Version 0.7

0.7.1

Date: 18 June 2026

Wrap import of spglib into a try-except block to avoid import error when spglib is not installed.

0.7.0

Date: 26 May 2026

Bugfix

• wulfric.get_spglib_types() did not handle the case of unidentifiable species correctly. See also issue #23.

• wulfric.crystal.get_primitive() did not assign the names to the primitive atoms correctly. Fixed (hopefully).

New features

• Implement issue #22.

• Implement issue #24.

• spglib_data.spglib_version. See wulfric.SpglibData.spglib_version.

• Make unit tests a part of the installable package: wulfric.test() in scripts and wulfric test in the terminal.

Breaking changes wrt 0.6

• spglib_data is made to be a dataclass and not a dictionary. Thus, the dictionary-like access is no longer functional. If you used attribute access, then your code should work without modification. If you used dictionary-like access, you need to change it to attribute access. For example, if you used spglib_data['original_cell'], you need to change it to spglib_data.original_cell.

• Previously deprecated function wulfric.cell.sc_get_example_cell is removed. Use wulfric.cell.sc_get_example instead.