nomad-lab[infrastructure]>=1.3.13
nomad-schema-plugin-simulation-workflow>=1.0.1
nomad-schema-plugin-run>=1.0.1
lxml>=5.2
asr==0.4.1
ase>=3.22
xarray>=0.20.1
phonopy<=2.38,>=2.35
h5py>=3.11.0
pydantic>=1.10.8
netcdf4<=1.7.2
h5netcdf

[tests]
astroid>=2.11.7
mypy>=1.15
pytest
pytest-timeout
pytest-cov
ruff
typing-extensions>=4.12
coverage
coveralls
types-PyYAML
