numpy>=1.24
scipy>=1.10
matplotlib>=3.7
gemmi>=0.6

[all]
grok-phase-solver[dev,gpu,gui,ml,seed-quality]

[cctbx]

[dev]
pytest>=7.0
pytest-cov>=4.0
ruff>=0.1
jupyter>=1.0
ipykernel>=6.0

[gpu]
torch>=2.0

[gui]
streamlit>=1.28
pandas>=2.0
plotly>=5.18

[ml]
torch>=2.0

[seed-quality]
scikit-learn>=1.3
joblib>=1.3
