Minor updates to uv project export machinery in PyRosettaCluster #608
+67
−48
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This minor PR addresses:
requirements.txtfile from the uv project, theuv.lockfile is cached (similar to Pixi which caches thepixi.lockfile). The reason for this change is several-fold:requirements.txtfile does not pin the Python version being used to execute thePyRosettaClustersimulation. We were relying on thepyproject.tomlfile to provide this information, however, if the user doesn't pin the Python version in it, then there's no record of which Python version is being used (other than inspecting the PyRosetta build string or another hack).uv exportcommand doesn't provide sha256 hashes for custom registries. Now thatpyrosettais shipped quarterly, this disallows using theuv pip sync --require-hashesflag which would match hashes for each requirement, making reproduction more robust. Whileuv pip compiledoes support the--generate-hashesflag, again the Python version is not captured in arequirements.txtfile.uv exportdoesn't support emitting the--find-linkspaths into the exportedrequirements.txtfile. Whileuv pip compiledoes support the--emit-find-linksflag, again the Python version is not captured in arequirements.txtfile.self.toml_formatattribute is still set for the edge case where the uvpyproject.tomlfile cannot be automatically located via either theUV_PROJECTenvironment variable or the current working directory (which currently leads to anAttributeErrorupon saving results). A more helpful warning message is provided herein.FutureWarnings regarding thefilter_resultsandnorm_task_optionsclass attributes being enabled by default, which were introduced in version2.1.0(merged ~8/25) and3.0.0(merged ~10/25), respectively.