branch: master 「№62024」
Commited by: David P. Nannemann
GitHub commit link: 「24d4a35244f1f4b9」
Difference from previous tested commit:  code diff
Commit date: 2023-07-01 16:44:39
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.clang.python310.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python310.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 build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.build.debug gcc-9.gcc.build.debug icc.icc.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 mac.clang.bcl.build.debug OpenCL ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics gcc-10.gcc.build.release gcc-11.gcc.build.release gcc-9.gcc.build.release static mac.clang.static.build.release torch.gcc.pytorch.python39.build.release 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.tutorials integration.ubsan integration.valgrind integration performance profile linux.clang.python310.release.PyRosetta.Debug linux.clang.python311.release.PyRosetta.Debug linux.clang.python36.release.PyRosetta.Debug linux.clang.python37.release.PyRosetta.Debug linux.clang.python38.release.PyRosetta.Debug linux.clang.python39.release.PyRosetta.Debug linux.clang.python310.release.PyRosetta.MinSizeRel linux.clang.python311.release.PyRosetta.MinSizeRel linux.clang.python36.release.PyRosetta.MinSizeRel linux.clang.python37.release.PyRosetta.MinSizeRel linux.clang.python38.release.PyRosetta.MinSizeRel linux.clang.python39.release.PyRosetta.MinSizeRel m1.clang.python310.release.PyRosetta.MinSizeRel m1.clang.python311.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel mac.clang.python310.release.PyRosetta.MinSizeRel mac.clang.python311.release.PyRosetta.MinSizeRel mac.clang.python38.release.PyRosetta.MinSizeRel mac.clang.python39.release.PyRosetta.MinSizeRel ubuntu.clang.python310.release.PyRosetta.MinSizeRel ubuntu.clang.python311.release.PyRosetta.MinSizeRel ubuntu.clang.python36.release.PyRosetta.MinSizeRel ubuntu.clang.python37.release.PyRosetta.MinSizeRel ubuntu.clang.python38.release.PyRosetta.MinSizeRel ubuntu.clang.python39.release.PyRosetta.MinSizeRel linux.clang.python310.release.PyRosetta.Release linux.clang.python311.release.PyRosetta.Release linux.clang.python36.release.PyRosetta.Release linux.clang.python37.release.PyRosetta.Release linux.clang.python38.release.PyRosetta.Release linux.clang.python39.release.PyRosetta.Release m1.clang.python310.release.PyRosetta.Release m1.clang.python311.release.PyRosetta.Release m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release mac.clang.python310.release.PyRosetta.Release mac.clang.python311.release.PyRosetta.Release mac.clang.python38.release.PyRosetta.Release mac.clang.python39.release.PyRosetta.Release ubuntu.clang.python310.release.PyRosetta.Release ubuntu.clang.python311.release.PyRosetta.Release ubuntu.clang.python36.release.PyRosetta.Release ubuntu.clang.python37.release.PyRosetta.Release ubuntu.clang.python38.release.PyRosetta.Release ubuntu.clang.python39.release.PyRosetta.Release release.PyRosetta.conda.Release release.source scientific.antibody_grafting.debug scientific.antibody_grafting 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 unit.valgrind gcc-10.gcc.unit gcc-11.gcc.unit gcc-9.gcc.unit m1.clang.python39.unit ubuntu-20.04.clang.python39.unit ubuntu-20.04.gcc.python39.unit ubuntu-22.04.clang.python39.unit ubuntu-22.04.gcc.python39.unit util.apps windows.build.debug windows.build.release

Fixing FavorSequenceProfile to accept reference_name (#6407) * relatively surface-level changes to parse_my_tag and xml_schema to enable functionality already present. * Add reference_name to xml_schema * adding an integration test for FavorSequenceProfile inputs. Removing extra reference_name definition from provide_xml_schema()

...
Test: ubuntu.gcc.integration.addsan

Failed sub-tests (click for more details):
energy_based_clustering_alpha_aa_scorefile
Test: linux.gcc.mpi.serialization.integration.mpi

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

Failed sub-tests (click for more details):
Protein-Protein-Docking
Test: ubuntu.gcc.integration.ubsan

Failed sub-tests (click for more details):
energy_based_clustering_alpha_aa_scorefile
Test: linux.gcc.integration.valgrind

Failed sub-tests (click for more details):
energy_based_clustering_alpha_aa_scorefile
Test: mac.clang.python311.release.PyRosetta.MinSizeRel

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Test: mac.clang.python311.release.PyRosetta.Release

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Test: ubuntu.gcc.unit.addsan

Failed sub-tests (click for more details):
core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_dslf_fa13 core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_dun_dev core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_dun_semi core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_intra_atr_xover4 core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_intra_rep core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_intra_rep_xover4 core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_rep core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_lk_ball_bridge core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_lk_ball_bridge_uncpl core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_p_aa_pp core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_pro_close core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_rama_prepro core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_beta_nov16 core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_cart_bonded core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_dslf_fa13 core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_fa_atr core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_fa_dun_dev core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_fa_dun_rot core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_fa_dun_semi core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_fa_elec core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_fa_intra_atr_xover4 core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_fa_intra_elec core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_fa_intra_rep core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_fa_intra_rep_xover4 core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_fa_intra_sol_xover4 core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_fa_rep core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_fa_sol core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_hbonds core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_hxl_tors core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_lk_ball core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_lk_ball_bridge core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_lk_ball_bridge_uncpl core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_lk_ball_iso core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_omega core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_p_aa_pp core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_pro_close core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_rama core:CyclicGeometry_peptoid_beta_Tests:test_cyclic_permutation_rama_prepro protocols:AlignPDBInfoToSequencesTests:test_SequenceSpecification protocols:AlignPDBInfoToSequencesTests:test_ctor_and_operators protocols:AlignPDBInfoToSequencesTests:test_dna_align protocols:AlignPDBInfoToSequencesTests:test_mode_enum protocols:AlignPDBInfoToSequencesTests:test_multiple protocols:AlignPDBInfoToSequencesTests:test_parse_target_tag protocols:AlignPDBInfoToSequencesTests:test_real_example protocols:AlignPDBInfoToSequencesTests:test_set_modes protocols:AlignPDBInfoToSequencesTests:test_single protocols:AlignPDBInfoToSequencesTests:test_throw_on_fail protocols:MRSJobQueenTests:test_MRSJobQueen_with_good_input protocols:MRSJobQueenTests:test_incorrect_attribute_value protocols:MRSJobQueenTests:test_not_enough_job_results_for_next_node protocols:MRSJobQueenTests:test_tag_for_nonmover_nonfilter protocols:MRSJobQueenTests:test_typo_in_score_function


branch: master 「№62023」
Commited by: David P. Nannemann
GitHub commit link: 「76b79b34c0b944a4」
Difference from previous tested commit:  code diff
Commit date: 2023-07-01 16:42:58
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.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 performance profile scientific.ligand_scoring_ranking scientific.sb_talaris13_fast_design linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify unit.addsan util.apps windows.build.debug windows.build.release

changes XSD to describe that this selector is only functional with PROTEIN ResidueTypes. Does not alter code to check for appropriate types. (#6411)

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

Failed sub-tests (click for more details):
replica_docking
Test: ubuntu-20.04.clang.python36.scientific.ligand_scoring_ranking

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branch: master 「№62022」
Commited by: Rituparna Samanta
GitHub commit link: 「010564c584044eac」 「№6412」
Difference from previous tested commit:  code diff
Commit date: 2023-06-30 08:21:16
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.clang.python310.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python310.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 build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.build.debug gcc-9.gcc.build.debug icc.icc.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 mac.clang.bcl.build.debug OpenCL ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics gcc-10.gcc.build.release gcc-11.gcc.build.release gcc-9.gcc.build.release static mac.clang.static.build.release torch.gcc.pytorch.python39.build.release 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.tutorials integration.ubsan integration.valgrind integration performance profile linux.clang.python310.release.PyRosetta.Debug linux.clang.python311.release.PyRosetta.Debug linux.clang.python36.release.PyRosetta.Debug linux.clang.python37.release.PyRosetta.Debug linux.clang.python38.release.PyRosetta.Debug linux.clang.python39.release.PyRosetta.Debug linux.clang.python310.release.PyRosetta.MinSizeRel linux.clang.python311.release.PyRosetta.MinSizeRel linux.clang.python36.release.PyRosetta.MinSizeRel linux.clang.python37.release.PyRosetta.MinSizeRel linux.clang.python38.release.PyRosetta.MinSizeRel linux.clang.python39.release.PyRosetta.MinSizeRel m1.clang.python310.release.PyRosetta.MinSizeRel m1.clang.python311.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel mac.clang.python310.release.PyRosetta.MinSizeRel mac.clang.python311.release.PyRosetta.MinSizeRel mac.clang.python38.release.PyRosetta.MinSizeRel mac.clang.python39.release.PyRosetta.MinSizeRel ubuntu.clang.python310.release.PyRosetta.MinSizeRel ubuntu.clang.python311.release.PyRosetta.MinSizeRel ubuntu.clang.python36.release.PyRosetta.MinSizeRel ubuntu.clang.python37.release.PyRosetta.MinSizeRel ubuntu.clang.python38.release.PyRosetta.MinSizeRel ubuntu.clang.python39.release.PyRosetta.MinSizeRel linux.clang.python310.release.PyRosetta.Release linux.clang.python311.release.PyRosetta.Release linux.clang.python36.release.PyRosetta.Release linux.clang.python37.release.PyRosetta.Release linux.clang.python38.release.PyRosetta.Release linux.clang.python39.release.PyRosetta.Release m1.clang.python310.release.PyRosetta.Release m1.clang.python311.release.PyRosetta.Release m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release mac.clang.python310.release.PyRosetta.Release mac.clang.python311.release.PyRosetta.Release mac.clang.python38.release.PyRosetta.Release mac.clang.python39.release.PyRosetta.Release ubuntu.clang.python310.release.PyRosetta.Release ubuntu.clang.python311.release.PyRosetta.Release ubuntu.clang.python36.release.PyRosetta.Release ubuntu.clang.python37.release.PyRosetta.Release ubuntu.clang.python38.release.PyRosetta.Release ubuntu.clang.python39.release.PyRosetta.Release release.PyRosetta.conda.Release release.source scientific.RosettaCM scientific.abinitio_RosettaNMR_pcs.debug scientific.abinitio_RosettaNMR_pcs scientific.abinitio_RosettaNMR_rdc scientific.antibody_snugdock scientific.design_fast scientific.docking_ensemble scientific.docking scientific.fragments_picking.debug scientific.glycan_dock.debug scientific.glycan_dock scientific.ligand_scoring_ranking scientific.loop_modeling_kic_fragments_12res 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 unit.valgrind gcc-10.gcc.unit gcc-11.gcc.unit gcc-9.gcc.unit m1.clang.python39.unit ubuntu-20.04.clang.python39.unit ubuntu-20.04.gcc.python39.unit ubuntu-22.04.clang.python39.unit ubuntu-22.04.gcc.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #6412 from RosettaCommons/Rituparnasamanta/membrane_ensemble_docking_modify_int_test edits on the integration test of a previously closed PR

...
Test: ubuntu.gcc.integration.addsan

Failed sub-tests (click for more details):
energy_based_clustering_alpha_aa_scorefile
Test: linux.gcc.mpi.serialization.integration.mpi

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

Failed sub-tests (click for more details):
Protein-Protein-Docking
Test: ubuntu.gcc.integration.ubsan

Failed sub-tests (click for more details):
energy_based_clustering_alpha_aa_scorefile
Test: linux.gcc.integration.valgrind

Failed sub-tests (click for more details):
energy_based_clustering_alpha_aa_scorefile
Test: mac.clang.python311.release.PyRosetta.MinSizeRel

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Test: mac.clang.python311.release.PyRosetta.Release

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Test: ubuntu-20.04.clang.python36.scientific.antibody_snugdock

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Test: ubuntu-20.04.clang.python36.scientific.fragments_picking.debug

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Test: ubuntu-20.04.clang.python36.scientific.ligand_scoring_ranking

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branch: master 「№62021」
Commited by: Rocco Moretti
GitHub commit link: 「be92069389921d63」 「№6352」
Difference from previous tested commit:  code diff
Commit date: 2023-06-12 14:30:06
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.clang.python310.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python310.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 build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.build.debug gcc-9.gcc.build.debug icc.icc.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 mac.clang.bcl.build.debug OpenCL ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics gcc-10.gcc.build.release gcc-11.gcc.build.release gcc-9.gcc.build.release static mac.clang.static.build.release torch.gcc.pytorch.python39.build.release 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.tutorials integration.ubsan integration.valgrind integration performance profile linux.clang.python310.release.PyRosetta.Debug linux.clang.python311.release.PyRosetta.Debug linux.clang.python36.release.PyRosetta.Debug linux.clang.python37.release.PyRosetta.Debug linux.clang.python38.release.PyRosetta.Debug linux.clang.python39.release.PyRosetta.Debug linux.clang.python310.release.PyRosetta.MinSizeRel linux.clang.python311.release.PyRosetta.MinSizeRel linux.clang.python36.release.PyRosetta.MinSizeRel linux.clang.python37.release.PyRosetta.MinSizeRel linux.clang.python38.release.PyRosetta.MinSizeRel linux.clang.python39.release.PyRosetta.MinSizeRel m1.clang.python310.release.PyRosetta.MinSizeRel m1.clang.python311.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel mac.clang.python310.release.PyRosetta.MinSizeRel mac.clang.python311.release.PyRosetta.MinSizeRel mac.clang.python38.release.PyRosetta.MinSizeRel mac.clang.python39.release.PyRosetta.MinSizeRel ubuntu.clang.python310.release.PyRosetta.MinSizeRel ubuntu.clang.python311.release.PyRosetta.MinSizeRel ubuntu.clang.python36.release.PyRosetta.MinSizeRel ubuntu.clang.python37.release.PyRosetta.MinSizeRel ubuntu.clang.python38.release.PyRosetta.MinSizeRel ubuntu.clang.python39.release.PyRosetta.MinSizeRel linux.clang.python310.release.PyRosetta.Release linux.clang.python311.release.PyRosetta.Release linux.clang.python36.release.PyRosetta.Release linux.clang.python37.release.PyRosetta.Release linux.clang.python38.release.PyRosetta.Release linux.clang.python39.release.PyRosetta.Release m1.clang.python310.release.PyRosetta.Release m1.clang.python311.release.PyRosetta.Release m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release mac.clang.python310.release.PyRosetta.Release mac.clang.python311.release.PyRosetta.Release mac.clang.python38.release.PyRosetta.Release mac.clang.python39.release.PyRosetta.Release ubuntu.clang.python310.release.PyRosetta.Release ubuntu.clang.python311.release.PyRosetta.Release ubuntu.clang.python36.release.PyRosetta.Release ubuntu.clang.python37.release.PyRosetta.Release ubuntu.clang.python38.release.PyRosetta.Release ubuntu.clang.python39.release.PyRosetta.Release release.PyRosetta.conda.Release release.source scientific.FlexPepDock.debug scientific.FlexPepDock scientific.RosettaCM.debug scientific.RosettaCM scientific.abinitio_RosettaNMR_pcs.debug scientific.abinitio_RosettaNMR_pcs scientific.abinitio_RosettaNMR_rdc.debug scientific.abinitio_RosettaNMR_rdc scientific.antibody_grafting.debug scientific.antibody_grafting scientific.antibody_h3_modeling.debug scientific.antibody_h3_modeling scientific.antibody_snugdock.debug scientific.antibody_snugdock scientific.cofactor_binding_sites.debug scientific.cofactor_binding_sites scientific.ddg_ala_scan.debug scientific.ddg_ala_scan scientific.design_fast.debug scientific.design_fast scientific.docking.debug scientific.docking_ensemble.debug scientific.docking_ensemble scientific.docking scientific.enzyme_design.debug scientific.enzyme_design scientific.fragments_picking.debug scientific.fragments_picking scientific.glycan_dock.debug scientific.glycan_dock scientific.ligand_docking.debug scientific.ligand_docking scientific.ligand_scoring_ranking.debug scientific.ligand_scoring_ranking scientific.loop_modeling_ccd_12res.debug scientific.loop_modeling_ccd_12res scientific.loop_modeling_kic_12res.debug scientific.loop_modeling_kic_12res scientific.loop_modeling_kic_fragments_12res.debug scientific.loop_modeling_kic_fragments_12res scientific.loop_modeling_ngk_12res.debug scientific.loop_modeling_ngk_12res scientific.make_fragments.debug scientific.make_fragments scientific.mhc_epitope_energy.debug scientific.mhc_epitope_energy scientific.mp_dock.debug scientific.mp_dock 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_decoy_discrimination.debug scientific.mp_f19_decoy_discrimination scientific.mp_f19_sequence_recovery.debug scientific.mp_f19_sequence_recovery scientific.mp_f19_tilt_angle.debug scientific.mp_f19_tilt_angle scientific.mp_lipid_acc.debug scientific.mp_lipid_acc scientific.mp_relax.debug scientific.mp_relax 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 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.rna_denovo_favorites scientific.sewing.debug scientific.sewing scientific.simple_cycpep_predict.debug scientific.simple_cycpep_predict 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 unit.addsan linux.clang.unit.release linux.gcc.unit.release mac.clang.unit.release unit.ubsan unit.valgrind gcc-10.gcc.unit gcc-11.gcc.unit gcc-9.gcc.unit m1.clang.python39.unit ubuntu-20.04.clang.python39.unit ubuntu-20.04.gcc.python39.unit ubuntu-22.04.clang.python39.unit ubuntu-22.04.gcc.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #6352 from RosettaCommons/roccomoretti/quick_restyping Speed PDB loading by adding a Quick-and-Dirty ResidueTyping option. One of the major contributors to the speed of PDB loading is figuring out the ResidueTypes to use. PR #5659 fixes this somewhat, but it still contributes non-trivially. For most PDBs (e.g. simple all-protein ones), figuring out the ResidueTypes is straightforward. As such, I've implemented an alternative ResidueTyping scheme which can be enabled with the new command line option -fast_restyping (and the corresponding option on StructFileReaderOptions. The way it works is to assume that the three letter code in the PDB is equivalent to the full type name. This should work for the canonical amino acids and -extra_res_fa ligands. To support more inputs, there's some epicycles added. The primary one is a fix-up for terminus patching. There's also some special casing for HIS/HIS_D calling, as well as D-aa/DNA/RNA/VRT. We also use the HETNAM specification if that's helpful, as well as falling back to the chemical components dictionaries for most everything else. -- The HETNAM records go part of the way towards round-tripping (that is, being able to read any Rosetta-outputted PDB properly with the flag on), but are insufficient. Adding full ResidueType name annotations in the output would be necessary for full support, and that's a potential future direction if this flag seems useful for people. This approach is far from complete. In particular, most patching which happens due to the presence of atom names is missed (deliberately so). This is particularly an issue with carbohydrate-containing residues. The option is definitely not recommended for general use, though if you have "simple" PDBs (non-modified proteins, mostly), it should hopefully work for you. Caveat emptor, though. In my test set, the time needed for ResidueType loading (which takes ~33% of the total runtime with current master) is reduced by a factor of 10, and most of the remaining portion of that is actually CCD residue type loading or ResidueTypeFinder time.

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

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

Failed sub-tests (click for more details):
Protein-Protein-Docking
Test: mac.clang.python311.release.PyRosetta.MinSizeRel

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Test: mac.clang.python311.release.PyRosetta.Release

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Test: ubuntu-20.04.clang.python36.scientific.fragments_picking.debug

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Test: ubuntu-20.04.clang.python36.scientific.fragments_picking

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Test: ubuntu-20.04.clang.python36.scientific.ligand_scoring_ranking.debug

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Test: ubuntu-20.04.clang.python36.scientific.make_fragments.debug

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Test: ubuntu-20.04.clang.python36.scientific.make_fragments

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Test: ubuntu-20.04.clang.python36.scientific.mp_lipid_acc

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branch: master 「№62020」
Commited by: Rocco Moretti
GitHub commit link: 「6782069df68f44d7」 「№6343」
Difference from previous tested commit:  code diff
Commit date: 2023-06-12 14:28:26
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.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.valgrind integration performance profile scientific.ligand_scoring_ranking.debug linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Merge pull request #6343 from RosettaCommons/roccomoretti/avoid_atomtree_updates Speed up PDB loading by deferring AtomTree updates. Benchmarking indicates that ~10-15% of the time for PDB loading is due to AtomTree::update_sequence_numbering(), which is called for each residue addition. This is completely unnecessary, as we can just call setup_atom_tree() after we're all done adding the residues. To enable this we create a new Conformation function which takes a list of residues to append and does the addition all at once. A quick test shows we do save ~10-15% of the time with this approach, and as far as I can tell we don't lose anything by the rearrangement.



branch: master 「№62019」
Commited by: Rocco Moretti
GitHub commit link: 「ede1a5fd3fa9f7bc」 「№5659」
Difference from previous tested commit:  code diff
Commit date: 2023-06-12 14:27:18
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.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.valgrind integration performance profile scientific.ligand_scoring_ranking.debug scientific.sb_talaris13_fast_design linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Merge pull request #5659 from RosettaCommons/roccomoretti/speed_up_scoring Speed up PDB loading by improving the ResidueTypeFinder. Rosetta 3.13 is about 30% slower than Rosetta 3.12 when doing a plain rescoring of a large number of PDBs. I tracked that down to PDB file loading, specifically extra time in the ResidueTypeFinder, in large part due to patching. I was able to rearrange some things to reduce wasted effort and make things more efficient. I my hands, we're now about twice as fast as Rosetta 3.13 when doing plain re-scoring. It still looks like the ResidueTypeFinder is a substantial factor in the runtime (as measured by perf), but not necessarily in an easily fixable way.



branch: master 「№62018」
Commited by: Moritz Ertelt
GitHub commit link: 「9fbc647ae7024a22」 「№6313」
Difference from previous tested commit:  code diff
Commit date: 2023-06-12 09:45:27
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.clang.python310.PyRosetta.unit m1.clang.python310.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-22.04.clang.python39.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.build.debug gcc-9.gcc.build.debug icc.icc.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 mac.clang.bcl.build.debug OpenCL ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics gcc-10.gcc.build.release gcc-11.gcc.build.release gcc-9.gcc.build.release static mac.clang.static.build.release beautification 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.ubsan integration performance profile linux.clang.python310.release.PyRosetta.Debug linux.clang.python311.release.PyRosetta.Debug linux.clang.python36.release.PyRosetta.Debug linux.clang.python37.release.PyRosetta.Debug linux.clang.python38.release.PyRosetta.Debug m1.clang.python310.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel mac.clang.python38.release.PyRosetta.MinSizeRel mac.clang.python39.release.PyRosetta.MinSizeRel ubuntu.clang.python37.release.PyRosetta.MinSizeRel m1.clang.python310.release.PyRosetta.Release m1.clang.python311.release.PyRosetta.Release m1.clang.python38.release.PyRosetta.Release mac.clang.python310.release.PyRosetta.Release mac.clang.python311.release.PyRosetta.Release mac.clang.python38.release.PyRosetta.Release mac.clang.python39.release.PyRosetta.Release ubuntu.clang.python311.release.PyRosetta.Release release.PyRosetta.conda.Release release.source scientific.RosettaCM.debug scientific.antibody_h3_modeling scientific.antibody_snugdock.debug scientific.design_fast.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 unit.ubsan gcc-10.gcc.unit gcc-9.gcc.unit m1.clang.python39.unit ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit ubuntu-22.04.gcc.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #6313 from RosettaCommons/moritzertelt/predict_PTM Introduces a new PTMPredictionMetric which can be used for predicting post-translational modifications.

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Test: linux.gcc.cxx11thread.integration.thread

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

Failed sub-tests (click for more details):
Protein-Protein-Docking
Test: mac.clang.python311.release.PyRosetta.Release

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Test: ubuntu.clang.python311.release.PyRosetta.Release

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Test: ubuntu-20.04.clang.python36.scientific.make_fragments

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branch: master 「№62017」
Commited by: Eric Bell
GitHub commit link: 「5c0229034035d988」 「№6404」
Difference from previous tested commit:  code diff
Commit date: 2023-06-06 11:32:41
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.clang.python310.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python310.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 build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.build.debug gcc-9.gcc.build.debug icc.icc.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 mac.clang.bcl.build.debug OpenCL ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics gcc-10.gcc.build.release gcc-11.gcc.build.release gcc-9.gcc.build.release static mac.clang.static.build.release torch.gcc.pytorch.python39.build.release 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.tutorials integration.ubsan integration.valgrind integration performance profile linux.clang.python310.release.PyRosetta.Debug linux.clang.python311.release.PyRosetta.Debug linux.clang.python36.release.PyRosetta.Debug linux.clang.python37.release.PyRosetta.Debug linux.clang.python38.release.PyRosetta.Debug linux.clang.python39.release.PyRosetta.Debug linux.clang.python310.release.PyRosetta.MinSizeRel linux.clang.python311.release.PyRosetta.MinSizeRel linux.clang.python36.release.PyRosetta.MinSizeRel linux.clang.python37.release.PyRosetta.MinSizeRel linux.clang.python38.release.PyRosetta.MinSizeRel linux.clang.python39.release.PyRosetta.MinSizeRel m1.clang.python310.release.PyRosetta.MinSizeRel m1.clang.python311.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel mac.clang.python310.release.PyRosetta.MinSizeRel mac.clang.python311.release.PyRosetta.MinSizeRel mac.clang.python38.release.PyRosetta.MinSizeRel mac.clang.python39.release.PyRosetta.MinSizeRel ubuntu.clang.python310.release.PyRosetta.MinSizeRel ubuntu.clang.python311.release.PyRosetta.MinSizeRel ubuntu.clang.python36.release.PyRosetta.MinSizeRel ubuntu.clang.python37.release.PyRosetta.MinSizeRel ubuntu.clang.python38.release.PyRosetta.MinSizeRel ubuntu.clang.python39.release.PyRosetta.MinSizeRel linux.clang.python310.release.PyRosetta.Release linux.clang.python311.release.PyRosetta.Release linux.clang.python36.release.PyRosetta.Release linux.clang.python37.release.PyRosetta.Release linux.clang.python38.release.PyRosetta.Release linux.clang.python39.release.PyRosetta.Release m1.clang.python310.release.PyRosetta.Release m1.clang.python311.release.PyRosetta.Release m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release mac.clang.python310.release.PyRosetta.Release mac.clang.python311.release.PyRosetta.Release mac.clang.python38.release.PyRosetta.Release mac.clang.python39.release.PyRosetta.Release ubuntu.clang.python310.release.PyRosetta.Release ubuntu.clang.python311.release.PyRosetta.Release ubuntu.clang.python36.release.PyRosetta.Release ubuntu.clang.python37.release.PyRosetta.Release ubuntu.clang.python38.release.PyRosetta.Release ubuntu.clang.python39.release.PyRosetta.Release release.PyRosetta.conda.Release release.source scientific.FlexPepDock.debug scientific.FlexPepDock scientific.abinitio_RosettaNMR_rdc.debug scientific.antibody_grafting.debug scientific.antibody_grafting scientific.antibody_h3_modeling.debug scientific.cofactor_binding_sites.debug scientific.cofactor_binding_sites scientific.ddg_ala_scan.debug scientific.ddg_ala_scan scientific.docking.debug scientific.docking_ensemble.debug scientific.enzyme_design.debug scientific.enzyme_design scientific.ligand_docking.debug scientific.ligand_docking scientific.ligand_scoring_ranking.debug scientific.ligand_scoring_ranking scientific.loop_modeling_ccd_12res.debug scientific.loop_modeling_ccd_12res scientific.loop_modeling_kic_12res.debug scientific.loop_modeling_kic_12res scientific.loop_modeling_kic_fragments_12res.debug scientific.loop_modeling_ngk_12res.debug scientific.loop_modeling_ngk_12res scientific.make_fragments.debug scientific.mhc_epitope_energy.debug scientific.mhc_epitope_energy scientific.mp_dock.debug scientific.mp_dock 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_decoy_discrimination.debug scientific.mp_f19_decoy_discrimination scientific.mp_f19_sequence_recovery.debug scientific.mp_f19_sequence_recovery scientific.mp_f19_tilt_angle.debug scientific.mp_f19_tilt_angle scientific.mp_lipid_acc.debug scientific.mp_lipid_acc scientific.mp_relax.debug scientific.mp_relax scientific.mp_symdock.debug scientific.mp_symdock scientific.protein_data_bank_diagnostic.cif scientific.protein_data_bank_diagnostic.full 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.rna_denovo_favorites 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 unit.addsan linux.clang.unit.release linux.gcc.unit.release mac.clang.unit.release unit.ubsan unit.valgrind gcc-10.gcc.unit gcc-11.gcc.unit gcc-9.gcc.unit m1.clang.python39.unit ubuntu-20.04.clang.python39.unit ubuntu-20.04.gcc.python39.unit ubuntu-22.04.clang.python39.unit ubuntu-22.04.gcc.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #6404 from RosettaCommons/ewbell94/nproTweak Npro assignment bugfix

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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: linux.clang.integration.tutorials

Failed sub-tests (click for more details):
Protein-Protein-Docking
Test: mac.clang.python311.release.PyRosetta.MinSizeRel

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Test: mac.clang.python311.release.PyRosetta.Release

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Test: ubuntu-20.04.clang.python36.scientific.ligand_scoring_ranking

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Test: ubuntu-20.04.clang.python36.scientific.make_fragments.debug

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Test: ubuntu-20.04.clang.python36.scientific.mp_f19_sequence_recovery

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Test: ubuntu-20.04.clang.python36.scientific.mp_f19_tilt_angle

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Test: ubuntu-20.04.clang.python36.scientific.mp_lipid_acc

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Test: ubuntu.gcc.unit.addsan

Failed sub-tests (click for more details):
core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_beta_nov15 core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_cart_bonded core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_dslf_fa13 core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_fa_atr core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_fa_dun core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_fa_elec core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_fa_intra_rep core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_fa_intra_sol_xover4 core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_fa_rep core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_fa_sol core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_hbonds core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_lk_ball_wtd core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_omega core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_p_aa_pp core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_pro_close core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_rama core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_rama_prepro core:CyclicGeometry_peptoid_Tests:test_cyclic_permutation_yhh_planarity core:GlycanTreeSetTests:test_glycan_end_residue_deletion core:GlycanTreeSetTests:test_glycan_tree_sequence core:GlycanTreeSetTests:test_glycan_tree_set core:GlycanTreeSetTests:test_glycosylations core:GlycanTreeSetTests:test_non_glycan_pose core:GlycanTreeSetTests:test_residue_deletions_and_additions core:GlycanTreeSetTests:test_serialization_and_clone core:GlycanTreeSetTests:test_serialization_observation core:SapConstraintEnergyTests:test_fast_partial_packing core:SapConstraintEnergyTests:test_helper_lightning core:SapConstraintEnergyTests:test_lightning_packing_partial core:SapConstraintEnergyTests:test_math_mover core:SapConstraintEnergyTests:test_mover core:SapConstraintEnergyTests:test_partial_packing core:SapConstraintEnergyTests:test_selectors protocols:AddMembraneMoverTest:test_anchored_foldtree protocols:AddMembraneMoverTest:test_conformation_invariant protocols:AddMembraneMoverTest:test_default_membrane_position protocols:AddMembraneMoverTest:test_existing_membrane_rsd protocols:AddMembraneMoverTest:test_initial_foldtree protocols:AddMembraneMoverTest:test_initial_spans_setup protocols:AddMembraneMoverTest:test_membrane_jump_tracking protocols:AddMembraneMoverTest:test_membrane_rsd_tracking protocols:AddMembraneMoverTest:test_multi_mem_pose1 protocols:AddMembraneMoverTest:test_multi_mem_pose2 protocols:AddMembraneMoverTest:test_single_tm_span_pose protocols:AlignPDBInfoToSequencesTests:test_SequenceSpecification protocols:AlignPDBInfoToSequencesTests:test_ctor_and_operators protocols:AlignPDBInfoToSequencesTests:test_dna_align protocols:AlignPDBInfoToSequencesTests:test_mode_enum protocols:AlignPDBInfoToSequencesTests:test_multiple protocols:AlignPDBInfoToSequencesTests:test_parse_target_tag protocols:AlignPDBInfoToSequencesTests:test_real_example protocols:AlignPDBInfoToSequencesTests:test_set_modes protocols:AlignPDBInfoToSequencesTests:test_single protocols:AlignPDBInfoToSequencesTests:test_throw_on_fail protocols:MRSJobQueenTests:test_MRSJobQueen_with_good_input protocols:MRSJobQueenTests:test_incorrect_attribute_value protocols:MRSJobQueenTests:test_not_enough_job_results_for_next_node protocols:MRSJobQueenTests:test_tag_for_nonmover_nonfilter protocols:MRSJobQueenTests:test_typo_in_score_function protocols:MoverFactoryTests:test_MoverFactory_all_Mover_all_attributes_have_descriptions protocols:MoverFactoryTests:test_MoverFactory_all_Mover_complexTypes_have_descriptions protocols:MoverFactoryTests:test_all_movers_define_valid_xsds
Test: linux.clang.unit

Failed sub-tests (click for more details):
core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_dslf_fa13 core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_dun_dev core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_dun_semi core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_intra_atr_xover4 core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_intra_rep core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_intra_rep_xover4 core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_rep core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_lk_ball_bridge core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_lk_ball_bridge_uncpl core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_p_aa_pp core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_pro_close core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_rama_prepro core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_beta core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_cart_bonded core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_fa_atr core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_fa_dun_rot core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_fa_elec core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_fa_intra_elec core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_fa_intra_sol_xover4 core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_fa_sol core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_hbonds core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_hxl_tors core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_lk_ball core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_lk_ball_iso core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_omega core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_rama


branch: master 「№62016」
Commited by: Rocco Moretti
GitHub commit link: 「c56c2463e22f8ac3」 「№6401」
Difference from previous tested commit:  code diff
Commit date: 2023-05-30 12:52:41
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.clang.python310.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python310.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 build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.build.debug gcc-9.gcc.build.debug icc.icc.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 mac.clang.bcl.build.debug OpenCL ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics gcc-10.gcc.build.release gcc-11.gcc.build.release gcc-9.gcc.build.release static mac.clang.static.build.release torch.gcc.pytorch.python39.build.release beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck