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Update phonopy requirement from <4,>=2.43.6 to >=2.43.6,<5#1500

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Update phonopy requirement from <4,>=2.43.6 to >=2.43.6,<5#1500
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Updates the requirements on phonopy to permit the latest version.

Changelog

Sourced from phonopy's changelog.

Jun-15-2026: Version 4.2.1

  • Fix a NumPy error in the equation-of-state (EOS) fit used by QHA.

Jun-09-2026: Version 4.2.0

  • run_* methods now return result objects (e.g. run_band_structure returns a BandStructure). The corresponding get_*_dict accessors are deprecated, and the legacy factor argument has been removed.
  • Result objects share a unified plot(ax) signature. Figure-level plotting helpers moved to phonopy.phonon.plot, and the global side effects of the old plot functions were removed.
  • Added NacParams TypedDict; documented result objects and NAC parameters.
  • Added Phonopy.replicate; Phonopy.copy is deprecated.
  • Added a development documentation page describing the architecture principles.

May-25-2026: Version 4.1.0

  • Analytical derivative of the dynamical matrix is now available for Gonze-Lee non-analytical term correction. The dipole-dipole derivative is implemented in Python and in the Rust backend (phonors.derivative_recip_dipole_dipole); group-velocity calculation with Gonze-Lee NAC now uses the analytical derivative by default. The finite-difference path is still available by setting GV_DELTA_Q (or --gv-delta-q). To reproduce the previous behavior (v4.0.1 and earlier), set GV_DELTA_Q = 1e-5 (the former implicit default for Gonze-Lee NAC).

May-18-2026: Version 4.0.1

  • Bug fix: AttributeError in phonopy-init when plotting with certain graph attributes.

May-16-2026: Version 4.0.0

Major breaking changes. See {ref}migration_v4 for the upgrade guide.

  • CLI split into phonopy-init (setup: displacements, FORCE_SETS / FORCE_CONSTANTS conversion, --symmetry) and phonopy (phonon calculation). phonopy-load is kept as a deprecated alias of phonopy. The phonopy argument parser now rejects setup flags (-d, --rd, -f, --fz, --fc, --symmetry) and points the user to phonopy-init.
  • primitive_matrix default changed to "auto" across Phonopy, phonopy.load, and the CLI (--pa). Pass "P" (or --pa P) for the identity transformation. A value stored in a phonopy.yaml file still takes priority over the default.
  • --nac was removed. NAC is now enabled automatically when a BORN

... (truncated)

Commits
  • 0cf619f Merge pull request #864 from phonopy/release
  • 133dfe4 Set version 4.2.1
  • 10c8efb Merge pull request #863 from phonopy/vca-weighted-species
  • 1798b0b Sort --help options
  • ef657b6 Use raw force constants for site-mixture cells and skip redundant --site-mixture
  • 35a001e Compute weight-folded force constants via displacement scaling and effective ...
  • f26ef92 Add divide-by-weight force handling and type-aware FD solver for site-mixture
  • 054fb35 Add non-merge site-mixture scheme with CLI and weight in yaml
  • a9ee983 Support co-located VCA atoms in supercell and primitive construction
  • 6302661 Make atomic permutation matching type-aware for co-located atoms
  • Additional commits viewable in compare view

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Updates the requirements on [phonopy](https://github.com/phonopy/phonopy) to permit the latest version.
- [Changelog](https://github.com/phonopy/phonopy/blob/main/doc/changelog.md)
- [Commits](phonopy/phonopy@v2.43.6...v4.2.1)

---
updated-dependencies:
- dependency-name: phonopy
  dependency-version: 4.2.1
  dependency-type: direct:development
...

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 Jun 22, 2026
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