pysjef>=1.45.31
pytest
regex
lxml
scipy>=1.9.3
numpy
sphinx-rtd-theme>=1.0.0
quadpy>=0.16.10  # NB: PyPI's `pip install`-based paths use legacy-quadpy instead (pyproject.toml) — quadpy went proprietary upstream of 0.17, but conda-forge still serves the free 0.16.10 build
pandas<3
chemcoord==2.1.2
ase>=3.23.0
jsonschema>=4.0.0