qc2nl / qc2

Facilitate the orchestration of quantum chemistry applications on quantum computers
https://qc2.readthedocs.io/
Apache License 2.0
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Check qc2-ase DIRAC compatibility with DIRAC24 #56

Open Cmurilochem opened 7 months ago

Cmurilochem commented 7 months ago

There is a new release of DIRAC, DIRAC24. Based on the many changes they like to make from one version to the other, it would be important for the project to check its compatibility with our existing DIRAC ASE calculator.

To avoid doing this everytime a new release appear, we should (in the near future) consider adding DIRAC and test our calculator on the fly in the CI/CD

Also, I have recently created a merge request in the official DIRAC GitLab repo to try to make this calculator available in the next release of DIRAC.