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branch: rosetta:commits 「№20727」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「eb335bbef」  code diff
Scheduled at: 2025-04-03 17:22:13.560613
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←eb335bbef6d6c316ce39cc03c8dca6ea8f2c8ac3 Updated Ligand Motifs Code ---------------- Merge commit message: uploading these likely better cleaned files so that we pass beautification this time

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Test: ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit


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Test: ubuntu.gcc.code_quality.merge_size


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branch: rosetta:commits 「№20726」
Commited by: Ginsparg
GitHub commit link: 「747ff007b21726e1」
Difference from previous tested commit:  code diff
Commit date: 2025-04-03 20:12:52
code_quality.beautify

ran cleaner on files

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branch: rosetta:commits 「№20725」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「747ff007b」  code diff
Scheduled at: 2025-04-03 16:15:13.837888
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←747ff007b21726e145f002eb7f2bdae48cac020f Updated Ligand Motifs Code ---------------- Merge commit message: ran cleaner on files

Rosetta Benchmark 13 hours
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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Test: ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit


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Test: linux.gcc.code_quality.beautification


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Test: ubuntu.gcc.code_quality.merge_size


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branch: rosetta:commits 「№20724」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「fb596fa26」  code diff
Scheduled at: 2025-04-03 16:06:45.831535
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←fb596fa26ec004e69a801ce966cab099af497678 Updated Ligand Motifs Code ---------------- Merge commit message: adjusting integration test flag file to drop the differential ratio cutoff from 0.15 to 0.10 to account for the bug that was fixed with calculation of sub area volume. Since the sub areas are larger, the placed ligand occupies less, and so the differential should be lower to still catch the same ligand placements

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branch: rosetta:commits 「№20723」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「2aa9cf948」  code diff
Scheduled at: 2025-04-03 15:46:34.836606
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←2aa9cf948d0692046753bd9c650ec3c30bf68332 Updated Ligand Motifs Code ---------------- Merge commit message: attempting revert from commit before I broke getting the expected outputs

Rosetta Benchmark 15 hours
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20722」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「ddf4b627a」  code diff
Scheduled at: 2025-04-03 15:38:54.273854
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←ddf4b627a968b986a5dfaa7130d23a329a03d853 Updated Ligand Motifs Code ---------------- Merge commit message: attemptign to revert, because I lost an expected placement

Rosetta Benchmark 15 hours
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20721」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「cdad13c16」  code diff
Scheduled at: 2025-04-03 15:20:37.653299
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←cdad13c1633e8d33408a1d4c04664aa4af067d57 Updated Ligand Motifs Code ---------------- Merge commit message: removing debug cout statements to prepare for final review, now that this is likely working

Rosetta Benchmark 15 hours
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20720」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「8f912b9bf」  code diff
Scheduled at: 2025-04-03 15:03:01.610776
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←8f912b9bf916a4ffd6a4c75164b6ef7723612695 Updated Ligand Motifs Code ---------------- Merge commit message: temporarily removing clash statement, it may be broken

Rosetta Benchmark 16 hours
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20719」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「42a77382f」  code diff
Scheduled at: 2025-04-03 14:45:41.883228
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←42a77382f8ee6c84c50f493a83dc86279730f107 Updated Ligand Motifs Code ---------------- Merge commit message: adding concrete debug statements to score_minipose that print the atr, rep, and atr_rep of the minipose

Rosetta Benchmark 16 hours
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20718」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「5d8c6e132」  code diff
Scheduled at: 2025-04-03 14:20:22.996802
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←5d8c6e13229f1ccfc75fee7545b9a1402a1962cc Updated Ligand Motifs Code ---------------- Merge commit message: I forgot to save adding additional prints...

Rosetta Benchmark 16 hours
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20717」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「5d68e7eeb」  code diff
Scheduled at: 2025-04-03 14:11:53.388323
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←5d68e7eebedc46d305ce643ed529d73a9aff7713 Updated Ligand Motifs Code ---------------- Merge commit message: adding additional print lines to trace, and I think there was missing code for recalculating the fill ratios at the end of the space fill analysis with the ligand

Rosetta Benchmark 17 hours
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20716」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「d365496e7」  code diff
Scheduled at: 2025-04-03 12:37:36.204521
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←d365496e7095d12b6edc1024fbfefe3f1eb99489 Updated Ligand Motifs Code ---------------- Merge commit message: potential fix for oversight in calculation of matrix fullness where there would be extra fullness increments on spaces that are occupied by the same atom (especially with space fill)

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Test: ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit


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Test: linux.gcc.code_quality.beautification


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Test: ubuntu.gcc.code_quality.merge_size


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branch: rosetta:commits 「№20715」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「164833f8c」  code diff
Scheduled at: 2025-04-03 12:08:28.139088
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←164833f8c4a55c28f8281ff6d5e7151a6a8a2883 Updated Ligand Motifs Code ---------------- Merge commit message: fullness calculations are wonky, adding print statements at time of matrix print to determine what the fullness values truly are to start fixing

Rosetta Benchmark 18 hours
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
...
Test: linux.gcc.code_quality.beautification


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branch: rosetta:commits 「№20714」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「77853c079」  code diff
Scheduled at: 2025-04-03 11:59:42.259160
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←77853c079f71a3297328a94f0a6dfbc3b00af115 Updated Ligand Motifs Code ---------------- Merge commit message: moving call of define_sub_regions to after the protein_matrix is filled out, as this may fix the segfault

Rosetta Benchmark 19 hours
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20713」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「3c196b10c」  code diff
Scheduled at: 2025-04-03 11:43:16.355095
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←3c196b10c7d00f7076287a68f5018d4981ff70ad Updated Ligand Motifs Code ---------------- Merge commit message: adding extra print to confirm the xyz_bound of the matrix and see if the sub area min and max are not properly inscribed within the main boundaries

Rosetta Benchmark 19 hours
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20712」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「74f819c4d」← 「1addd284c」  code diff
Scheduled at: 2025-04-03 11:34:08.602658
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←1addd284c38162ddbefa56a42641c9e12b449f8b Updated Ligand Motifs Code ---------------- Merge commit message: adjusting debug prints to cout so I can more easily print them out while I debug and can flag to remove the lines once fixed

Rosetta Benchmark 19 hours
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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