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branch: rosetta:commits 「№20615」
Commited by: Andrew Muenks
GitHub commit link: 「4e95d564dc8b93fb」
Difference from previous tested commit:  code diff
Commit date: 2024-11-12 19:57:32
m1.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release

Ligand identification in cryoEM maps with GALigandDock (#227) This PR contains updates to density tools and GALigandDock to detect unmodeled regions of cryoEM maps and evaluate docked ligands based on their dG and density fit. Changes include: * Adding ligand identity evaluation in multiple_ligands_ mode in GALigandDock if a density map is present * Adding find_unassigned_density to density_tools.cc * Adding the sim_cryo.cc app to simulate cryoEM data * Improvements to docking large ligands, including an alternative density erosion algorithm and alternative crossover and mutations in GALigandDock

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branch: rosetta:commits 「№20614」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№243」
Merge: 「4e95d564d」← 「b4505e50f」  code diff
Scheduled at: 2024-11-14 17:11:32.272814
m1.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release release.rosetta.conda.release

Pull Request №243 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 4e95d564dc8b93fbe830018d2f295f3f69a70dfd←b4505e50fec4806065b35bf471998147365ec513 Update Conda setup ---------------- Merge commit message: fix Conda install

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Test: ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release

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Test: ubuntu.clang.cxx11thread.serialization.python312.release.rosetta.conda.release

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branch: rosetta:commits 「№20613」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№243」
Merge: 「4e95d564d」← 「73d047af5」  code diff
Scheduled at: 2024-11-14 17:02:27.907488
m1.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release release.rosetta.conda.release

Pull Request №243 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 4e95d564dc8b93fbe830018d2f295f3f69a70dfd←73d047af557657f86461da20552c8bdccce523b8 Update Conda setup ---------------- Merge commit message: remove conda `defaults` and add `conda-forge` channel

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Test: mac.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release

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branch: rosetta:commits 「№20612」
Commited by: David Johnson
GitHub Pull Request link: 「№221」
Merge: 「d1d7693ff」← 「992a4006a」  code diff
Scheduled at: 2024-11-12 15:59:42.696449
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 №221 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/glycan-connection-debug Merge: d1d7693ff7c1d8c282106c6daaed09d0aef9e291←992a4006af3b4c10ba9d1dbfeb8cadcda5b5efb4 Bugfix for RosettaCM and branched glycans ---------------- Merge commit message: Beautification to fix indentations

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Test: ubuntu.gcc.code_quality.merge_size

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Test: mac.clang.python39.integration

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code_template_tests_src


branch: rosetta:commits 「№20611」
Commited by: Andrew Muenks
GitHub Pull Request link: 「№227」
Merge: 「948824176」← 「640b5e373」  code diff
Scheduled at: 2024-11-12 12:03:29.306161
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 №227 RosettaCommons/rosetta/main ← agmuenks/rosetta/ligand_density_id Merge: 9488241768c837909eeb29965b890f877beed822←640b5e37377470ecd3c95abd9488d0165bd9ffed Ligand identification in cryoEM maps with GALigandDock ---------------- Merge commit message: beautification

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Test: ubuntu.gcc.code_quality.merge_size

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking


branch: rosetta:commits 「№20610」
Commited by: Andrew Muenks
GitHub Pull Request link: 「№227」
Merge: 「948824176」← 「0b5da92b7」  code diff
Scheduled at: 2024-11-12 10:28:26.435039
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 №227 RosettaCommons/rosetta/main ← agmuenks/rosetta/ligand_density_id Merge: 9488241768c837909eeb29965b890f877beed822←0b5da92b7c24a3daa1345dd6389760a480c3e82c Ligand identification in cryoEM maps with GALigandDock ---------------- Merge commit message: made exception in sim_cryo more general

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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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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking


branch: rosetta:commits 「№20609」
Commited by: Sergey Lyskov
GitHub commit link: 「9488241768c83790」
Difference from previous tested commit:  code diff
Commit date: 2024-10-28 16:44:49
integration.mpi integration.release_debug_with_symbols integration

increase default unit-test-timeout to 8min (#224)

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Test: linux.gcc.mpi.serialization.integration.mpi

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

Failed sub-tests (click for more details):
code_template_tests_src
Test: mac.clang.python39.integration

Failed sub-tests (click for more details):
code_template_tests_src


branch: rosetta:commits 「№20608」
Commited by: Andrew Muenks
GitHub Pull Request link: 「№227」
Merge: 「948824176」← 「706e45c69」  code diff
Scheduled at: 2024-11-11 16:31:53.871199
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 №227 RosettaCommons/rosetta/main ← agmuenks/rosetta/ligand_density_id Merge: 9488241768c837909eeb29965b890f877beed822←706e45c692667699f55e221d338de527866a1914 Ligand identification in cryoEM maps with GALigandDock ---------------- Merge commit message: beautification

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Test: ubuntu.gcc.code_quality.merge_size

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking


branch: rosetta:commits 「№20607」
Commited by: Andrew Muenks
GitHub commit link: 「74e7559830396a9c」
Difference from previous tested commit:  code diff
Commit date: 2024-11-10 01:28:04
code_quality.beautify

moved writeStarFile to sim_cryo.cc. Removed StarFile.hh because it was no longer being used

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branch: rosetta:commits 「№20606」
Commited by: Andrew Muenks
GitHub Pull Request link: 「№227」
Merge: 「948824176」← 「74e755983」  code diff
Scheduled at: 2024-11-09 20:37:49.488531
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 №227 RosettaCommons/rosetta/main ← agmuenks/rosetta/ligand_density_id Merge: 9488241768c837909eeb29965b890f877beed822←74e7559830396a9cb4ea4cf1cc06692ce8e92c63 Ligand identification in cryoEM maps with GALigandDock ---------------- Merge commit message: moved writeStarFile to sim_cryo.cc. Removed StarFile.hh because it was no longer being used

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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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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking


branch: rosetta:commits 「№20605」
Commited by: Andrew Muenks
GitHub Pull Request link: 「№227」
Merge: 「948824176」← 「f53918132」  code diff
Scheduled at: 2024-11-08 17:57:37.324913
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 №227 RosettaCommons/rosetta/main ← agmuenks/rosetta/ligand_density_id Merge: 9488241768c837909eeb29965b890f877beed822←f53918132fa681efdd3e04f2cdf8ccdd6c2ae997 Ligand identification in cryoEM maps with GALigandDock ---------------- Merge commit message: change pi in sim_cryo and added explicit copy constructor in StarFile for integration

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Test: mac.clang.python38.PyRosetta.unit

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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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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking
Test: ubuntu.clang.python312.scripts.pyrosetta

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Test: windows.cl.windows.build.debug

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branch: rosetta:commits 「№20604」
Commited by: Jack Maguire
GitHub Pull Request link: 「№233」
Merge: 「948824176」← 「cffc584c5」  code diff
Scheduled at: 2024-11-08 16:45:47.254700
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit ubuntu-20.04.clang.python39.PyRosetta.unit ubuntu-22.04.clang.python39.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit ubuntu.clang.python310.PyRosetta.unit ubuntu.gcc.python312.PyRosetta.unit ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit

Pull Request №233 RosettaCommons/rosetta/main ← JackMaguire/rosetta_not_sele_pr/shadowing Merge: 9488241768c837909eeb29965b890f877beed822←cffc584c55b5dbecd306ddc97d555a231aaea3f1 Decreasing the number of dynamically shadowed bindings ---------------- Merge commit message: Update T003_ParentalShadowing.py

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Test: gcc-9.gcc.python37.PyRosetta.unit

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Test: m1.clang.python38.PyRosetta.unit

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T003_ParentalShadowing
Test: m1.clang.python39.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: mac.clang.python310.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: mac.clang.python38.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: mac.clang.python39.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: ubuntu-20.04.clang.python39.PyRosetta.unit

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Test: ubuntu-22.04.clang.python39.PyRosetta.unit

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T003_ParentalShadowing
Test: ubuntu.clang.python310.PyRosetta.unit

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Test: ubuntu.gcc.python312.PyRosetta.unit

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branch: rosetta:commits 「№20603」
Commited by: Andrew Muenks
GitHub Pull Request link: 「№227」
Merge: 「948824176」← 「b926c289b」  code diff
Scheduled at: 2024-11-08 15:15:22.846686
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 №227 RosettaCommons/rosetta/main ← agmuenks/rosetta/ligand_density_id Merge: 9488241768c837909eeb29965b890f877beed822←b926c289b5fe2e47ab03a7666c103bc28b7f9fe8 Ligand identification in cryoEM maps with GALigandDock ---------------- Merge commit message: Removed unused variables

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Test: mac.clang.python38.PyRosetta.unit

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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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Test: linux.gcc.mpi.serialization.integration.mpi

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

Failed sub-tests (click for more details):
tensorflow_manager
Test: ubuntu.clang.python312.scripts.pyrosetta

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Test: windows.cl.windows.build.debug

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branch: rosetta:commits 「№20602」
Commited by: Andrew Muenks
GitHub Pull Request link: 「№227」
Merge: 「948824176」← 「7183b6af5」  code diff
Scheduled at: 2024-11-08 14:44:06.878497
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 №227 RosettaCommons/rosetta/main ← agmuenks/rosetta/ligand_density_id Merge: 9488241768c837909eeb29965b890f877beed822←7183b6af59f024f0945af826df3c1ab856201327 Ligand identification in cryoEM maps with GALigandDock ---------------- Merge commit message: Added integration tests for blob finder and sim_cryo

Rosetta Benchmark 2 weeks
Tests for this revision was automatically canceled because newer set of tests for pull-request №227 was submitted!
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Test: ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit

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Test: linux.clang.build.debug

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Test: linux.gcc.cxx11thread.serialization.build.debug

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Test: linux.gcc.mpi.build.debug

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Test: linux.gcc.mpi.serialization.build.debug

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Test: mac.clang.build.debug

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Test: linux.clang.build.ninja_debug

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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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Test: linux.gcc.mpi.serialization.integration.mpi

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

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Test: linux.gcc.cxx11thread.integration.thread

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Test: ubuntu.clang.python312.scripts.pyrosetta

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Test: linux.clang.unit

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Test: linux.gcc.cxx11thread.serialization.unit

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Test: linux.gcc.unit

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Test: mac.clang.unit

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Test: windows.cl.windows.build.debug

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branch: rosetta:commits 「№20601」
Commited by: Jack Maguire
GitHub Pull Request link: 「№233」
Merge: 「948824176」← 「4e88b35ad」  code diff
Scheduled at: 2024-11-08 10:02:22.444123
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit ubuntu-20.04.clang.python39.PyRosetta.unit ubuntu-22.04.clang.python39.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit ubuntu.clang.python310.PyRosetta.unit ubuntu.gcc.python312.PyRosetta.unit ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit

Pull Request №233 RosettaCommons/rosetta/main ← JackMaguire/rosetta_not_sele_pr/shadowing Merge: 9488241768c837909eeb29965b890f877beed822←4e88b35ade7cc843234d3f627dea20f61beab035 Decreasing the number of dynamically shadowed bindings ---------------- Merge commit message: More in the green list

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Test: gcc-9.gcc.python37.PyRosetta.unit

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Test: m1.clang.python38.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: m1.clang.python39.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: mac.clang.python310.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: mac.clang.python38.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: mac.clang.python39.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: ubuntu-20.04.clang.python39.PyRosetta.unit

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Test: ubuntu-22.04.clang.python39.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: ubuntu.clang.python310.PyRosetta.unit

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Test: ubuntu.gcc.python312.PyRosetta.unit

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branch: rosetta:commits 「№20600」
Commited by: Jack Maguire
GitHub Pull Request link: 「№233」
Merge: 「948824176」← 「f19e10975」  code diff
Scheduled at: 2024-11-08 09:44:45.227650
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit ubuntu-20.04.clang.python39.PyRosetta.unit ubuntu-22.04.clang.python39.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit ubuntu.clang.python310.PyRosetta.unit ubuntu.gcc.python312.PyRosetta.unit ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit

Pull Request №233 RosettaCommons/rosetta/main ← JackMaguire/rosetta_not_sele_pr/shadowing Merge: 9488241768c837909eeb29965b890f877beed822←f19e1097538b329f89e27569670c005de743b2f2 Decreasing the number of dynamically shadowed bindings ---------------- Merge commit message: <class 'pyrosetta.rosetta.protocols.mean_field.jagged_array

Rosetta Benchmark 2 weeks
Tests for this revision was automatically canceled because newer set of tests for pull-request №233 was submitted!
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Test: gcc-9.gcc.python37.PyRosetta.unit

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Test: m1.clang.python38.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: m1.clang.python39.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: mac.clang.python310.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: mac.clang.python38.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: mac.clang.python39.PyRosetta.unit

Failed sub-tests (click for more details):
T003_ParentalShadowing
Test: ubuntu.clang.python310.PyRosetta.unit

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Test: ubuntu.gcc.python312.PyRosetta.unit

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