Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←a3327d8304c28490ad5d60a34d52bbc8485b8bad Updated Ligand Motifs Code ---------------- Merge commit message: adding another sanity check to make sure that we are actually getting the right motifs

• Summary
• linux.clang.build.debug
• linux.clang.build.release
• serialization 「1」
• integration.release_debug
• performance
• profile
• linux.clang.score
• linux.clang.unit
• windows.build.debug

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←7bd5ec6dc2d4dc8879f91f48c10efccd0bdf8cb7 Updated Ligand Motifs Code ---------------- Merge commit message: sanity check to try to figure out why we may not be getting real_match_found as false

• Summary
• linux.clang.build.debug
• linux.clang.build.release
• serialization 「1」
• integration.release_debug
• performance
• profile
• linux.clang.score
• linux.clang.unit
• windows.build.debug
• windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←66db62ff8d16d1ec817df012ea71b09f0528623e Updated Ligand Motifs Code ---------------- Merge commit message: missing semicolon

• Summary
• mac.clang.python38.PyRosetta.unit
• linux.clang.build.debug
• mac.clang.build.debug
• linux.clang.build.release
• mac.clang.build.release
• beautification
• serialization 「1」
• integration.mpi 「1」
• integration.release_debug
• integration.thread 「0」
• integration
• performance
• profile
• linux.clang.score
• mac.clang.score
• linux.clang.unit
• mac.clang.unit
• windows.build.debug
• windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←1a5c341ffdf458ceab0f84c4b4f02ea9068a0c54 Updated Ligand Motifs Code ---------------- Merge commit message: reverting loop logic over cur_trip because I think this may be the issue on why we are no longer recognizing any motifs

• Summary
• mac.clang.python38.PyRosetta.unit
• ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit
• linux.clang.build.debug
• mac.clang.build.debug
• linux.clang.build.release
• mac.clang.build.release
• beautification
• serialization 「1」
• integration.mpi 「1」
• integration.release_debug
• integration.thread 「0」
• integration
• performance
• profile
• linux.clang.score
• linux.gcc.score 「0」
• mac.clang.score
• linux.clang.unit
• mac.clang.unit
• windows.build.debug
• windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←04aac098e7daf07230da218a744c0932f7f37e2f Updated Ligand Motifs Code ---------------- Merge commit message: adding additional debugging to figure out why the motif library seems to be empty after running process_for_motifs

• Summary
• linux.clang.build.debug
• linux.clang.build.release
• beautification
• serialization 「1」
• integration.release_debug
• performance
• profile
• linux.clang.score
• linux.clang.unit
• windows.build.debug
• windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←2646d7162902c9b907e130f6de2f4ac2378ce9b9 Updated Ligand Motifs Code ---------------- Merge commit message: adding debugging lines for the real motif check

• Summary
• mac.clang.python38.PyRosetta.unit
• mac.clang.build.debug
• mac.clang.build.release
• integration
• performance
• profile
• mac.clang.score
• mac.clang.unit
• windows.build.debug
• windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←2f9b9a469437773aefbeb8e183e5b456593b0e29 Updated Ligand Motifs Code ---------------- Merge commit message: removing a not super useful tracer

• Summary
• mac.clang.python38.PyRosetta.unit
• ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit
• linux.clang.build.debug
• mac.clang.build.debug
• linux.clang.build.release
• mac.clang.build.release
• beautification
• code_quality.merge_size
• serialization 「1」
• integration.mpi 「1」
• integration.release_debug
• integration.tensorflow
• integration.thread 「0」
• integration
• performance
• profile
• linux.clang.score
• linux.gcc.score 「0」
• mac.clang.score
• scripts.pyrosetta
• linux.clang.unit
• mac.clang.unit
• windows.build.debug
• windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←e0edeab02914614d0ebccfb6a568c04aa497ed1c Updated Ligand Motifs Code ---------------- Merge commit message: adding additinoal tracing lines to try to figure out the issue

• Summary
• linux.clang.build.debug
• linux.clang.build.release
• performance
• profile
• windows.build.debug

trigger clean rebuild

• Summary

Pull Request №197 RosettaCommons/rosetta/main ← JackMaguire/rosetta_not_sele_pr/patch_message Merge: 052e816d22dacac6b21b887def5d75be75156ab8←c69d7f6787ba0679ca5faa05f8d6e432c62f5ff7 Negative unit test for bad patches ---------------- Merge commit message: TS_ASSERT_THROWS_ANYTHING

• Summary

Pull Request №197 RosettaCommons/rosetta/main ← JackMaguire/rosetta_not_sele_pr/patch_message Merge: 052e816d22dacac6b21b887def5d75be75156ab8←cb021a9889835d9ffedd1969deaf16c1cf1ef314 Negative unit test for bad patches ---------------- Merge commit message: typo fix

• Summary
• beautification
• code_quality.beautify

Pull Request №187 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 052e816d22dacac6b21b887def5d75be75156ab8←7beceb352a3763c948815c2c663a4a1e879a7c31 PyRosetta, preliminary PR to add Python-3.13 support ---------------- Merge commit message: update Python-3.13 source URL

• Summary
• linux.clang.cxx11thread.serialization.python37.PyRosetta.unit 「1」

Pull Request №187 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 052e816d22dacac6b21b887def5d75be75156ab8←a15288b8ba680e8dc78baae3ce46a993ad6f9e43 PyRosetta, preliminary PR to add Python-3.13 support ---------------- Merge commit message: Merge branch 'main' into pyrosetta

• Summary
• linux.clang.cxx11thread.serialization.python37.PyRosetta.unit 「1」

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←1f60bfa2b1501dc64e0c14db749a76a94ea87d87 Updated Ligand Motifs Code ---------------- Merge commit message: fixed call to wrong variable

• Summary
• linux.clang.cxx11thread.serialization.python37.PyRosetta.unit
• linux.clang.cxx11thread.serialization.python38.PyRosetta.unit
• mac.clang.python38.PyRosetta.unit
• linux.clang.build.debug
• linux.gcc.build.debug
• linux.gcc.cxx11thread.serialization.build.debug
• mpi
• mpi.serialization
• mac.clang.build.debug
• build.ninja_debug
• linux.clang.build.release
• linux.gcc.build.release
• mac.clang.build.release
• beautification
• code_quality.merge_size
• serialization 「1」
• integration.mpi
• integration.release_debug
• integration.tensorflow
• integration.thread
• integration.torch
• integration
• performance
• profile
• linux.clang.score
• linux.gcc.score
• mac.clang.score
• linux.clang.python312.scripts.pyrosetta
• linux.clang.python39.scripts.pyrosetta
• linux.clang.scripts.rosetta.parse
• linux.clang.scripts.rosetta.validate
• linux.clang.scripts.rosetta.verify
• linux.clang.unit
• linux.gcc.cxx11thread.serialization.unit
• linux.gcc.unit
• mac.clang.unit
• windows.build.debug
• windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←84ea0bcc0efe29ece41db0eb0760427420fd7619 Updated Ligand Motifs Code ---------------- Merge commit message: a little cleanup as well as submiting initial build of determine_real_motifs app, which utilizes the IdentifyLigandMotifs evaluate_motifs_of_pose function on an inputted pose and creates a new pose with comments based on the motifs collected off the pdb

• Summary
• linux.clang.cxx11thread.serialization.python37.PyRosetta.unit
• mac.clang.python38.PyRosetta.unit
• linux.clang.build.debug
• linux.gcc.build.debug
• linux.gcc.cxx11thread.serialization.build.debug
• mpi
• mpi.serialization
• mac.clang.build.debug
• build.ninja_debug
• linux.clang.build.release
• linux.gcc.build.release
• mac.clang.build.release
• beautification
• code_quality.cppcheck 「1」
• code_quality.merge_size
• serialization 「2」
• integration.mpi
• integration.release_debug
• integration.tensorflow
• integration.thread
• integration.torch
• integration
• performance
• profile
• linux.clang.score
• linux.gcc.score
• mac.clang.score
• scripts.pyrosetta
• scripts.rosetta.parse
• scripts.rosetta.validate
• scripts.rosetta.verify
• linux.clang.unit
• linux.gcc.cxx11thread.serialization.unit
• linux.gcc.unit
• mac.clang.unit
• windows.build.debug
• windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←07f4ce7eb442454a7e0c5da207a1222bb6673de2 Updated Ligand Motifs Code ---------------- Merge commit message: adding additinoal tracing to resolve an issue

• Summary
• beautification
• code_quality.merge_size
• integration.mpi 「23」
• integration.release_debug 「4」
• integration 「2」
• linux.clang.score 「0」
• linux.gcc.score 「0」
• mac.clang.score 「0」

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