Closed hatemhelal closed 2 months ago
While preparing the conda feedstock for mess, @FNTwin noticed that we use the tabulate package but don't actually include it in our dependencies:
https://github.com/valence-labs/mess/blob/80a338db77922e12a605cde25a100a721e33058f/mess/basis.py#L11
The only usage is to give the Basis::__repr__ method some formatting. It turns out this is only ever seen in non-html terminals for example:
Basis::__repr__
>>> from mess.basis import basisset >>> from mess.structure import Structure >>> mol = Structure(atomic_number=1, position=(0,0,0)) >>> basisset(mol) primitive orbital coefficient norm center lmn alpha ----------- --------- ------------- -------- ---------- ------- -------- 0 0 0.154329 1.79444 [0. 0. 0.] [0 0 0] 3.42525 1 0 0.535328 0.500326 [0. 0. 0.] [0 0 0] 0.623914 2 0 0.444635 0.187735 [0. 0. 0.] [0 0 0] 0.168855
tabulate is what puts the --- in the column header.
---
While preparing the conda feedstock for mess, @FNTwin noticed that we use the tabulate package but don't actually include it in our dependencies:
https://github.com/valence-labs/mess/blob/80a338db77922e12a605cde25a100a721e33058f/mess/basis.py#L11
The only usage is to give the
Basis::__repr__
method some formatting. It turns out this is only ever seen in non-html terminals for example:tabulate is what puts the
---
in the column header.