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@mesonepigreco mesonepigreco commented Oct 3, 2025

This new fix should allow CellConstructor to work with more recent versions of SPGLib.
We defined a new function get_spglib_cell, which is required for use with newer versions of spglib, as they dropped support for calling their subroutine using ASE atoms after version 2.2.

Should fix #110

@mesonepigreco mesonepigreco merged commit d4a100a into master Oct 3, 2025
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Update spglib dependency to be compatible with newer versions

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