stk-lite
rmsd

[dev]
ruff
mypy
pytest
pytest-datadir
pytest-lazy-fixtures
pytest-cov
sphinx
sphinx-copybutton
sphinx-rtd-theme
chemiscope
moldoc==3.0.0

[dev:sys_platform == "linux" or (sys_platform == "darwin" and platform_machine == "arm64")]
gfnff>=0.3.0
