage increased (+0.006%) to 68.65%

Totals Coverage Status
Change from base Build 3308514621: 0.006%
Covered Lines: 12068
Relevant Lines: 17579

💛 - Coveralls

@niklassiemer niklassiemer merged commit 7abf46c into master Oct 24, 2022
@delete-merged-branch delete-merged-branch bot deleted the dependabot/pip/pymatgen-2022.10.22 branch October 24, 2022 11:32
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