numpy>=1.22
pandas>=1.4
matplotlib>=3.5
pyyaml>=6.0
pymatgen>=2023.1.1
phonopy<4,>=2.17

[agent]
langgraph>=1.0
langchain-anthropic>=1.0

[dev]
pytest>=7
build
twine
ruff

[test]
pytest>=7
langgraph>=1.0
langchain-anthropic>=1.0
