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Rework the tests and add them to the GitHub CI
enhancementNew feature or requestNew feature or requestStatus: Open.RFC: AIMNet2 v0.2 salvage of faccts/opi#228, a few design questions before I push the PR
enhancementNew feature or requestNew feature or requestStatus: Open.Move the requirements.txt packages to pyproject.toml
enhancementNew feature or requestNew feature or requestStatus: Open.Update default UMA version to uma-s-1p2
enhancementNew feature or requestNew feature or requestStatus: Open.Option to predownload model files
enhancementNew feature or requestNew feature or requestStatus: Open.gxtb point charge gradient (pcgrad)
enhancementNew feature or requestNew feature or requestupstream-dependencyBlocked: depends on features or fixes in external programs.Blocked: depends on features or fixes in external programs.Status: Open.#19 In faccts/orca-external-tools;- Status: Open.#14 In faccts/orca-external-tools;
Feature suggestion - ALPB (or other) solvation component in UMA script
enhancementNew feature or requestNew feature or requestStatus: Open.