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Bump phonopy from 4.6.0 to 4.7.2 - #753

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Sep 30, 2026
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Bumps phonopy from 4.6.0 to 4.7.2.

Changelog

Sourced from phonopy's changelog.

Sep-27-2026: Version 4.7.2

  • Fix two tests that failed on Windows when acoustic modes at Gamma entered the thermal displacement matrices. The tests now set FMIN. No change in the calculations.

Sep-27-2026: Version 4.7.1

  • exclude_gamma_acoustic (EXCLUDE_GAMMA_ACOUSTIC, --exclude-gamma-acoustic) now also applies to the thermal displacements and the thermal displacement matrices (TDISP, TDISPMAT, Phonopy.run_thermal_displacements and Phonopy.run_thermal_displacement_matrices). It is off by default in v4.x and will be on by default in v5.0. See {ref}migration_v5.
  • Without this option, a GammaAcousticWarning is issued when an acoustic mode at Gamma enters the sums of the thermal displacements. With the default FMIN of 0, such a mode makes the thermal displacements meaningless.

Sep-27-2026: Version 4.7.0

  • Experimental --symmetrize-tetrahedra option of phonopy-vasp-efe and phonopy-anisotropic-qha. It averages the tetrahedron weights of the electronic free energy over the point group. See {ref}migration_v5.
  • Bug fix: the phonon DOS by the tetrahedron method used the wrong grid when a sampling mesh given by a length was rebuilt as a generalized regular grid. The frequencies were placed at q-points they did not belong to. This bug was present since v4.0.0. The DOS is now computed on the grid of the mesh.
  • In the tetrahedron method, when a sampling frequency was exactly equal to the frequency at a vertex of a tetrahedron, the tetrahedron gave zero weight. It now gives the weight that the frequencies close to the vertex frequency give. Results computed by the tetrahedron method may therefore change slightly.
  • Phonopy.symmetrize_force_constants_by_space_group and the averaging of the Born effective charges run faster. phonopy.harmonic.force_constants.set_tensor_symmetry_PJ is deprecated. Use symmetrize_force_constants_by_space_group instead.
  • Removed without a deprecation period: the module phonopy.phonon.tetrahedron_mesh with TetrahedronMesh, get_all_tetrahedra_relative_grid_address and get_tetrahedra_integration_weight of phonopy.phonon.tetrahedron_method, and get_grid_point_from_address_py of phonopy.phonon.grid. get_tetrahedra_frequencies is now in phonopy.phonon.tetrahedron_method, and TetrahedronMethod is written in pure Python.
  • Phonopy requires phonors 0.5.0 or later.
Commits
  • 10bff75 Merge pull request #1018 from phonopy/release
  • 74bb693 Release v4.7.2
  • fc45af7 Merge pull request #1017 from phonopy/freq-min-in-gamma-acoustic-tests
  • 41358d8 Pass freq_min to the DSF and TDISPMAT CIF tests so acoustic modes at Gamma st...
  • 37e54be Merge pull request #1016 from phonopy/release
  • 33850fa Release v4.7.1
  • f224dd6 Merge pull request #1015 from phonopy/exclude-gamma-acoustic-thermal-displace...
  • 7297e1e Remove the second call of _get_disp_matrices in ThermalDisplacementMatrices.run
  • b6631c5 Warn when acoustic modes at Gamma enter the thermal-displacement sums
  • 34f47c5 Add exclude_gamma_acoustic to the thermal displacements and their matrices
  • Additional commits viewable in compare view

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Bumps [phonopy](https://github.com/phonopy/phonopy) from 4.6.0 to 4.7.2.
- [Changelog](https://github.com/phonopy/phonopy/blob/main/doc/changelog.md)
- [Commits](phonopy/phonopy@v4.6.0...v4.7.2)

---
updated-dependencies:
- dependency-name: phonopy
  dependency-version: 4.7.2
  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 Sep 30, 2026
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dependabot Bot requested a review from jan-janssen as a code owner September 30, 2026 21:03
@dependabot dependabot Bot added dependencies Pull requests that update a dependency file python Pull requests that update python code labels Sep 30, 2026
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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 91.77%. Comparing base (ccfc830) to head (86627dc).
⚠️ Report is 3 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #753   +/-   ##
=======================================
  Coverage   91.77%   91.77%           
=======================================
  Files          45       45           
  Lines        2651     2651           
=======================================
  Hits         2433     2433           
  Misses        218      218           

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@github-actions
github-actions Bot merged commit eb4fb9f into main Sep 30, 2026
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@github-actions
github-actions Bot deleted the dependabot/pip/phonopy-4.7.2 branch September 30, 2026 21:19
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