All notable changes to casm-tools will be documented in this file.
The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.
- Set requires-python to ">=3.10,<3.15" to match the wheels being built for CASM C++ extensions and distributed on PyPI.
- Changed libcasm package dependencies to latest versions, which will avoid potential compatibility issues between older versions of libcasm packages and the planned libcasm-xtal>=3.
- Use
libcasm.mapping.mapsearch.make_atom_to_site_cost_futurefor making atom to site cost functions.
This release creates the casm-tools package, which provides pure Python CLI tools and helper functions. This includes:
- casm-calc: Setup, run, and report results of structure calculations
- casm-map: Structure mapping and import
- casm.tools.shard: Helper functions for I/O, integrating with ASE, and context managers.