MolSSI / QCFractal

A distributed compute and database platform for quantum chemistry.
https://molssi.github.io/QCFractal/
BSD 3-Clause "New" or "Revised" License
143 stars 47 forks source link

Fix unique index on base dataset #813

Closed bennybp closed 3 months ago

bennybp commented 3 months ago

Description

Fixes the unique index on the base dataset table.

For some reason, some instances of QCFractal are missing this index, while others have it. This migration should be safe in both instances

Changelog description

Fixes unique index in base dataset table

Status

bennybp commented 3 months ago

Python 3.9 failures are due to networkx pins on conda-forge packages being incorrect. The newest version of networkx is actually incompatible with python 3.9, but that's not reflected in the c-f recipe: https://github.com/conda-forge/networkx-feedstock/pull/57