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@dependabot dependabot bot commented on behalf of github Apr 4, 2022

Bumps pymatgen from 2022.0.17 to 2022.3.29.

Release notes

Sourced from pymatgen's releases.

v2022.3.29

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

... (truncated)

Changelog

Sourced from pymatgen's changelog.

v2022.3.29

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

... (truncated)

Commits
  • 02ac6df Change annotation back to older style
  • 5f5c537 Update changelog for v2022.3.29
  • ed7f4c4 Set version to v2022.3.29
  • 423cdab Merge pull request #2477 from materialsproject/mkhorton-patch-1
  • 38be5b6 Remove from __future__ import annotations due to bug
  • 8650675 Merge pull request #2475 from nwinner/cp2k-1.0
  • ff66690 Future annotations and YAML
  • dec4549 [pre-commit.ci] auto fixes from pre-commit.com hooks
  • d5671d9 Delete
  • 80160c6 Checkout CP2K development into cp2k-1.0
  • Additional commits viewable in compare view

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Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2022.0.17 to 2022.3.29.
- [Release notes](https://github.com/materialsproject/pymatgen/releases)
- [Changelog](https://github.com/materialsproject/pymatgen/blob/master/CHANGES.rst)
- [Commits](materialsproject/pymatgen@v2022.0.17...v2022.3.29)

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

Signed-off-by: dependabot[bot] <[email protected]>
@dependabot dependabot bot added the dependencies Pull requests that update a dependency file label Apr 4, 2022
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dependabot bot commented on behalf of github Apr 25, 2022

Superseded by #208.

@dependabot dependabot bot closed this Apr 25, 2022
@dependabot dependabot bot deleted the dependabot/pip/pymatgen-2022.3.29 branch April 25, 2022 09:07
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