pymatgen>=2022.2.10
custodian>=2024.3.12
jobflow>=0.1.11
emmet-core>=0.80.0
turbomoleio==1.4.0

[dev]
pre-commit>=2.12.1

[docs]
sphinx
sphinx_design
pydata-sphinx-theme
sphinx-copybutton
autodoc_pydantic>=2.0.0
sphinxcontrib-mermaid

[docs_erdantic]
autodoc_pydantic[erdantic]>=2.0.0

[tests]
pytest==8.1.1
pytest-cov==5.0.0
pytest-mock==3.14.0
mongomock==4.1.2
