aiidateam / aiida-core

The official repository for the AiiDA code
https://aiida-core.readthedocs.io
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Updating `tabulate` requirement #6470

Closed ml-evs closed 5 days ago

ml-evs commented 2 weeks ago

Is your feature request related to a problem? Please describe

aiida-core and the latest pymatgen can no longer be installed alongside each other, since pymatgen now 'requires' tabulate>=0.9 and aiida-core requires tabulate~=0.8.5. We are running into this in optimade-python-tools, which has to support both libraries.

Describe the solution you'd like

Testing the latest tabulate version (released 2022) with aiida-core, and if all is good, releasing the pin somewhat.

Additional context

Output of uv when trying to install latest versions (explicitly):

$ uv pip install pymatgen==2024.6.4 aiida-core==2.5.2
  × No solution found when resolving dependencies:
  ╰─▶ Because aiida-core==2.5.2 depends on tabulate>=0.8.5,<0.9.dev0 and pymatgen==2024.6.4 depends on
      tabulate>=0.9, we can conclude that aiida-core==2.5.2 and pymatgen==2024.6.4 are incompatible.
      And because you require pymatgen==2024.6.4 and aiida-core==2.5.2, we can conclude that the requirements
      are unsatisfiable.