v2.0a4

[2.0a4] - 2024-08-18

Added

• Added range checks for CompositionConverter methods taking a parametric composition axis index
• Added FormationEnergyCalculator
• Added make_standard_axes, make_normalized_origin_and_end_members
• Added pretty_json, print_axes_summary, and print_axes_table
• Added methods to CompositionCalculator: allowed_occs, vacancy_names, from_dict, to_dict, repr
• Added CompositionConverter.repr
• Added include_va option to CompositionConverter.param_chem_pot_formula to allow printing formulas with or without "chem_pot(Va)"

Fixed

• Fixed CompositionConverter.origin_formula, which was calling the wrong method
• Removed extra space in CompositionConverter.param_chem_pot_formula with leading negative term

v2.0a3

[2.0a3] - 2024-07-12

Changed

• Wheels compiled with numpy>=2.0.0

v2.0a2

[2.0a2] - 2024-03-13

Added

• Build python3.12 wheels

Changed

• Update libcasm-global dependency to >=2.0.4
• Use index_to_kcombination and nchoosek from libcasm-global 2.0.4

v2.0a1

[2.0a1] - 2023-08-17

This release separates out casm/composition from CASM v1. It creates a Python package, libcasm.composition, that enables using casm/composition and may be installed via pip install, using scikit-build, CMake, and pybind11. This release also includes API documentation for using libcasm.composition, built using Sphinx.

Added

• Added JSON IO for composition::CompositionConverter
• Added Python package libcasm.composition to use CASM composition converter and calculation methods.
• Added scikit-build, CMake, and pybind11 build process
• Added GitHub Actions for unit testing
• Added GitHub Action build_wheels.yml for Python x86_64 wheel building using cibuildwheel
• Added Cirrus-CI .cirrus.yml for Python aarch64 and arm64 wheel building using cibuildwheel
• Added Python documentation

Removed

• Removed autotools build process
• Removed boost dependencies