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branch: master 「№60232」
Commited by: Hahnbeom Park
GitHub commit link: 「1d0cc3eb6f10af8b」 「№3224」
Difference from previous tested commit:  code diff
Commit date: 2018-05-25 15:25:42
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static mac.clang.static.build.release linux.ui mac.ui beautification code_quality.clang_analysis serialization integration.mpi integration.release_debug integration.tutorials integration.valgrind integration maintenance.documentation performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python35.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.Debug linux.clang.python27.release.PyRosetta4.MinSizeRel linux.clang.python35.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python35.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release release.source linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release

Merge pull request #3224 from RosettaCommons/hahnbeom/iterhyb_update Hahnbeom/iterhyb update

...
Test: linux.clang.code_quality.clang_analysis

Failed sub-tests (click for more details):
src/apps/public/sewing/ligand_sewing_tools/metal_site_finder.cc src/core/optimization/Minimizer.cc src/core/scoring/constraints/ConstraintIO.cc src/core/select/residue_selector/SSElementSelector.cc src/protocols/denovo_design/components/SheetDB.cc src/protocols/docking/DockingLowRes.cc src/protocols/docking/DockingLowResEnsemble.cc src/protocols/enzdes/EnzdesFlexBBProtocol.cc src/protocols/enzdes/SecondaryMatchProtocol.cc src/protocols/enzdes/enzdes_util.cc src/protocols/forge/remodel/RemodelAccumulator.cc src/protocols/frag_picker/scores/PhiPsiRmsd.cc src/protocols/frags/TorsionFragment.cc src/protocols/hybridization/FragmentBiasAssigner.cc src/protocols/hybridization/TMalign.cc src/protocols/legacy_sewing/sampling/LegacyMonteCarloAssemblyMover.cc src/protocols/loop_grower/FragmentExtension.cc src/protocols/loop_grower/LoopGrower.cc src/protocols/loophash/LoopHashLibrary.cc src/protocols/loops/loop_mover/refine/LoopMover_KIC.cc src/protocols/loops/loops_main.cc src/protocols/membrane/OptimizeMembranePositionMover.cc src/protocols/metal_interface/FindClosestAtom.cc src/protocols/moves/MoverStatus.cc src/protocols/mpi_refinement/Clusterer.cc src/protocols/mpi_refinement/MPI_Refinement.cc src/protocols/mpi_refinement/MultiObjective.cc src/protocols/mpi_refinement/util.cc src/protocols/noesy_assign/PeakFileFormat.cc src/protocols/optimize_weights/IterativeOptEDriver.cc src/protocols/pockets/Fingerprint.cc src/protocols/pockets/PocketGrid.cc src/protocols/rna/movers/ErraserMinimizerMover.cc src/protocols/scoring/ImplicitFastClashCheck.cc src/protocols/seeded_abinitio/CoordinateCst.cc src/protocols/simple_filters/ResidueIEFilter.cc src/protocols/simple_filters/SheetFilter.cc src/protocols/simple_moves/AddCavitiesMover.cc src/protocols/simple_moves/TailsScoreMover.cc src/protocols/sparta/Sparta.cc src/protocols/task_operations/RestrictNonSurfaceToRepackingOperation.cc src/protocols/toolbox/DecoySetEvaluation.cc src/protocols/topology_broker/CoordConstraintClaimer.cc src/protocols/topology_broker/TopologyBroker.cc src/protocols/viewer/triangleIterator.cc src/utility/file/file_sys_util.cc src/utility/libsvm/Svm.cc test/core/conformation/UltraLightResidue.cxxtest.hh test/protocols/rosetta_scripts/RosettaScriptsJobQueen.cxxtest.hh
Test: linux.clang.performance

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


branch: master 「№60231」
Commited by: Sharon Guffy
GitHub commit link: 「1348d15fc464efe3」 「№3194」
Difference from previous tested commit:  code diff
Commit date: 2018-05-24 10:23:47
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static linux.ui mac.ui beautification code_quality.clang_analysis serialization integration.mpi integration.release_debug integration.tutorials integration maintenance.documentation performance profile release.source linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify unit.addsan linux.clang.unit.release linux.gcc.unit.release unit.ubsan

Merge pull request #3194 from RosettaCommons/revert-3192-guffysl/revert_sewing Revert "Reverting sewing merge to diagnose testing failures" See commit message for pull request #2923 for details. Broken unit and integration tests have been repaired. Changes to continuous_sewing_hasher and discontinuous_sewing_hasher integration tests expected due to new option namespacing.

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Test: linux.clang.code_quality.clang_analysis

Failed sub-tests (click for more details):
src/apps/public/sewing/ligand_sewing_tools/metal_site_finder.cc src/core/optimization/Minimizer.cc src/core/scoring/constraints/ConstraintIO.cc src/core/select/residue_selector/SSElementSelector.cc src/protocols/denovo_design/components/SheetDB.cc src/protocols/docking/DockingLowRes.cc src/protocols/docking/DockingLowResEnsemble.cc src/protocols/enzdes/EnzdesFlexBBProtocol.cc src/protocols/enzdes/SecondaryMatchProtocol.cc src/protocols/enzdes/enzdes_util.cc src/protocols/forge/remodel/RemodelAccumulator.cc src/protocols/frag_picker/scores/PhiPsiRmsd.cc src/protocols/frags/TorsionFragment.cc src/protocols/hybridization/FragmentBiasAssigner.cc src/protocols/hybridization/TMalign.cc src/protocols/legacy_sewing/sampling/LegacyMonteCarloAssemblyMover.cc src/protocols/loop_grower/FragmentExtension.cc src/protocols/loop_grower/LoopGrower.cc src/protocols/loophash/LoopHashLibrary.cc src/protocols/loops/loop_mover/refine/LoopMover_KIC.cc src/protocols/loops/loops_main.cc src/protocols/membrane/OptimizeMembranePositionMover.cc src/protocols/metal_interface/FindClosestAtom.cc src/protocols/moves/MoverStatus.cc src/protocols/mpi_refinement/Clusterer.cc src/protocols/mpi_refinement/MPI_Refinement.cc src/protocols/mpi_refinement/MultiObjective.cc src/protocols/mpi_refinement/util.cc src/protocols/noesy_assign/PeakFileFormat.cc src/protocols/optimize_weights/IterativeOptEDriver.cc src/protocols/pockets/Fingerprint.cc src/protocols/pockets/PocketGrid.cc src/protocols/rna/movers/ErraserMinimizerMover.cc src/protocols/scoring/ImplicitFastClashCheck.cc src/protocols/seeded_abinitio/CoordinateCst.cc src/protocols/simple_filters/ResidueIEFilter.cc src/protocols/simple_filters/SheetFilter.cc src/protocols/simple_moves/AddCavitiesMover.cc src/protocols/simple_moves/TailsScoreMover.cc src/protocols/sparta/Sparta.cc src/protocols/task_operations/RestrictNonSurfaceToRepackingOperation.cc src/protocols/toolbox/DecoySetEvaluation.cc src/protocols/topology_broker/CoordConstraintClaimer.cc src/protocols/topology_broker/TopologyBroker.cc src/protocols/viewer/triangleIterator.cc src/utility/file/file_sys_util.cc src/utility/libsvm/Svm.cc test/core/conformation/UltraLightResidue.cxxtest.hh test/protocols/rosetta_scripts/RosettaScriptsJobQueen.cxxtest.hh


branch: master 「№60230」
Commited by: Christine Kang
GitHub commit link: 「2678f85c0118c0ae」 「№3216」
Difference from previous tested commit:  code diff
Commit date: 2018-05-23 16:55:51
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static linux.ui mac.ui beautification code_quality.clang_analysis serialization integration.mpi integration.release_debug integration maintenance.documentation performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python35.release.PyRosetta4.Debug ubuntu.clang.python36.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python35.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python35.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release ubuntu.clang.python36.release.PyRosetta4.Release release.source linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release

Merge pull request #3216 from RosettaCommons/vmullig/add_octahedral_metals Add support for octahedrally-coordinated metals to the CrosslinkerMover and to the simple_cycpep_predict application

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Test: linux.clang.code_quality.clang_analysis

Failed sub-tests (click for more details):
src/core/optimization/Minimizer.cc src/core/scoring/constraints/ConstraintIO.cc src/core/select/residue_selector/SSElementSelector.cc src/protocols/denovo_design/components/SheetDB.cc src/protocols/docking/DockingLowRes.cc src/protocols/docking/DockingLowResEnsemble.cc src/protocols/enzdes/EnzdesFlexBBProtocol.cc src/protocols/enzdes/SecondaryMatchProtocol.cc src/protocols/enzdes/enzdes_util.cc src/protocols/forge/remodel/RemodelAccumulator.cc src/protocols/frag_picker/scores/PhiPsiRmsd.cc src/protocols/frags/TorsionFragment.cc src/protocols/hybridization/FragmentBiasAssigner.cc src/protocols/hybridization/TMalign.cc src/protocols/legacy_sewing/sampling/LegacyMonteCarloAssemblyMover.cc src/protocols/loop_grower/FragmentExtension.cc src/protocols/loop_grower/LoopGrower.cc src/protocols/loophash/LoopHashLibrary.cc src/protocols/loops/loop_mover/refine/LoopMover_KIC.cc src/protocols/loops/loops_main.cc src/protocols/membrane/OptimizeMembranePositionMover.cc src/protocols/metal_interface/FindClosestAtom.cc src/protocols/moves/MoverStatus.cc src/protocols/mpi_refinement/Clusterer.cc src/protocols/mpi_refinement/MPI_Refinement.cc src/protocols/mpi_refinement/MultiObjective.cc src/protocols/mpi_refinement/util.cc src/protocols/noesy_assign/PeakFileFormat.cc src/protocols/optimize_weights/IterativeOptEDriver.cc src/protocols/pockets/Fingerprint.cc src/protocols/pockets/PocketGrid.cc src/protocols/rna/movers/ErraserMinimizerMover.cc src/protocols/scoring/ImplicitFastClashCheck.cc src/protocols/seeded_abinitio/CoordinateCst.cc src/protocols/simple_filters/ResidueIEFilter.cc src/protocols/simple_filters/SheetFilter.cc src/protocols/simple_moves/AddCavitiesMover.cc src/protocols/simple_moves/TailsScoreMover.cc src/protocols/sparta/Sparta.cc src/protocols/task_operations/RestrictNonSurfaceToRepackingOperation.cc src/protocols/toolbox/DecoySetEvaluation.cc src/protocols/topology_broker/CoordConstraintClaimer.cc src/protocols/topology_broker/TopologyBroker.cc src/protocols/viewer/triangleIterator.cc src/utility/file/file_sys_util.cc src/utility/libsvm/Svm.cc test/core/conformation/UltraLightResidue.cxxtest.hh test/protocols/rosetta_scripts/RosettaScriptsJobQueen.cxxtest.hh


branch: master 「№60229」
Commited by: Rocco Moretti
GitHub commit link: 「c43896257b3c651e」 「№3219」
Difference from previous tested commit:  code diff
Commit date: 2018-05-21 11:38:38
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static mac.clang.static.build.release linux.ui mac.ui beautification code_quality.clang_analysis serialization integration.addsan integration.mpi integration.release_debug integration.tutorials integration maintenance.documentation performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python35.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.Debug mac.clang.python27.release.PyRosetta4.Debug mac.clang.python35.release.PyRosetta4.Debug mac.clang.python36.release.PyRosetta4.Debug ubuntu.clang.python27.release.PyRosetta4.Debug linux.clang.python27.release.PyRosetta4.MinSizeRel linux.clang.python35.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel mac.clang.python27.release.PyRosetta4.MinSizeRel mac.clang.python35.release.PyRosetta4.MinSizeRel mac.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python35.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python35.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release mac.clang.python27.release.PyRosetta4.Release mac.clang.python35.release.PyRosetta4.Release mac.clang.python36.release.PyRosetta4.Release ubuntu.clang.python27.release.PyRosetta4.Release ubuntu.clang.python35.release.PyRosetta4.Release ubuntu.clang.python36.release.PyRosetta4.Release release.source linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify unit.addsan linux.clang.unit.release linux.gcc.unit.release unit.ubsan unit.valgrind

Merge pull request #3219 from RosettaCommons/roccomoretti/clang6 Fix Clang 6.0 issues. Clang 6 has a 'private field is not used' warning (-Wunused-private-field) which was triggering in several places, causing Werror issues.

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Test: linux.clang.code_quality.clang_analysis

Failed sub-tests (click for more details):
src/core/optimization/Minimizer.cc src/core/scoring/constraints/ConstraintIO.cc src/core/select/residue_selector/SSElementSelector.cc src/protocols/cyclic_peptide/crosslinker/TBMB_Helper.cc src/protocols/cyclic_peptide/crosslinker/TMA_Helper.cc src/protocols/denovo_design/components/SheetDB.cc src/protocols/docking/DockingLowRes.cc src/protocols/docking/DockingLowResEnsemble.cc src/protocols/enzdes/EnzdesFlexBBProtocol.cc src/protocols/enzdes/SecondaryMatchProtocol.cc src/protocols/enzdes/enzdes_util.cc src/protocols/forge/remodel/RemodelAccumulator.cc src/protocols/frag_picker/scores/PhiPsiRmsd.cc src/protocols/frags/TorsionFragment.cc src/protocols/hybridization/FragmentBiasAssigner.cc src/protocols/hybridization/TMalign.cc src/protocols/legacy_sewing/sampling/LegacyMonteCarloAssemblyMover.cc src/protocols/loop_grower/FragmentExtension.cc src/protocols/loop_grower/LoopGrower.cc src/protocols/loophash/LoopHashLibrary.cc src/protocols/loops/loop_mover/refine/LoopMover_KIC.cc src/protocols/loops/loops_main.cc src/protocols/membrane/OptimizeMembranePositionMover.cc src/protocols/metal_interface/FindClosestAtom.cc src/protocols/moves/MoverStatus.cc src/protocols/mpi_refinement/Clusterer.cc src/protocols/mpi_refinement/MPI_Refinement.cc src/protocols/mpi_refinement/MultiObjective.cc src/protocols/mpi_refinement/util.cc src/protocols/noesy_assign/PeakFileFormat.cc src/protocols/optimize_weights/IterativeOptEDriver.cc src/protocols/pockets/Fingerprint.cc src/protocols/pockets/PocketGrid.cc src/protocols/rna/movers/ErraserMinimizerMover.cc src/protocols/scoring/ImplicitFastClashCheck.cc src/protocols/seeded_abinitio/CoordinateCst.cc src/protocols/simple_filters/ResidueIEFilter.cc src/protocols/simple_filters/SheetFilter.cc src/protocols/simple_moves/AddCavitiesMover.cc src/protocols/simple_moves/TailsScoreMover.cc src/protocols/sparta/Sparta.cc src/protocols/task_operations/RestrictNonSurfaceToRepackingOperation.cc src/protocols/toolbox/DecoySetEvaluation.cc src/protocols/topology_broker/CoordConstraintClaimer.cc src/protocols/topology_broker/TopologyBroker.cc src/protocols/viewer/triangleIterator.cc src/utility/file/file_sys_util.cc src/utility/libsvm/Svm.cc test/core/conformation/UltraLightResidue.cxxtest.hh test/protocols/rosetta_scripts/RosettaScriptsJobQueen.cxxtest.hh
Test: linux.clang.integration.tutorials

Failed sub-tests (click for more details):
advanced_protein-protein_docking
Test: linux.clang.performance

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


branch: master 「№60228」
Commited by: Jared Adolf-Bryfogle
GitHub commit link: 「6ce6fb3fe3ce8c15」 「№3214」
Difference from previous tested commit:  code diff
Commit date: 2018-05-18 12:51:17
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static mac.clang.static.build.release linux.ui mac.ui beautification code_quality.clang_analysis serialization integration.mpi integration.release_debug integration.tutorials integration.ubsan integration.valgrind integration maintenance.documentation performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python35.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.Debug mac.clang.python27.release.PyRosetta4.Debug mac.clang.python35.release.PyRosetta4.Debug mac.clang.python36.release.PyRosetta4.Debug ubuntu.clang.python35.release.PyRosetta4.Debug ubuntu.clang.python36.release.PyRosetta4.Debug linux.clang.python27.release.PyRosetta4.MinSizeRel linux.clang.python35.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel mac.clang.python27.release.PyRosetta4.MinSizeRel mac.clang.python35.release.PyRosetta4.MinSizeRel mac.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python35.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python35.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release mac.clang.python27.release.PyRosetta4.Release mac.clang.python35.release.PyRosetta4.Release mac.clang.python36.release.PyRosetta4.Release ubuntu.clang.python27.release.PyRosetta4.Release ubuntu.clang.python36.release.PyRosetta4.Release release.source linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify unit.addsan linux.clang.unit.release linux.gcc.unit.release unit.ubsan unit.valgrind

Merge pull request #3214 from RosettaCommons/jadolfbr/fix_xcode_project Fix Xcode Project Generation This PR updates the Xcode project generation, post-protocols.3 split. It also adds documentation for how to do it, from much trial-and-error. @weitzner and I will attempt an automated solution - but this is not trivial and will take some generous time to do.

...
Test: linux.clang.code_quality.clang_analysis

Failed sub-tests (click for more details):
src/core/optimization/Minimizer.cc src/core/scoring/constraints/ConstraintIO.cc src/core/select/residue_selector/SSElementSelector.cc src/protocols/cyclic_peptide/crosslinker/TBMB_Helper.cc src/protocols/cyclic_peptide/crosslinker/TMA_Helper.cc src/protocols/denovo_design/components/SheetDB.cc src/protocols/docking/DockingLowRes.cc src/protocols/docking/DockingLowResEnsemble.cc src/protocols/enzdes/EnzdesFlexBBProtocol.cc src/protocols/enzdes/SecondaryMatchProtocol.cc src/protocols/enzdes/enzdes_util.cc src/protocols/forge/remodel/RemodelAccumulator.cc src/protocols/frag_picker/scores/PhiPsiRmsd.cc src/protocols/frags/TorsionFragment.cc src/protocols/hybridization/FragmentBiasAssigner.cc src/protocols/hybridization/TMalign.cc src/protocols/legacy_sewing/sampling/LegacyMonteCarloAssemblyMover.cc src/protocols/loop_grower/FragmentExtension.cc src/protocols/loop_grower/LoopGrower.cc src/protocols/loophash/LoopHashLibrary.cc src/protocols/loops/loop_mover/refine/LoopMover_KIC.cc src/protocols/loops/loops_main.cc src/protocols/membrane/OptimizeMembranePositionMover.cc src/protocols/metal_interface/FindClosestAtom.cc src/protocols/moves/MoverStatus.cc src/protocols/mpi_refinement/Clusterer.cc src/protocols/mpi_refinement/MPI_Refinement.cc src/protocols/mpi_refinement/MultiObjective.cc src/protocols/mpi_refinement/util.cc src/protocols/noesy_assign/PeakFileFormat.cc src/protocols/optimize_weights/IterativeOptEDriver.cc src/protocols/pockets/Fingerprint.cc src/protocols/pockets/PocketGrid.cc src/protocols/rna/movers/ErraserMinimizerMover.cc src/protocols/scoring/ImplicitFastClashCheck.cc src/protocols/seeded_abinitio/CoordinateCst.cc src/protocols/simple_filters/ResidueIEFilter.cc src/protocols/simple_filters/SheetFilter.cc src/protocols/simple_moves/AddCavitiesMover.cc src/protocols/simple_moves/TailsScoreMover.cc src/protocols/sparta/Sparta.cc src/protocols/task_operations/RestrictNonSurfaceToRepackingOperation.cc src/protocols/toolbox/DecoySetEvaluation.cc src/protocols/topology_broker/CoordConstraintClaimer.cc src/protocols/topology_broker/TopologyBroker.cc src/protocols/viewer/triangleIterator.cc src/utility/file/file_sys_util.cc src/utility/libsvm/Svm.cc test/core/conformation/UltraLightResidue.cxxtest.hh test/protocols/rosetta_scripts/RosettaScriptsJobQueen.cxxtest.hh
Test: ubuntu.gcc.integration.ubsan

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

Failed sub-tests (click for more details):
AlterSpecDisruption
Test: linux.clang.performance

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


branch: master 「№60227」
Commited by: Christine Kang
GitHub commit link: 「1cdfc600cfe87cb1」 「№2521」
Difference from previous tested commit:  code diff
Commit date: 2018-05-16 18:13:34
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static mac.clang.static.build.release linux.ui mac.ui beautification code_quality.clang_analysis serialization integration.addsan integration.mpi integration.release_debug integration.tutorials integration.valgrind integration maintenance.documentation performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python35.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.Debug mac.clang.python27.release.PyRosetta4.Debug mac.clang.python35.release.PyRosetta4.Debug mac.clang.python36.release.PyRosetta4.Debug ubuntu.clang.python27.release.PyRosetta4.Debug linux.clang.python27.release.PyRosetta4.MinSizeRel linux.clang.python35.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel mac.clang.python27.release.PyRosetta4.MinSizeRel mac.clang.python35.release.PyRosetta4.MinSizeRel mac.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python35.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python35.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release mac.clang.python27.release.PyRosetta4.Release mac.clang.python35.release.PyRosetta4.Release mac.clang.python36.release.PyRosetta4.Release ubuntu.clang.python36.release.PyRosetta4.Release release.source linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release

Merge pull request #2521 from RosettaCommons/vmullig/add_metal_xlinks Allow the CrosslinkerMover to place tetrahedrally-coordinated metals

...
Test: linux.clang.code_quality.clang_analysis

Failed sub-tests (click for more details):
src/core/optimization/Minimizer.cc src/core/scoring/constraints/ConstraintIO.cc src/core/select/residue_selector/SSElementSelector.cc src/protocols/cyclic_peptide/crosslinker/TBMB_Helper.cc src/protocols/cyclic_peptide/crosslinker/TMA_Helper.cc src/protocols/denovo_design/components/SheetDB.cc src/protocols/docking/DockingLowRes.cc src/protocols/docking/DockingLowResEnsemble.cc src/protocols/enzdes/EnzdesFlexBBProtocol.cc src/protocols/enzdes/SecondaryMatchProtocol.cc src/protocols/enzdes/enzdes_util.cc src/protocols/forge/remodel/RemodelAccumulator.cc src/protocols/frag_picker/scores/PhiPsiRmsd.cc src/protocols/frags/TorsionFragment.cc src/protocols/hybridization/FragmentBiasAssigner.cc src/protocols/hybridization/TMalign.cc src/protocols/legacy_sewing/sampling/LegacyMonteCarloAssemblyMover.cc src/protocols/loop_grower/FragmentExtension.cc src/protocols/loop_grower/LoopGrower.cc src/protocols/loophash/LoopHashLibrary.cc src/protocols/loops/loop_mover/refine/LoopMover_KIC.cc src/protocols/loops/loops_main.cc src/protocols/membrane/OptimizeMembranePositionMover.cc src/protocols/metal_interface/FindClosestAtom.cc src/protocols/moves/MoverStatus.cc src/protocols/mpi_refinement/Clusterer.cc src/protocols/mpi_refinement/MPI_Refinement.cc src/protocols/mpi_refinement/MultiObjective.cc src/protocols/mpi_refinement/util.cc src/protocols/noesy_assign/PeakFileFormat.cc src/protocols/optimize_weights/IterativeOptEDriver.cc src/protocols/pockets/Fingerprint.cc src/protocols/pockets/PocketGrid.cc src/protocols/rna/movers/ErraserMinimizerMover.cc src/protocols/scoring/ImplicitFastClashCheck.cc src/protocols/seeded_abinitio/CoordinateCst.cc src/protocols/simple_filters/ResidueIEFilter.cc src/protocols/simple_filters/SheetFilter.cc src/protocols/simple_moves/AddCavitiesMover.cc src/protocols/simple_moves/TailsScoreMover.cc src/protocols/sparta/Sparta.cc src/protocols/task_operations/RestrictNonSurfaceToRepackingOperation.cc src/protocols/toolbox/DecoySetEvaluation.cc src/protocols/topology_broker/CoordConstraintClaimer.cc src/protocols/topology_broker/TopologyBroker.cc src/protocols/viewer/triangleIterator.cc src/utility/file/file_sys_util.cc src/utility/libsvm/Svm.cc test/core/conformation/UltraLightResidue.cxxtest.hh test/protocols/rosetta_scripts/RosettaScriptsJobQueen.cxxtest.hh
Test: linux.clang.performance

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


branch: master 「№60226」
Commited by: Sergey Lyskov
GitHub commit link: 「703f86c7a304bd70」 「№3217」
Difference from previous tested commit:  code diff
Commit date: 2018-05-16 13:25:47
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static linux.ui mac.ui beautification serialization integration.mpi integration.release_debug integration.tutorials integration performance profile release.PyRosetta4.Debug release.PyRosetta4.MinSizeRel release.PyRosetta4.Release release.source linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release

Merge pull request #3217 from RosettaCommons/sergey/binder Updating PyRosetta documentation generation procedure so undocumented C++ classes is also listed.

...


branch: master 「№60225」
Commited by: Sergey Lyskov
GitHub commit link: 「a5ecadc73f7b9b73」
Difference from previous tested commit:  code diff
Commit date: 2018-05-15 14:25:14
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static linux.ui mac.ui beautification code_quality.clang_analysis serialization integration.mpi integration.release_debug integration maintenance.documentation performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python35.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.Debug mac.clang.python27.release.PyRosetta4.Debug mac.clang.python36.release.PyRosetta4.Debug linux.clang.python27.release.PyRosetta4.MinSizeRel mac.clang.python35.release.PyRosetta4.MinSizeRel mac.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python35.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.Release mac.clang.python27.release.PyRosetta4.Release mac.clang.python35.release.PyRosetta4.Release ubuntu.clang.python27.release.PyRosetta4.Release ubuntu.clang.python36.release.PyRosetta4.Release release.source linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify unit.addsan linux.clang.unit.release linux.gcc.unit.release unit.ubsan unit.valgrind

adding PyMOL-RosettaServer.python3.py into PyRosetta package

Vikram K. Mulligan 2 weeks
Wow -- that's a lot of green!
...
Test: linux.clang.code_quality.clang_analysis

Failed sub-tests (click for more details):
src/core/optimization/Minimizer.cc src/core/scoring/constraints/ConstraintIO.cc src/core/select/residue_selector/SSElementSelector.cc src/protocols/cyclic_peptide/crosslinker/TBMB_Helper.cc src/protocols/cyclic_peptide/crosslinker/TMA_Helper.cc src/protocols/denovo_design/components/SheetDB.cc src/protocols/docking/DockingLowRes.cc src/protocols/docking/DockingLowResEnsemble.cc src/protocols/enzdes/EnzdesFlexBBProtocol.cc src/protocols/enzdes/SecondaryMatchProtocol.cc src/protocols/enzdes/enzdes_util.cc src/protocols/forge/remodel/RemodelAccumulator.cc src/protocols/frag_picker/scores/PhiPsiRmsd.cc src/protocols/frags/TorsionFragment.cc src/protocols/hybridization/FragmentBiasAssigner.cc src/protocols/hybridization/TMalign.cc src/protocols/legacy_sewing/sampling/LegacyMonteCarloAssemblyMover.cc src/protocols/loop_grower/FragmentExtension.cc src/protocols/loop_grower/LoopGrower.cc src/protocols/loophash/LoopHashLibrary.cc src/protocols/loops/loop_mover/refine/LoopMover_KIC.cc src/protocols/loops/loops_main.cc src/protocols/membrane/OptimizeMembranePositionMover.cc src/protocols/metal_interface/FindClosestAtom.cc src/protocols/moves/MoverStatus.cc src/protocols/mpi_refinement/Clusterer.cc src/protocols/mpi_refinement/MPI_Refinement.cc src/protocols/mpi_refinement/MultiObjective.cc src/protocols/mpi_refinement/util.cc src/protocols/noesy_assign/PeakFileFormat.cc src/protocols/optimize_weights/IterativeOptEDriver.cc src/protocols/pockets/Fingerprint.cc src/protocols/pockets/PocketGrid.cc src/protocols/rna/movers/ErraserMinimizerMover.cc src/protocols/scoring/ImplicitFastClashCheck.cc src/protocols/seeded_abinitio/CoordinateCst.cc src/protocols/simple_filters/ResidueIEFilter.cc src/protocols/simple_filters/SheetFilter.cc src/protocols/simple_moves/AddCavitiesMover.cc src/protocols/simple_moves/TailsScoreMover.cc src/protocols/sparta/Sparta.cc src/protocols/task_operations/RestrictNonSurfaceToRepackingOperation.cc src/protocols/toolbox/DecoySetEvaluation.cc src/protocols/topology_broker/CoordConstraintClaimer.cc src/protocols/topology_broker/TopologyBroker.cc src/protocols/viewer/triangleIterator.cc src/utility/file/file_sys_util.cc src/utility/libsvm/Svm.cc test/core/conformation/UltraLightResidue.cxxtest.hh test/protocols/rosetta_scripts/RosettaScriptsJobQueen.cxxtest.hh


branch: master 「№60224」
Commited by: Vikram K. Mulligan
GitHub commit link: 「c3cd4400490f8885」 「№3215」
Difference from previous tested commit:  code diff
Commit date: 2018-05-15 02:18:01
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static mac.clang.static.build.release linux.ui mac.ui beautification code_quality.clang_analysis serialization integration.mpi integration.release_debug integration.tutorials integration performance profile linux.clang.python35.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel mac.clang.python27.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python35.release.PyRosetta4.Release mac.clang.python36.release.PyRosetta4.Release release.source linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release

Merge pull request #3215 from RosettaCommons/vmullig/fix_lariat_filtering Fixing a little mistake affecting lariat structure prediction. I had some exclusion logic backwards for filtering. I meant to exclude the cyclization side-chain from Ramachandran filtering, but was actually excluding the terminus involved in the cyclization. Corrected. @stephen-rettie

...
Test: linux.clang.code_quality.clang_analysis

Failed sub-tests (click for more details):
src/core/optimization/Minimizer.cc src/core/scoring/constraints/ConstraintIO.cc src/core/select/residue_selector/SSElementSelector.cc src/protocols/cyclic_peptide/crosslinker/TBMB_Helper.cc src/protocols/cyclic_peptide/crosslinker/TMA_Helper.cc src/protocols/denovo_design/components/SheetDB.cc src/protocols/docking/DockingLowRes.cc src/protocols/docking/DockingLowResEnsemble.cc src/protocols/enzdes/EnzdesFlexBBProtocol.cc src/protocols/enzdes/SecondaryMatchProtocol.cc src/protocols/enzdes/enzdes_util.cc src/protocols/forge/remodel/RemodelAccumulator.cc src/protocols/frag_picker/scores/PhiPsiRmsd.cc src/protocols/frags/TorsionFragment.cc src/protocols/hybridization/FragmentBiasAssigner.cc src/protocols/hybridization/TMalign.cc src/protocols/legacy_sewing/sampling/LegacyMonteCarloAssemblyMover.cc src/protocols/loop_grower/FragmentExtension.cc src/protocols/loop_grower/LoopGrower.cc src/protocols/loophash/LoopHashLibrary.cc src/protocols/loops/loop_mover/refine/LoopMover_KIC.cc src/protocols/loops/loops_main.cc src/protocols/membrane/OptimizeMembranePositionMover.cc src/protocols/metal_interface/FindClosestAtom.cc src/protocols/moves/MoverStatus.cc src/protocols/mpi_refinement/Clusterer.cc src/protocols/mpi_refinement/MPI_Refinement.cc src/protocols/mpi_refinement/MultiObjective.cc src/protocols/mpi_refinement/util.cc src/protocols/noesy_assign/PeakFileFormat.cc src/protocols/optimize_weights/IterativeOptEDriver.cc src/protocols/pockets/Fingerprint.cc src/protocols/pockets/PocketGrid.cc src/protocols/rna/movers/ErraserMinimizerMover.cc src/protocols/scoring/ImplicitFastClashCheck.cc src/protocols/seeded_abinitio/CoordinateCst.cc src/protocols/simple_filters/ResidueIEFilter.cc src/protocols/simple_filters/SheetFilter.cc src/protocols/simple_moves/AddCavitiesMover.cc src/protocols/simple_moves/TailsScoreMover.cc src/protocols/sparta/Sparta.cc src/protocols/task_operations/RestrictNonSurfaceToRepackingOperation.cc src/protocols/toolbox/DecoySetEvaluation.cc src/protocols/topology_broker/CoordConstraintClaimer.cc src/protocols/topology_broker/TopologyBroker.cc src/protocols/viewer/triangleIterator.cc src/utility/file/file_sys_util.cc src/utility/libsvm/Svm.cc test/core/conformation/UltraLightResidue.cxxtest.hh test/protocols/rosetta_scripts/RosettaScriptsJobQueen.cxxtest.hh


branch: master 「№60223」
Commited by: Rocco Moretti
GitHub commit link: 「53cb5fadea609a18」 「№3132」
Difference from previous tested commit:  code diff
Commit date: 2018-05-14 17:39:32
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static linux.ui mac.ui beautification serialization integration.mpi integration.release_debug integration.tutorials integration maintenance.documentation performance profile release.PyRosetta4.MinSizeRel release.source linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release

Merge pull request #3132 from RosettaCommons/roccomoretti/nan_debugging Fix NaN issue in FastSaxsEnergy, with additional NaN/Inf checking elsewhere I spent a bit of time tracking down a NaN issue coming from the fastsaxs scoreterm. Add diagnostics to better report input file format failure cases. Also, add some helper functions to help do debugging for the source of NaN/Inf. Add a few judicious debug_asserts() to ScoreFunction, Minimizer and AtomTree to help catch NaN/Inf before the propagate too far.

...
Test: linux.gcc.code_quality.beautification

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Test: linux.clang.performance

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


branch: master 「№60222」
Commited by: Brahm Yachnin
GitHub commit link: 「b8ee03d276a19977」
Difference from previous tested commit:  code diff
Commit date: 2018-05-14 16:59:47
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static linux.ui mac.ui beautification serialization integration.mpi integration.release_debug integration performance profile release.source linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release

RosettaAI: Setting rosetta_scripts_scripts submodule to latest origin/master version.

...
Test: linux.gcc.code_quality.beautification

 View log

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branch: master 「№60221」
Commited by: Brian Coventry
GitHub commit link: 「6c434eb01fa9fd3b」 「№3201」
Difference from previous tested commit:  code diff
Commit date: 2018-05-14 15:31:11
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static linux.ui mac.ui beautification serialization integration.mpi integration.release_debug integration performance profile release.source linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release

Merge pull request #3201 from RosettaCommons/bcov/BuriedUnsatDdGStyleFix Adding ddG_style_dont_recalc_surface to BuriedUnsatisfiedHbondFilter

...
Test: linux.gcc.code_quality.beautification

 View log

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Test: linux.clang.integration.release_debug_no_symbols

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


branch: master 「№60220」
Commited by: Sergey Lyskov
GitHub commit link: 「44710f97b20e0d43」
Difference from previous tested commit:  code diff
Commit date: 2018-05-11 20:26:06
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static mac.clang.static.build.release linux.ui mac.ui beautification code_quality.clang_analysis serialization integration.mpi integration.release_debug integration.tutorials integration.valgrind integration performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python35.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.Debug mac.clang.python27.release.PyRosetta4.Debug mac.clang.python35.release.PyRosetta4.Debug mac.clang.python36.release.PyRosetta4.Debug linux.clang.python27.release.PyRosetta4.MinSizeRel linux.clang.python35.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel mac.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python35.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release ubuntu.clang.python27.release.PyRosetta4.Release ubuntu.clang.python35.release.PyRosetta4.Release linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release unit.valgrind

removing merge conflict markers that was accidentally committed into `master`

...
Test: linux.clang.code_quality.clang_analysis

Failed sub-tests (click for more details):
src/core/optimization/Minimizer.cc src/core/scoring/constraints/ConstraintIO.cc src/core/select/residue_selector/SSElementSelector.cc src/protocols/cyclic_peptide/crosslinker/TBMB_Helper.cc src/protocols/cyclic_peptide/crosslinker/TMA_Helper.cc src/protocols/denovo_design/components/SheetDB.cc src/protocols/docking/DockingLowRes.cc src/protocols/docking/DockingLowResEnsemble.cc src/protocols/enzdes/EnzdesFlexBBProtocol.cc src/protocols/enzdes/SecondaryMatchProtocol.cc src/protocols/enzdes/enzdes_util.cc src/protocols/forge/remodel/RemodelAccumulator.cc src/protocols/frag_picker/scores/PhiPsiRmsd.cc src/protocols/frags/TorsionFragment.cc src/protocols/hybridization/FragmentBiasAssigner.cc src/protocols/hybridization/TMalign.cc src/protocols/legacy_sewing/sampling/LegacyMonteCarloAssemblyMover.cc src/protocols/loop_grower/FragmentExtension.cc src/protocols/loop_grower/LoopGrower.cc src/protocols/loophash/LoopHashLibrary.cc src/protocols/loops/loop_mover/refine/LoopMover_KIC.cc src/protocols/loops/loops_main.cc src/protocols/membrane/OptimizeMembranePositionMover.cc src/protocols/metal_interface/FindClosestAtom.cc src/protocols/moves/MoverStatus.cc src/protocols/mpi_refinement/Clusterer.cc src/protocols/mpi_refinement/MPI_Refinement.cc src/protocols/mpi_refinement/MultiObjective.cc src/protocols/mpi_refinement/util.cc src/protocols/noesy_assign/PeakFileFormat.cc src/protocols/optimize_weights/IterativeOptEDriver.cc src/protocols/pockets/Fingerprint.cc src/protocols/pockets/PocketGrid.cc src/protocols/rna/movers/ErraserMinimizerMover.cc src/protocols/scoring/ImplicitFastClashCheck.cc src/protocols/seeded_abinitio/CoordinateCst.cc src/protocols/simple_filters/ResidueIEFilter.cc src/protocols/simple_filters/SheetFilter.cc src/protocols/simple_moves/AddCavitiesMover.cc src/protocols/simple_moves/TailsScoreMover.cc src/protocols/sparta/Sparta.cc src/protocols/task_operations/RestrictNonSurfaceToRepackingOperation.cc src/protocols/toolbox/DecoySetEvaluation.cc src/protocols/topology_broker/CoordConstraintClaimer.cc src/protocols/topology_broker/TopologyBroker.cc src/protocols/viewer/triangleIterator.cc src/utility/file/file_sys_util.cc src/utility/libsvm/Svm.cc test/core/conformation/UltraLightResidue.cxxtest.hh test/protocols/rosetta_scripts/RosettaScriptsJobQueen.cxxtest.hh
Test: linux.clang.integration.release_debug_no_symbols

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


branch: master 「№60219」
Commited by: Vikram K. Mulligan
GitHub commit link: 「b4f0cb7ce0243040」 「№3203」
Difference from previous tested commit:  code diff
Commit date: 2018-05-11 19:04:37
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static linux.ui mac.ui beautification serialization integration.mpi integration.release_debug integration performance profile linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release

Merge pull request #3203 from RosettaCommons/vmullig/fix_tailless_lariats Fix peptide structure prediction with tailless lariats Problem identified by @stephen-rettie and @deiblerk. Tasks: - [x] Diagnose the problem --> I'm mistakenly trying to randomize backbones of terminal residues. - [x] Integration test the problem. - [x] Fix the problem. - [x] Beauty. Also: - [x] This pull request is branched from #3202, and must be merged after that one.



branch: master 「№60218」
Commited by: Vikram K. Mulligan
GitHub commit link: 「91f27543620293b2」 「№3202」
Difference from previous tested commit:  code diff
Commit date: 2018-05-11 18:53:42
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static linux.ui mac.ui beautification serialization integration.mpi integration.release_debug integration performance profile linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release

Merge pull request #3202 from RosettaCommons/vmullig/fix_lariat_issue Fix an issue affecting correct placement of O and V1 atoms in isopeptide lariats There were a couple of spurious lines in a function that's intended to return connection atom IDs, and this was creating problems with the SidechainConjugation patch. (Come to think of it, this might have worked if we changed the order of patches, but I wanted a less fragile solution.) There was an additional function that I needed to write, too, to preserve backwards compatibility with the old ASX/GLX patches. This also updates a feature in GenKIC. Old behaviour: - You have a residue with two polymeric connections (1, 2) and a sidechain connection (3). - You apply a patch that removes polymeric connection 2. - Sidechain connection 3 is now connection 2. - Atoms whose internal coordinates depended on sidechain connection 3 still depend on sidechain connection 3. - The Residue::inter_residue_connection_partner() function would correct for this by checking whether a residue was an upper terminus or lower terminus type, and subtracting 1 from the connection ID if it was. This was fragile (especially since someone might query the ICOOR records from anywhere, not just from this function). New behaviour: - You have a residue with two polymeric connections (1, 2) and a sidechain connection (3). - You apply a patch that removes polymeric connection 2. - Sidechain connection 3 is now connection 2. - When the patch is applied, we iterate through all atoms and update all ICOORs that depended on connection IDs greater than 2, so that they depend on the N-1 connection ID now. - The ICOOR records for each atom are always correct, now, and the Residue::inter_residue_connection_partner() function doesn't do any silly -1 logic, now.

...
Test: linux.clang.performance

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


branch: master 「№60217」
Commited by: Vikram K. Mulligan
GitHub commit link: 「52cd055b1faeeb3f」 「№3204」
Difference from previous tested commit:  code diff
Commit date: 2018-05-11 18:52:38
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static linux.ui mac.ui beautification serialization integration.mpi integration.release_debug integration performance profile linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release

Merge pull request #3204 from RosettaCommons/vmullig/fix_app_exception_handling Fix the app_exception_handling integration test. Ensuring that make_motif_tables exits with error status when an exception is thrown.

...
Test: linux.clang.integration.release_debug_no_symbols

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

Failed sub-tests (click for more details):
app_exception_handling cluster_calibur
Test: linux.clang.performance

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


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