branch: master 「№61896」
Commited by: Sergey Lyskov
GitHub commit link: 「1ac1fd592cec4b6f」
Difference from previous tested commit:  code diff
Commit date: 2022-06-24 23:43:17
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python36.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static mac.clang.static.build.release beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.tutorials integration maintenance.documentation performance profile release.PyRosetta.Debug linux.clang.python37.release.PyRosetta.MinSizeRel linux.clang.python38.release.PyRosetta.MinSizeRel linux.clang.python39.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel ubuntu.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release ubuntu.clang.python37.release.PyRosetta.Release release.source scientific.abinitio_RosettaNMR_pcs.debug scientific.abinitio_RosettaNMR_pcs scientific.abinitio_RosettaNMR_rdc.debug scientific.antibody_grafting.debug scientific.antibody_grafting scientific.enzyme_design.debug scientific.fragments_picking.debug scientific.fragments_picking scientific.glycan_dock.debug scientific.ligand_docking scientific.loop_modeling_kic_12res.debug scientific.loop_modeling_kic_fragments_12res.debug scientific.loop_modeling_kic_fragments_12res scientific.make_fragments.debug scientific.make_fragments scientific.mp_f19_decoy_discrimination.debug scientific.mp_f19_decoy_discrimination scientific.mp_f19_tilt_angle.debug scientific.mp_f19_tilt_angle scientific.peptide_pnear_vs_ic50.debug scientific.relax_fast scientific.rna_denovo_favorites scientific.sb_ligand_docking.debug scientific.sb_ref2015_loop_modeling_ccd_12res.debug scientific.sb_ref2015_loop_modeling_ccd_12res scientific.sb_ref2015_loop_modeling_kic_12res.debug scientific.sb_ref2015_loop_modeling_kic_12res scientific.sb_ref2015_loop_modeling_kic_fragments_12res.debug scientific.sb_ref2015_loop_modeling_kic_fragments_12res scientific.sb_ref2015_loop_modeling_ngk_12res.debug scientific.sb_ref2015_loop_modeling_ngk_12res scientific.sb_ref2015_relax_cartesian.debug scientific.sb_ref2015_relax_cartesian scientific.sb_ref2015_relax_fast.debug scientific.sb_ref2015_relax_fast_5iter.debug scientific.sb_ref2015_relax_fast_5iter scientific.sb_ref2015_relax_fast scientific.sb_score12_loop_modeling_ccd_12res.debug scientific.sb_score12_loop_modeling_ccd_12res scientific.sb_score12_loop_modeling_kic_12res.debug scientific.sb_score12_loop_modeling_kic_12res scientific.sb_score12_relax_cartesian.debug scientific.sb_score12_relax_fast.debug scientific.sb_score12_relax_fast_5iter.debug scientific.sb_talaris13_loop_modeling_ccd_12res.debug scientific.sb_talaris13_loop_modeling_kic_12res.debug scientific.sb_talaris13_loop_modeling_kic_fragments_12res.debug scientific.sb_talaris13_loop_modeling_ngk_12res.debug scientific.sb_talaris13_relax_cartesian.debug scientific.sb_talaris13_relax_fast.debug scientific.sb_talaris13_relax_fast_5iter.debug scientific.sb_talaris14_loop_modeling_ccd_12res.debug scientific.sb_talaris14_loop_modeling_kic_12res.debug scientific.sb_talaris14_loop_modeling_kic_fragments_12res.debug scientific.sb_talaris14_loop_modeling_ngk_12res.debug scientific.sb_talaris14_relax_cartesian.debug scientific.sb_talaris14_relax_fast.debug scientific.sb_talaris14_relax_fast_5iter.debug scientific.sewing scientific.simple_cycpep_predict.debug scientific.simple_cycpep_predict 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 mac.clang.unit.release unit.ubsan gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit m1.clang.python39.unit util.apps windows.build.debug windows.build.release

fixing source and Conda releases

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Test: linux.clang.integration.tutorials

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

Failed sub-tests (click for more details):
match_xml
Test: linux.clang.scientific.make_fragments.debug

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Test: linux.clang.scientific.make_fragments

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Test: linux.clang.scientific.mp_f19_decoy_discrimination.debug

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Test: linux.clang.scientific.mp_f19_decoy_discrimination

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Test: linux.clang.scientific.mp_f19_tilt_angle

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Test: linux.gcc.cxx11thread.mpi.serialization.scientific.peptide_pnear_vs_ic50.debug

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branch: master 「№61895」
Commited by: AJ Vincelli
GitHub commit link: 「23bdaa158c61e91e」 「№6046」
Difference from previous tested commit:  code diff
Commit date: 2022-06-23 23:09:30
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python36.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.addsan integration.mpi integration.release_debug integration.tensorflow integration.thread integration maintenance.documentation performance profile m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release release.source scientific.peptide_pnear_vs_ic50.debug 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 mac.clang.unit.release gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit m1.clang.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #6046 from RosettaCommons/AJVincelli-UpdateReferenceResults Update Reference Results



branch: master 「№61894」
Commited by: Oanh Vu
GitHub commit link: 「c7472ab4a932afd9」 「№6061」
Difference from previous tested commit:  code diff
Commit date: 2022-06-23 12:36:07
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python36.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration maintenance.documentation performance profile m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.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 mac.clang.unit.release gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit m1.clang.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #6061 from RosettaCommons/oanhvu/molfile_to_params_polymer_test_fix Oanhvu/molfile to params polymer test fix



branch: master 「№61893」
Commited by: Ameya Harmalkar
GitHub commit link: 「787b049cb34e4693」 「№6056」
Difference from previous tested commit:  code diff
Commit date: 2022-06-21 14:53:48
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python36.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.addsan integration.mpi integration.release_debug integration.tensorflow integration.thread integration maintenance.documentation performance profile m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release release.source scientific.FlexPepDock.debug scientific.FlexPepDock scientific.RosettaCM.debug scientific.RosettaCM scientific.abinitio_RosettaNMR_rdc scientific.antibody_h3_modeling scientific.ddg_ala_scan.debug scientific.ddg_ala_scan scientific.design_fast scientific.docking.debug scientific.docking scientific.glycan_dock scientific.glycan_structure_prediction.debug scientific.ligand_docking.debug scientific.loop_modeling_ccd_12res.debug scientific.loop_modeling_kic_12res scientific.loop_modeling_ngk_12res scientific.mhc_epitope_energy.debug scientific.mhc_epitope_energy scientific.mp_domain_assembly.debug scientific.mp_domain_assembly scientific.mp_f19_ddG_of_mutation.debug scientific.mp_f19_ddG_of_mutation scientific.mp_f19_sequence_recovery scientific.mp_f19_tilt_angle scientific.mp_lipid_acc scientific.mp_symdock.debug scientific.mp_symdock scientific.peptide_pnear_vs_ic50.debug scientific.peptide_pnear_vs_ic50 scientific.protein_data_bank_diagnostic.cif scientific.protein_data_bank_diagnostic.full 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 mac.clang.unit.release gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit m1.clang.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #6056 from RosettaCommons/AmeyaHarmalkar/replica_docking_tests Fixes issues in replica_docking evaluation metrics and adds new integration test

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Test: linux.clang.scientific.mp_f19_ddG_of_mutation.debug

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Test: linux.clang.scientific.mp_f19_tilt_angle

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branch: master 「№61892」
Commited by: Steven Lewis
GitHub commit link: 「c55c9eac6e71f950」 「№6057」
Difference from previous tested commit:  code diff
Commit date: 2022-06-21 13:28:11
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python36.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.addsan integration.mpi integration.release_debug integration.tensorflow integration.thread integration performance profile release.source scientific.mp_f19_ddG_of_mutation.debug scientific.mp_f19_tilt_angle 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 mac.clang.unit.release gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit m1.clang.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #6057 from CyrusBiotechnology/smlewis/bfrenz_ref_fix_second_attempt From @BrandonFrenz : fixed a bug Chris Moth [unsure how to @] found where cartesian ddg was not exiting on convergence because the data storage object was not passed by reference



branch: master 「№61891」
Commited by: Benjamin P. Brown
GitHub commit link: 「646d8fecf772071c」 「№5680」
Difference from previous tested commit:  code diff
Commit date: 2022-06-21 12:17:48
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python36.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.addsan integration.mpi integration.release_debug integration.tensorflow integration.thread integration performance profile release.source scientific.mp_f19_ddG_of_mutation.debug scientific.mp_f19_tilt_angle 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 mac.clang.unit.release gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit m1.clang.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #5680 from RosettaCommons/vuoanh/molfile_polymer_updates Updating script for non-canonical amino acid parameter generation



branch: master 「№61890」
Commited by: Labonte
GitHub commit link: 「fea3b28da4fc69b5」 「№5835」
Difference from previous tested commit:  code diff
Commit date: 2022-06-15 11:44:20
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python36.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration maintenance.documentation performance profile m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release release.source scientific.abinitio_RosettaNMR_pcs scientific.antibody_h3_modeling.debug scientific.antibody_snugdock.debug scientific.antibody_snugdock scientific.cofactor_binding_sites.debug scientific.cofactor_binding_sites scientific.design_fast.debug scientific.docking_ensemble.debug scientific.docking_ensemble scientific.enzyme_design.debug scientific.enzyme_design scientific.glycan_structure_prediction scientific.ligand_scoring_ranking.debug scientific.ligand_scoring_ranking scientific.loop_modeling_ccd_12res scientific.loop_modeling_kic_12res.debug scientific.loop_modeling_ngk_12res.debug scientific.mp_dock.debug scientific.mp_dock scientific.mp_f19_sequence_recovery.debug scientific.mp_lipid_acc.debug scientific.mp_relax.debug scientific.mp_relax scientific.relax_cartesian.debug scientific.relax_cartesian scientific.relax_fast.debug scientific.relax_fast_5iter.debug scientific.relax_fast_5iter scientific.relax_fast scientific.rna_denovo_favorites.debug scientific.sewing.debug scientific.sewing scientific.stepwise_rna_favorites.debug scientific.stepwise_rna_favorites 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 mac.clang.unit.release gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit m1.clang.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #5835 from RosettaCommons/sherilynlim03/butyryl_sugars This code will add an acylation patch (butyryl) to the database for carbohydrates, which will allow for further expansion with other small-chain acylations in the future. All unit tests pass; integration test changes are as expected.



branch: master 「№61889」
Commited by: Yang Hsia
GitHub commit link: 「2940c930be00b01a」 「№6050」
Difference from previous tested commit:  code diff
Commit date: 2022-06-14 14:55:49
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python36.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration maintenance.documentation performance profile m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release release.source scientific.abinitio_RosettaNMR_pcs.debug scientific.abinitio_RosettaNMR_rdc.debug scientific.glycan_dock.debug scientific.ligand_docking scientific.mp_f19_ddG_of_mutation.debug scientific.mp_f19_tilt_angle.debug scientific.mp_f19_tilt_angle scientific.peptide_pnear_vs_ic50.debug scientific.rna_denovo_favorites 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 mac.clang.unit.release gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit m1.clang.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #6050 from RosettaCommons/yhsia/slice_selector_bugfix bugfix for SliceResidueSelector (oob_mode option variable)



branch: master 「№61888」
Commited by: AJ Vincelli
GitHub commit link: 「676cfbcf4fbb3fd6」 「№6044」
Difference from previous tested commit:  code diff
Commit date: 2022-06-10 14:51:47
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python36.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration maintenance.documentation performance profile m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release release.source scientific.fragments_picking.debug scientific.loop_modeling_kic_fragments_12res.debug scientific.loop_modeling_kic_fragments_12res scientific.mp_f19_decoy_discrimination.debug scientific.mp_f19_decoy_discrimination scientific.simple_cycpep_predict.debug scientific.simple_cycpep_predict 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 mac.clang.unit.release gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit m1.clang.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #6044 from RosettaCommons/AJVincelli-update_CCD Update the CCD files as of June 4th 2022

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Test: linux.clang.tensorflow.integration.tensorflow

Failed sub-tests (click for more details):
database_md5
Test: linux.gcc.cxx11thread.integration.thread

Failed sub-tests (click for more details):
database_md5
Test: mac.clang.python39.integration

Failed sub-tests (click for more details):
database_md5 match_xml
Test: linux.clang.scientific.mp_f19_decoy_discrimination.debug

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Test: linux.clang.scientific.mp_f19_decoy_discrimination

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branch: master 「№61887」
Commited by: Ajasja Ljubetič
GitHub commit link: 「f1e0f6d7bf74728d」 「№6033」
Difference from previous tested commit:  code diff
Commit date: 2022-06-09 10:58:25
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python36.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration maintenance.documentation performance profile mac.clang.python37.release.PyRosetta.Debug mac.clang.python38.release.PyRosetta.Debug m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel mac.clang.python36.release.PyRosetta.MinSizeRel mac.clang.python37.release.PyRosetta.MinSizeRel mac.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release mac.clang.python36.release.PyRosetta.Release mac.clang.python37.release.PyRosetta.Release release.source scientific.make_fragments.debug scientific.make_fragments 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 mac.clang.unit.release gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit m1.clang.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #6033 from RosettaCommons/ajasja/fix_antibody use_epitope_constraints_ was not properly set

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Test: linux.clang.integration.release_debug_no_symbols

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

Failed sub-tests (click for more details):
match_xml
Test: linux.clang.scientific.make_fragments.debug

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Test: linux.clang.scientific.make_fragments

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branch: master 「№61886」
Commited by: Odessa Goudy
GitHub commit link: 「4370cd8be5360703」 「№5947」
Difference from previous tested commit:  code diff
Commit date: 2022-06-09 09:47:29
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python36.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread 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 mac.clang.unit.release gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit m1.clang.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #5947 from RosettaCommons/odaunc/sixdofsampler Odaunc/sixdofsampler



branch: master 「№61885」
Commited by: Sergey Lyskov
GitHub commit link: 「6e9d6acf0d847c9b」
Difference from previous tested commit:  code diff
Commit date: 2022-06-05 10:37:48
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python36.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size <