v1.3.2

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.