numpy>=1.20.0
scipy>=1.7.0
pyparsing>=3.0.0
pdbreader>=0.1.0
mmcif>=0.1.0

[build]
build>=0.8.0
twine>=4.0.0
setuptools-scm>=6.2.0

[dev]
pytest>=7.0.0
pytest-cov>=4.0.0
black>=22.0.0
mypy>=1.0.0
flake8>=6.0.0
isort>=5.0.0

[docs]
sphinx>=5.0.0
sphinx-rtd-theme>=1.0.0
sphinx-autodoc-typehints>=1.0.0
