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Revisions №62229

branch: rosetta:main 「№62229」
Commited by: Jason C. Klima
GitHub commit link: 「b166af21f0776040」
Difference from previous tested commit:  code diff
Commit date: 2026-04-10 16:11:34
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
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Updating documentation and typing for PyRosettaCluster (#646) This PR adds several improvements to the _PyRosettaCluster_ framework. ### Major changes (maintaining runtime functionality) 1. Improve formatting and clarity of docstrings for Sphinx-based PyRosetta documentation. 2. Consolidate typing aliases into a single `pyrosetta.distributed.cluster.type_defs` module for easier maintainability. 3. Add typing to attributes in `attrs` classes. 4. Clean up imports and typing (preserving Python-3.8 compatibility) 5. Add `pickle` and `cloudpickle` warnings to relevant docstrings. 6. Clarify and format logging and error messages. 7. Add `PackedPoseHasher` and `secure_read_pickle` to the top-level `pyrosetta.distributed.cluster` namespace for easier usability. ### Minor changes (updating runtime functionality) 8. Update usage of `dataclasses` module to use the `attrs` package instead. Also package Dask task arguments in a new `ExtraArgs` `attrs` class (with slots and typing) instead of a simple dictionary. 9. Slightly loosen a validation: test whether two Base64-encoded pickled `Pose` objects are identical -> test whether the scientific state of two `Pose` objects are identical. 10. Handle edge case of single dictionary outputs from PyRosetta protocols decorated with the `reserve_scores` decorator. 11. Handle edge case of unordered iterables (i.e., `set` objects) and raise exceptions: input PyRosetta protocols, and outputs produced by PyRosetta protocols, must be ordered for reproducibility purposes. 12. Fix exception handling for `Exception` rather than `BaseException`.

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Test: ubuntu.gcc.integration.addsan

Failed sub-tests (click for more details):
ligand_dock_ensemble
Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking revold
Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
cmaes_minimizer
Test: linux.clang.integration.tutorials

Failed sub-tests (click for more details):
input_and_output
Test: linux.clang.maintenance.documentation

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Test: ubuntu-20.04.clang.python36.scientific.mp_lipid_acc

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Test: ubuntu-20.04.gcc.cxx11thread.mpi.serialization.python36.scientific.peptide_pnear_vs_ic50.debug

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