branch: rosetta:commits 「№20685」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」「6f7b4801b」  code diff
Scheduled at: 2025-03-26 14:31:50.754946
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression 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 util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←6f7b4801ba5592270f47a61953979ace7a1afb5b Updated Ligand Motifs Code ---------------- Merge commit message: making small fix that reassigns smallest and largest xyz values when declared so that the linuxgccrelease compile doesn't break/warn because of the possibility that the variables could be used before being assigned a value.

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branch: rosetta:commits 「№20684」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№374」
Merge: 「74f819c4d」「84ee0a220」  code diff
Scheduled at: 2025-03-26 14:08:01.250733
maintenance.documentation

Pull Request №374 RosettaCommons/rosetta/main ← roccomoretti/rosetta/update_doc_maintenance Merge: 74f819c4dd58142810833fb8e63211f2974ee342←84ee0a220157e5f42d12f6b0259db03be02d2aa5 Fix for the maintenance.documentation test ---------------- Merge commit message: Improve the wording and update the documentation repo.

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branch: rosetta:commits 「№20683」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」「99d10ccaf」  code diff
Scheduled at: 2025-03-26 13:32:34.272014
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression 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 util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←99d10ccaf81f9e00ef71898165029a5dcda7ab69 Updated Ligand Motifs Code ---------------- Merge commit message: making logical fixes to matrix code now to check and make sure things still work before I attempt to extract the matrix code to its own class

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branch: rosetta:commits 「№20682」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№374」
Merge: 「74f819c4d」「981024ac9」  code diff
Scheduled at: 2025-03-26 13:26:33.266784
maintenance.documentation

Pull Request №374 RosettaCommons/rosetta/main ← roccomoretti/rosetta/update_doc_maintenance Merge: 74f819c4dd58142810833fb8e63211f2974ee342←981024ac9ef7528d920d632f56443b56e59ac41d Fix for the maintenance.documentation test ---------------- Merge commit message: Better description of needed actions.

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branch: rosetta:commits 「№20681」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」「174d7e498」  code diff
Scheduled at: 2025-03-26 11:48:37.048311
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression 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 util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←174d7e49897b35e87019ebd738ba17ffede55b56 Updated Ligand Motifs Code ---------------- Merge commit message: simplifying tracer usage back to a single global tracer called in different functions

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branch: rosetta:commits 「№20680」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」「6393ad676」  code diff
Scheduled at: 2025-03-26 11:38:45.160231
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression 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 util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←6393ad6768479cb7a06f5144a14c88e11d201f86 Updated Ligand Motifs Code ---------------- Merge commit message: cleaning logic of resetting working pose to just directly assign working_pose_ as clone of original

Rosetta Benchmark 2 weeks
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branch: rosetta:commits 「№20679」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」「304c6d978」  code diff
Scheduled at: 2025-03-26 11:29:37.255457
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression 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 util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←304c6d9784e1ba40e11b37ed861c400e9e87870c Updated Ligand Motifs Code ---------------- Merge commit message: optimizing and organizing code to be smarter with use of the whole vs atr_rep functions, and selecting their usage at the score function initialization, rather than selection of usage during discovery

Rosetta Benchmark 2 weeks
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branch: rosetta:commits 「№20678」
Commited by: Ginsparg
GitHub commit link: 「ae22936ff6d0afec」
Difference from previous tested commit:  code diff
Commit date: 2025-03-25 21:15:11
code_quality.beautify

reverting header changes because we break the header test without including the handful of .hh files we do have, since they are needed for the member objects as the object currently exists

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branch: rosetta:commits 「№20677」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」「ae22936ff」  code diff
Scheduled at: 2025-03-25 17:17:17.665573
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression 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 util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←ae22936ff6d0afecda4b8326532066e636d0975c Updated Ligand Motifs Code ---------------- Merge commit message: reverting header changes because we break the header test without including the handful of .hh files we do have, since they are needed for the member objects as the object currently exists

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branch: rosetta:commits 「№20676」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」「5d5ff9b9e」  code diff
Scheduled at: 2025-03-25 16:59:18.730504
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression 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 util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←5d5ff9b9ef8266ca28ca89a993a82f32c67f809f Updated Ligand Motifs Code ---------------- Merge commit message: moving modification ot working and original pose rts only if we actually change the rts (and not always overwrite with itself if we call the add ligand to pose rts function

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branch: rosetta:commits 「№20675」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」「1c81d545a」  code diff
Scheduled at: 2025-03-25 16:49:11.338659
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression 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 util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←1c81d545af6ed2838958ff7d204956ee5658b329 Updated Ligand Motifs Code ---------------- Merge commit message: try to pull the ligand from the poseRTS instead of pull out the default rts from the postRTS and then check

Rosetta Benchmark 2 weeks
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branch: rosetta:commits 「№20674」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」「339ac97bd」  code diff
Scheduled at: 2025-03-25 16:39:31.215970
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression 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 util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←339ac97bd7cdae399bcce08cc2ad1e0324e3d76a Updated Ligand Motifs Code ---------------- Merge commit message: fixing bad logic, implementing better logic to remove back casting

Rosetta Benchmark 2 weeks
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branch: rosetta:commits 「№20673」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」「352325e20」  code diff
Scheduled at: 2025-03-25 16:28:55.105457
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression 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 util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←352325e2000ba0629079b2e49860b016ee72c8e8 Updated Ligand Motifs Code ---------------- Merge commit message: adjusting constraint set addition to make better use of pointers

Rosetta Benchmark 2 weeks
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branch: rosetta:commits 「№20672」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」「f0ba36914」  code diff
Scheduled at: 2025-03-25 16:18:59.646500
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression 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 util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←f0ba3691406eb4520b4b90442f8965d93a4887b7 Updated Ligand Motifs Code ---------------- Merge commit message: types is hh only

Rosetta Benchmark 2 weeks
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branch: rosetta:commits 「№20671」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」「f8fc5d64d」  code diff
Scheduled at: 2025-03-25 16:09:05.474193
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression 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 util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←f8fc5d64ddc69307b030e916c7dcd31b06b7ccb9 Updated Ligand Motifs Code ---------------- Merge commit message: fixing .hh to .fwd.hh includes in these hh files

Rosetta Benchmark 2 weeks
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branch: rosetta:commits 「№20670」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」「cd4be60dd」  code diff
Scheduled at: 2025-03-25 15:31:32.263774
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression 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 util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: 74f819c4dd58142810833fb8e63211f2974ee342←cd4be60ddca8702d67f8c22b64b0caf520b8a5ab Updated Ligand Motifs Code ---------------- Merge commit message: removing extra code that was accidentally left in and broke the function

Rosetta Benchmark 2 weeks
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