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Update pymatgen requirement from <=2022.9.8,>=2022.1.9 to >=2022.1.9,<2022.10.23 #305

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@dependabot dependabot bot commented on behalf of github Oct 31, 2022

Updates the requirements on pymatgen to permit the latest version.

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

v2022.9.21

v2022.9.8

  • @​janosh Add AirssProvider.as_dict
  • @​gpetretto Outcar parsing optimization.
  • @​ScottNotFound Adds res file io to handle results from airss searches
  • @​janosh Fixes the AttributeError currently raised when passing disordered structures to methods like get_cn() and get_bonded_structure() of CrystalNN and other NearNeighbors subclasses.
  • @​naik-aakash Added new option standard_with_comp_range for generating lobsterin files using vasp

v2022.8.23

  • Structure Graphs from Lobster Data (@​JaGeo)
  • Added 'get_orbit_and_generators'-method to SpaceGroup class (@​nheinsdorf)
  • Class to handle Thermal displacements matrices (@​JaGeo)
  • Change default number of significant digits to write VASP POSCAR (@​henriquemiranda)
  • Misc bug fixes.

v2022.7.25

  • Implemented sufficient methods for new MPRester to cover about 70-80% of common use cases.

v2022.7.24.1

  • Implementation changed to allow seamless use of MPRester regardless of whether new or old API key is used.

v2022.7.24

  • Initial implementation of MPRester2 with new API support. Basic functionality for now.

v2022.7.19

This will be the final release with the pymatgen.analysis.defects

... (truncated)

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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Updates the requirements on [pymatgen](https://github.com/materialsproject/pymatgen) to permit the latest version.
- [Release notes](https://github.com/materialsproject/pymatgen/releases)
- [Changelog](https://github.com/materialsproject/pymatgen/blob/master/CHANGES.rst)
- [Commits](materialsproject/pymatgen@v2022.01.09...v2022.10.22)

---
updated-dependencies:
- dependency-name: pymatgen
  dependency-type: direct:production
...

Signed-off-by: dependabot[bot] <[email protected]>
@dependabot dependabot bot added the dependencies Pull requests that update a dependency file label Oct 31, 2022
@jacksund jacksund merged commit 4ea12d2 into main Oct 31, 2022
@jacksund jacksund deleted the dependabot/pip/pymatgen-gte-2022.1.9-and-lt-2022.10.23 branch October 31, 2022 17:01
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