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Bump phonopy from 2.26.6 to 2.33.3 #1632

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Dec 24, 2024
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@dependabot dependabot bot commented on behalf of github Dec 18, 2024

Bumps phonopy from 2.26.6 to 2.33.3.

Changelog

Sourced from phonopy's changelog.

Dec-18-2024: Version 2.33.3

  • Fix for Windows build: dtype="int_" was replaced by dtype="long".
  • Drop symfc dependency because symfc seems not working on Windows.

Dec-13-2024: Version 2.33.2

  • Update symfc version dependency

Dec-13-2024: Version 2.33.1

  • Add another dataset for the crystallographic point group -6m2.
  • Bug fix for reading forces with -f CLI option.

Dec-12-2024: Version 2.33.0

  • The default choice for storing atomic pair vectors in the Primitive class has been updated. Previously, the API had store_dense_svecs=False as the default, but now it is store_dense_svecs=True.

Dec-5-2024: Version 2.32.0

  • Maintenance release including refactoring of SSCHA interface

Nov-30-2024: Version 2.31.2

  • INCLUDE_BORN tag and --include-born option were removed. NAC params are always included in phonopy.yaml when they are available.

Nov-28-2024: Version 2.31.1

  • Experimental implementation of SSCHA using pypolymlp and symfc.

Nov-13-2024: Version 2.31.0

  • Maintenance release along with refactoring of MLP interface.

Nov-13-2024: Version 2.30.1

  • Release for attempting conda-forge packaging except for a few very minor change.

Nov-9-2024: Version 2.30.0

  • The symfc package (https://github.com/symfc/symfc) was made a necessary package from this version.
  • Default force constants calculator for phonopy-load command was changed to symfc. The previous behaviour is recovered by phonopy-load --fc-calculator traditional.

... (truncated)

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@dependabot dependabot bot added dependencies Pull requests that update a dependency file minor add functionality in a backward compatible manner labels Dec 18, 2024
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coveralls commented Dec 18, 2024

Pull Request Test Coverage Report for Build 12464521496

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

Details

  • 0 of 0 changed or added relevant lines in 0 files are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage remained the same at 70.904%

Totals Coverage Status
Change from base Build 12464502715: 0.0%
Covered Lines: 10693
Relevant Lines: 15081

💛 - Coveralls

@jan-janssen jan-janssen marked this pull request as draft December 18, 2024 15:49
@dependabot dependabot bot force-pushed the dependabot/pip/phonopy-2.33.3 branch from 5007f7e to b566eea Compare December 18, 2024 15:50
Bumps [phonopy](https://github.com/phonopy/phonopy) from 2.26.6 to 2.33.3.
- [Changelog](https://github.com/phonopy/phonopy/blob/develop/doc/changelog.md)
- [Commits](phonopy/phonopy@v2.26.6...v2.33.3)

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

Signed-off-by: dependabot[bot] <[email protected]>
@dependabot dependabot bot force-pushed the dependabot/pip/phonopy-2.33.3 branch from 94b0561 to 856822e Compare December 23, 2024 09:28
@jan-janssen jan-janssen marked this pull request as ready for review December 24, 2024 08:53
@jan-janssen jan-janssen merged commit 10d90d4 into main Dec 24, 2024
24 checks passed
@jan-janssen jan-janssen deleted the dependabot/pip/phonopy-2.33.3 branch December 24, 2024 08:57
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