ase>=3.28.0
numpy<3,>=1.26
scipy<2,>=1.13
pydantic<3,>=2
ruamel.yaml<0.20,>=0.18
seekpath<3,>=2.2
sella<3,>=2.5

[dev]
pytest<10,>=8.4
build<2,>=1.5
twine<7,>=6.2

[dp]
deepmd-kit>=3.1.3

[parallel]
mpi4py>=4.1.2

[plot]
matplotlib<4,>=3.9

[release]
build<2,>=1.5
twine<7,>=6.2

[test]
pytest<10,>=8.4
