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Bump phonopy from 4.3.1 to 4.4.0#719

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dependabot/pip/phonopy-4.4.0
Jul 18, 2026
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Bump phonopy from 4.3.1 to 4.4.0#719
github-actions[bot] merged 3 commits into
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dependabot/pip/phonopy-4.4.0

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@dependabot dependabot Bot commented on behalf of github Jul 17, 2026

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Bumps phonopy from 4.3.1 to 4.4.0.

Changelog

Sourced from phonopy's changelog.

Jul-17-2026: Version 4.4.0

  • Added the exciting code interface and its documentation.
  • The VASP interface reads vaspout.h5 for forces, MLP datasets, and NAC parameters, and selects energy(sigma->0) according to the VASP version.
  • The LAMMPS interface sorts atoms by atom id and preserves the input atom type label order in supercell output.
  • Speed up of thermal properties (vectorized pure-Python path) and of the electronic free energy calculation (scipy root-finding and vectorized entropy).
  • Bug fix: the dynamical structure factor now propagates the frequency conversion factor.
  • Bug fix: random_displacements is preserved after temperature-based displacement generation.
Commits
  • 2df40f4 Release v4.4.0
  • b289d23 Merge pull request #914 from phonopy/pypolymlp-develop-api
  • 292693f Unify pypolymlp training entry points into develop_pypolymlp
  • 222ddb5 Merge pull request #913 from phonopy/vaspout-mlp-dataset
  • 6b7ff4d Document vaspout.h5 in phonopy-vasp-mlp-dataset and gzip its dataset
  • 5d89644 Merge pull request #912 from phonopy/site-mixture-constituent-order
  • 70815d9 Canonicalize site-mixture constituents by first appearance
  • edfb0bc Merge pull request #911 from phonopy/strain-cells-hdf5
  • 3455825 Add strain-cells HDF5 output and correct displacement distance docs
  • 36205b1 Merge pull request #910 from sapunyangkut/codex/issue-901-dsf-frequency-factor
  • Additional commits viewable in compare view

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Bumps [phonopy](https://github.com/phonopy/phonopy) from 4.3.1 to 4.4.0.
- [Changelog](https://github.com/phonopy/phonopy/blob/main/doc/changelog.md)
- [Commits](phonopy/phonopy@v4.3.1...v4.4.0)

---
updated-dependencies:
- dependency-name: phonopy
  dependency-version: 4.4.0
  dependency-type: direct:development
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot Bot added dependencies Pull requests that update a dependency file python Pull requests that update python code labels Jul 17, 2026
@dependabot
dependabot Bot requested a review from jan-janssen as a code owner July 17, 2026 21:03
@dependabot dependabot Bot added the python Pull requests that update python code label Jul 17, 2026
@codecov

codecov Bot commented Jul 18, 2026

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Codecov Report

❌ Patch coverage is 50.00000% with 1 line in your changes missing coverage. Please review.
✅ Project coverage is 91.39%. Comparing base (bfe280c) to head (21f49f6).
⚠️ Report is 1 commits behind head on main.

Files with missing lines Patch % Lines
src/atomistics/workflows/phonons/helper.py 50.00% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #719      +/-   ##
==========================================
- Coverage   91.80%   91.39%   -0.41%     
==========================================
  Files          45       45              
  Lines        2649     2651       +2     
==========================================
- Hits         2432     2423       -9     
- Misses        217      228      +11     

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@github-actions
github-actions Bot merged commit 9922890 into main Jul 18, 2026
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@github-actions
github-actions Bot deleted the dependabot/pip/phonopy-4.4.0 branch July 18, 2026 06:25
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