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Bump pymatgen from 2022.1.9 to 2022.1.20 #291

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@dependabot dependabot bot commented on behalf of github Jan 21, 2022

Bumps pymatgen from 2022.1.9 to 2022.1.20.

Release notes

Sourced from pymatgen's releases.

v2022.1.20

  • Unicode fixes (@​janosh)
  • YAML deprecation fixes. (@​janosh)
  • ASE adaptor support for charge, spin multiiciplity and site properties of molecules. (@​arosen93).
  • New keyword option (keep_site_properties) in various structure.symmetry.analyzer functions to keep the site properties on the sites after a transformation. (@​arosen93)
  • Bug fixes for Lobster module (@​JaGeo).
  • SCAN / GGA(+U) mixing scheme (@​rkingsbury). Mixing scheme code lives in the new file mixing_scheme.py and is implemented as a Compatibility class.
  • Fix for parsing of QuantumExpresso files due to new format (@​vorwerkc)
Changelog

Sourced from pymatgen's changelog.

v2022.1.20

  • Unicode fixes (@​janosh)
  • YAML deprecation fixes. (@​janosh)
  • ASE adaptor support for charge, spin multiiciplity and site properties of molecules. (@​arosen93).
  • New keyword option (keep_site_properties) in various structure.symmetry.analyzer functions to keep the site properties on the sites after a transformation. (@​arosen93)
  • Bug fixes for Lobster module (@​JaGeo).
  • SCAN / GGA(+U) mixing scheme (@​rkingsbury). Mixing scheme code lives in the new file mixing_scheme.py and is implemented as a Compatibility class.
  • Fix for parsing of QuantumExpresso files due to new format (@​vorwerkc)
Commits
  • 9cc63ca Update docs
  • 6ba7893 Update changelog.
  • d5370df Merge pull request #2365 from janosh/fix_get_potcar_symbols
  • e181a7f ensure POTCAR data has utf-8 encoding
  • fd553a8 Merge branch 'master' of github.com:materialsproject/pymatgen
  • 55b15a3 Merge pull request #2360 from janosh/fix-yaml-safeload-depr
  • e6c1934 Fix stringio.
  • 47d26bf add flake8 per-file-ignores = init.py: F401 and drop those pesky #noqa
  • 2b654ec Update monty.
  • d7cfd8a Yaml deprecation fixes.
  • Additional commits viewable in compare view

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Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2022.1.9 to 2022.1.20.
- [Release notes](https://github.com/materialsproject/pymatgen/releases)
- [Changelog](https://github.com/materialsproject/pymatgen/blob/master/CHANGES.rst)
- [Commits](materialsproject/pymatgen@v2022.01.09...v2022.1.20)

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

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot bot added the dependencies Pull requests that update a dependency file label Jan 21, 2022
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Pull Request Test Coverage Report for Build 1728818276

  • 0 of 0 changed or added relevant lines in 0 files are covered.
  • 6 unchanged lines in 1 file lost coverage.
  • Overall coverage decreased (-0.3%) to 80.059%

Files with Coverage Reduction New Missed Lines %
pymatgen/analysis/diffusion/aimd/clustering.py 6 83.7%
Totals Coverage Status
Change from base Build 1702698411: -0.3%
Covered Lines: 1634
Relevant Lines: 2041

💛 - Coveralls

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dependabot bot commented on behalf of github Jan 25, 2022

Superseded by #292.

@dependabot dependabot bot closed this Jan 25, 2022
@dependabot dependabot bot deleted the dependabot/pip/pymatgen-2022.1.20 branch January 25, 2022 13:10
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