httk-core<3,>=2.1.0

[atomate2]
atomate2<1,>=0.1.5
jobflow<0.4,>=0.3.1

[cwl]
cwl-utils<1,>=0.32
cwl-upgrader<2,>=1.2

[default]

[dev]
httk-workflow[atomate2,cwl,jobflow]
pytest>=8.0
pytest-xdist>=3.6
ruff<0.17,>=0.16
pyright
mypy
pydoclint<1,>=0.9

[docs]
sphinx
furo
myst-parser
myst-nb
sphinx-autodoc-typehints
sphinx-copybutton
sphinx-autoapi

[jobflow]
jobflow<0.4,>=0.3.1
pymatgen

[release]
build>=1.2
twine>=6.0
