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v1.3.2

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@ajjackson ajjackson released this 16 Jul 14:58
· 13 commits to master since this release
v1.3.2
e85ded5

WARNING: the PyPI wheels for this release are built against "old" Numpy and will not work with Numpy 2.0. Source builds against the new Numpy ABI are expected to work.

  • Requirements

    • packaging library added to dependencies.

  • Bug fixes

    • Fixed an error loading QpointPhononModes from JSON when there is a
      single q-point in the data

  • Improvements

    • When loading .castep_bin files, explicitly check the CASTEP
      version number and give a useful error message if this is < 17.1.
      (These files are missing information about the unit cell origins,
      and would previously cause an error with an unhelpful message.)

  • Maintenance

    • Compatibility fix for spglib 2.4 update: a new sanity-check in
      spglib raises TypeError when using empty unit cell and this needs
      handling when looking for high-symmetry labels

    • Compatibility fix for Numpy 2.0 update: avoid some
      broadcasting issues with array shape returned by np.unique

    • Update reference to scipy.integrate.simpson (scipy.integrate.simps
      is deprecated)

    • Filter out spglib deprecation warnings caused by SeeK-path.

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