© 2025-2026 PySpect
| Dependency | Optional | Group |
|---|---|---|
| numpy | false | |
| packaging | false | |
| periodictable | false | |
| scipy | false |
| Package | Optional | Group |
|---|---|---|
| coupled-cluster-py | false | |
| atomate2 | true | cclib |
| ase | true | bridges |
| biopython | true | bridges |
| coverage | true | test |
| openbabel | true | bridges |
| pandas | true | bridges |
| pyscf | true | bridges |
| pytest | true | test |
| pytest-cov | true | test |
| qc-iodata | true | bridges |
| sphinx | true | docs |
| sphinx-rtd-theme | true | docs |