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Bump pymatgen from 2022.0.17 to 2022.3.24#203

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Bump pymatgen from 2022.0.17 to 2022.3.24#203
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dependabot/pip/pymatgen-2022.3.24

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@dependabot dependabot Bot commented on behalf of github Mar 28, 2022

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Bumps pymatgen from 2022.0.17 to 2022.3.24.

Release notes

Sourced from pymatgen's releases.

v2022.3.24

  • Emergency bugfix release to fix circular import (@​janosh)

v2022.3.22

  • Support kwargs for ASE adaptor. (@​arosen93)
  • Fix for cation error in Lobster analysis. (@​JaGeo)
  • Major revampt of Abstract interface for Input classes in IO. (@​rkingsbury)

v2022.3.7

This release was previously intended for v2022.2.25.

Important note: an update to a library that pymatgen depends upon has led to the ~/.pmgrc.yml configuration file being corrupted for many users. If you are affected, you may need to re-generate this file. This issue should now be fixed and not re-occur.

v2022.2.25

[Update: This release did not make it to PyPI due to an error in the release process, see the new v2022.3.7 release instead.]

v2022.2.10

v2022.2.7

No release notes provided.

v2022.2.1

  • Chargemol caller for partial atomic charge analysis (@​arosen93)
  • ASEAtomAdaptor: (1) Updates to magmom support, (2) Oxidation states support, (3) Charges are now passed (@​arosen93)
  • Cleanup of deprecated methods. (@​janosh)
  • Bigfix for gzipped DOSCAR (@​JaGeo)

... (truncated)

Changelog

Sourced from pymatgen's changelog.

v2022.3.24

  • Emergency bugfix release to fix circular import (@​janosh)

v2022.3.22

  • Support kwargs for ASE adaptor. (@​arosen93)
  • Fix for cation error in Lobster analysis. (@​JaGeo)
  • Major revampt of Abstract interface for Input classes in IO. (@​rkingsbury)
  • Orbital-projected band center, band filling, band ceneter, skewness, kurtosis, etc. (@​arosen93)
  • Misc cleanups. (@​janosh)

v2022.3.7

This release was previously intended for v2022.2.25.

Important note: an update to a library that pymatgen depends upon has led to the ~/.pmgrc.yml configuration file being corrupted for many users. If you are affected, you may need to re-generate this file. This issue should now be fixed and not re-occur.

v2022.2.10

v2022.2.7

  • Critical bug fix for pmgrc.yaml being overwritten in MPRester in a non-standard way.
  • Change in config file for Lobster basis. Removed the 2p orbitals for Be as they led to problems in our computations and probably should be optional during the projection. (@​JaGeo)
  • Return None for ISPIN=1 for Vasprun('vasprun.xml').complete_dos.spin_polarization.

v2022.2.1

  • Chargemol caller for partial atomic charge analysis (@​arosen93)
  • ASEAtomAdaptor: (1) Updates to magmom support, (2) Oxidation states support, (3) Charges are now passed (@​arosen93)
  • Cleanup of deprecated methods. (@​janosh)
  • Bigfix for gzipped DOSCAR (@​JaGeo)
  • Updates for QChem Support (@​samblau)

... (truncated)

Commits
  • 1561781 Update docs
  • 75f15a2 Update changelog.
  • f7fc018 Merge pull request #2471 from janosh/fix-circular-import
  • a909a3e Merge pull request #2473 from janosh/dead-code
  • bb7b4c1 restore dead LatticeTestCase.test_get_distance_and_image_strict()
  • e61924b delete pymatgen/vis/tests/test_structure_vtk.py
  • 25929d8 restore half-dead ReactionDiagramTest.test_formula()
  • 9c7b1b0 no internal core imports
  • eefedde use modern unquoted type hints
  • d24702e add another missing SymmOp import
  • Additional commits viewable in compare view

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Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2022.0.17 to 2022.3.24.
- [Release notes](https://github.com/materialsproject/pymatgen/releases)
- [Changelog](https://github.com/materialsproject/pymatgen/blob/master/CHANGES.rst)
- [Commits](materialsproject/pymatgen@v2022.0.17...v2022.3.24)

---
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 Mar 28, 2022
@dependabot @github

dependabot Bot commented on behalf of github Apr 4, 2022

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Superseded by #204.

@dependabot dependabot Bot closed this Apr 4, 2022
@dependabot dependabot Bot deleted the dependabot/pip/pymatgen-2022.3.24 branch April 4, 2022 09:05
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