© 2025-2026 PySpect
| Dependency | Optional | Group |
|---|---|---|
| h5py | false | |
| matplotlib | false | |
| numpy | false | |
| phonors | false |
| Package | Optional | Group |
|---|---|---|
| abipy | false | |
| matcalc | false | |
| mattersim | false | |
| phono3py | false | |
| sumo | false | |
| vise | false | |
| atomate2 | true | phonons |
| atomman | true | convert |
| calorine | true | additional-features |
| crystal-toolkit | true | phonon |
| emmet-core | true | all |
| nequix | true | pft |
| pymatgen | true | optional |
| pymatgen-core | true | optional |
| pymatviz | true | phonons |
| pypolymlp | true | phonopy |
| quacc | true | phonons |
| torch-sim-atomistic | true | io |
| pyyaml | false |
| spglib | false |
| symfc | false |
| cp2k-input-tools | true | cp2k |
| mypy | true | dev |
| pypolymlp | true | pypolymlp |
| pytest | true | dev |
| ruff | true | dev |
| seekpath | true | seekpath |