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branch: master 「№60358」
Commited by: Steven Lewis
GitHub commit link: 「eb949ebdc04feb8f」 「№3410」
Difference from previous tested commit:  code diff
Commit date: 2018-08-18 12:58:16
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 linux.zeromq.debug 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.python37.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 linux.clang.python37.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 ubuntu.clang.python37.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python35.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release linux.clang.python37.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 ubuntu.clang.python37.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 #3410 from RosettaCommons/smlewis/PR_patterns At PRC Day 2, I promised that @weitzner and/or I would write up our standards for PR review. We said we'd put it in the README. We changed our minds, because the README is an obvious target for end users looking for compiling and use documentation, so instead I added it to the https://www.rosettacommons.org/docs/wiki/internal_documentation/GithubWorkflow page and improved the link from here. I am going to go ahead and merge this on the expectation that most further modifications are to the wiki not the README - but edits here are cheap, so feel free to open another README PR as necessary if there is further comment.



branch: master 「№60357」
Commited by: Rocco Moretti
GitHub commit link: 「d7ca38d07878661a」 「№3405」
Difference from previous tested commit:  code diff
Commit date: 2018-08-17 11:04:59
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 linux.zeromq.debug 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 maintenance.documentation performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python37.release.PyRosetta4.Debug mac.clang.python27.release.PyRosetta4.Debug linux.clang.python37.release.PyRosetta4.MinSizeRel mac.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python35.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release linux.clang.python37.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

Merge pull request #3405 from RosettaCommons/roccomoretti/IG_size_debug Switch interaction graph size output to debug tracer level. There's little a non-expert user can do with the raw size value. Make it available with a debug-level tracer, but put a more user-actionable message for high IG memory usage. (Set arbitrarily at 25 MB)

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

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

Failed sub-tests (click for more details):
AnchoredDesign Enzrevert_xml FloppyTail InterfaceAnalyzer_bothpack InterfaceAnalyzer_ligand InterfaceAnalyzer_prepack InterfaceAnalyzer_resfile KIC_refine KIC_vicinity KIC_with_fragments LayerSelector LoopAnalyzer ReadResfile_with_selector SnugDock TryDisulfPermutations UBQ_E2_thioester UBQ_E2_thioester_extra_bodies UBQ_E2_thioester_two_ubiquitins UBQ_Gp_CYD-CYD UBQ_Gp_LYX-Cterm add_helix_sequence_constraints add_helix_sequence_constraints_advanced_setup antibody_H3 antibody_H3_camelid antibody_designer antibody_graft antibody_numbering_converter assemble_domains_jd2 autosetup_metals_centroid backrub backrub_pilot batch_relax beta_strand_homodimer binselector binselector_probins broker_membrane buried_unsat_voids_hbnet_design buried_unsat_voids_hbnet_design_symm cart_min_glycans ccd_ends_graft_mover_rs classic_relax_1a19 cluster_alns create_sequence_motif crosslinkermover_octahedral crosslinkermover_octahedral_s2_symm crosslinkermover_square_planar crosslinkermover_square_planar_d2_symm crosslinkermover_square_pyramidal crosslinkermover_tetrahedral_metal crosslinkermover_tetrahedral_metal_asp crosslinkermover_tetrahedral_metal_c2_symmetry crosslinkermover_tetrahedral_metal_d2_symmetry crosslinkermover_tma crosslinkermover_tma_symm crosslinkermover_trigonal_planar crosslinkermover_trigonal_planar_c3_symm crosslinkermover_trigonal_pyramidal crosslinkermover_trigonal_pyramidal_c3_symm cyclization cycpep_design_pipeline d_workflow dcys_disulfidize density_denovo density_refine density_refine_symm distances disulfidize_beta_cys dock_with_hotspot_place_simultaneously docking_distance_constraints docking_ensemble docking_ensemble_prepack docking_full_protocol docking_local_refine docking_prepack docking_site_constraints doug_dock_design_min_mod2_cal_cal entropy_correction enumerative_sampling enzdes farnesyl fast_relax favor_native_residue fix_alignment_to_match_pdb fixbb flexpepdock flexpepdock_abinitio fold_from_loops fuzzy ga_ligand_dock gen_lig_grids genkic_lowmemory_mode genkic_ramaprepro_sampling glycan_anomers glycan_refinment glycan_relax glycan_sequon_scanner glycan_tree_relax glycan_tree_relax_build_single glycan_tree_relax_quench hbonds hbonds_sp2 hbs_design helix_from_sequence homodimer_fnd_ref2015_memb hotspot_graft hotspot_hashing hotspot_stub_constraints hybridization hydrate hydrate_relax identify_cdr_clusters ig_dump inv_kin_lig_loop_design inverse_rotamer_remodel jd2test_PDBIO jd2test_PDBin_mmCIFout jd2test_PDBin_mmCIFout_extra_data_separate jd2test_mmCIFIO jd2test_mmCIFin_PDBout jrelax kinematic_looprelax ligand_database_io ligand_dock_7cpa ligand_dock_ensemble ligand_dock_script ligand_motif_design ligand_water_docking loop_creation loop_modeling make_symmdef_file membrane_relax membrane_relax_hbond metal_setup metalloprotein_abrelax mf_fixbb_des mf_fixbb_sc mf_flexbb_sc min_pack_min mirror_symm motif_dna_packer_design mp_dock mp_dock_prepack mp_domain_assembly mp_find_interface mp_mutate_relax mp_mutate_repack mp_quick_relax_ref2015_memb mp_range_relax mp_relax mp_relax_w_ligand mp_span_ang_ref2015_memb mp_symdock mp_vis_emb mpi_multistate_design mr_protocols msd_mover multistage_rosetta_scripts mutate ncaa_fixbb netcharge_design netcharge_design_symm next_generation_KIC non-canonical_connectivities oligourea_design oligourea_predict oop_design oop_dock_design orbitals pH_mode pepspec pepspec_anchor_dock phiselector phosphonate place_simultaneously pna pocket_relax posttranslationalmod_io ppi_v3_suiteA ppi_v3_suiteB ppi_v3_suiteC ppi_v3_suiteD ppi_v3_suiteE ppi_v3_suiteF ppi_v3_suiteG ppk pymol_cif range_relax_w_cst readin_dna_rna_protein relax_w_allatom_cst remodel remodel_disulfides_rosettascripts remodel_helical_repeat repack_with_elec_dens res_lipo_ref2015_memb resource_database_locator rna_denovo_dna_bridge rna_design rna_motif rnp_ddg_calc_mut rnp_ddg_calc_wt rnp_ddg_relax_command_2 rosetta_scripts_include rosetta_scripts_jd3 rosetta_scripts_loops rosie_ligand_docking rotamer_probability rs_flexbbmoves scaffold_matcher score12_docking score_only_silence sdf_reader secondary_structure_output seed_ensemble_JD2_JI sequence_tolerance simple_cycpep_predict simple_cycpep_predict_angle simple_cycpep_predict_anglelength simple_cycpep_predict_cartesian simple_cycpep_predict_cispro simple_cycpep_predict_cterm_isopeptide_lariat simple_cycpep_predict_cterm_isopeptide_lariat_tailless simple_cycpep_predict_design simple_cycpep_predict_nterm_isopeptide_lariat simple_cycpep_predict_nterm_isopeptide_lariat_tailless simple_cycpep_predict_octahedral_metal simple_cycpep_predict_setting simple_cycpep_predict_sidechain_isopeptide simple_cycpep_predict_sidechain_isopeptide_reverse simple_cycpep_predict_square_planar_metal simple_cycpep_predict_square_pyramidal_metal simple_cycpep_predict_symm_gly simple_cycpep_predict_tbmb simple_cycpep_predict_terminal_disulfide simple_cycpep_predict_terminal_disulfide_internal_permutations simple_cycpep_predict_terminal_disulfide_tails simple_cycpep_predict_tetrahedral_metal simple_cycpep_predict_tetrahedral_metal_asp simple_cycpep_predict_tma simple_cycpep_predict_trigonal_planar_metal simple_cycpep_predict_trigonal_pyramidal_metal simple_glycosylation splice_in_4loops_longer splice_in_4loops_shorter splice_out_H1_H2_longer splice_out_H1_H2_same splice_out_H1_H2_shorter splice_out_H3_longer splice_out_L1_L2_longer splice_out_L1_L2_same splice_out_L1_L2_shorter splice_out_L3_longer splice_out_L3_same splice_out_L3_shorter stored_residue_subset swa_protein_loop_sampler swa_protein_prepack swm_dna_bridge swm_protein_preminimize symm_disulfidize symm_rotamer_boltzmann symmetric_docking symmetry_data_resource test1_benchmark threefold_symm_peptide_design threefoldlinkermover_tbmb threefoldlinkermover_tbmb_symmetric torsion_restricted_sampling vancomycin vip voids_penalty_energy_design voids_penalty_energy_design_symmetry zinc_heterodimer zinc_homodimer_design
Test: ubuntu.gcc.integration.ubsan

Failed sub-tests (click for more details):
LayerDesign_ncaas LayerDesign_symm LayerSelector ReadResfile_with_selector TryDisulfPermutations bundlegridsampler bundlegridsampler_composition_energy bundlegridsampler_composition_energy_fract_range bundlegridsampler_copy_pitch bundlegridsampler_design bundlegridsampler_design_nstruct_mode bundlegridsampler_epsilon bundlegridsampler_multirepeat bundlegridsampler_z0_offset bundlegridsampler_z1_offset bundlereporter_filter buried_unsat_voids_hbnet_design composition_energy_layers crosslinkermover_octahedral crosslinkermover_octahedral_s2_symm crosslinkermover_square_planar crosslinkermover_square_planar_d2_symm crosslinkermover_square_pyramidal crosslinkermover_tetrahedral_metal_c2_symmetry crosslinkermover_tetrahedral_metal_d2_symmetry crosslinkermover_tma crosslinkermover_tma_symm crosslinkermover_trigonal_planar crosslinkermover_trigonal_planar_c3_symm crosslinkermover_trigonal_pyramidal crosslinkermover_trigonal_pyramidal_c3_symm d_workflow disulfidize_beta_cys hbnet_energy hbnet_energy_rosettascripts_linear hbnet_energy_symm hbondstoresidue_selector helical_bundle helical_bundle_nonideal make_and_perturb_bundle_multirepeat mirror_symm perturb_helical_bundle perturb_helical_bundle_copying_pitch perturb_helical_bundle_epsilon perturb_helical_bundle_setting perturb_helical_bundle_z_offset simple_cycpep_predict_octahedral_metal smallmover_resselector symm_disulfidize threefold_symm_peptide_design voids_penalty_energy_design voids_penalty_energy_design_symmetry
Test: mac.clang.integration

Failed sub-tests (click for more details):
AnchoredDesign Enzrevert_xml FloppyTail InterfaceAnalyzer_bothpack InterfaceAnalyzer_ligand InterfaceAnalyzer_prepack InterfaceAnalyzer_resfile KIC_refine KIC_vicinity KIC_with_fragments LayerSelector LoopAnalyzer ReadResfile_with_selector SnugDock TryDisulfPermutations UBQ_E2_thioester UBQ_E2_thioester_extra_bodies UBQ_E2_thioester_two_ubiquitins UBQ_Gp_CYD-CYD UBQ_Gp_LYX-Cterm add_helix_sequence_constraints add_helix_sequence_constraints_advanced_setup antibody_H3 antibody_H3_camelid antibody_designer antibody_graft antibody_numbering_converter assemble_domains_jd2 autosetup_metals_centroid backrub backrub_pilot batch_relax beta_strand_homodimer binselector binselector_probins broker_membrane buried_unsat_voids_hbnet_design buried_unsat_voids_hbnet_design_symm cart_min_glycans ccd_ends_graft_mover_rs classic_relax_1a19 cluster_alns create_sequence_motif crosslinkermover_octahedral crosslinkermover_octahedral_s2_symm crosslinkermover_square_planar crosslinkermover_square_planar_d2_symm crosslinkermover_square_pyramidal crosslinkermover_tetrahedral_metal crosslinkermover_tetrahedral_metal_asp crosslinkermover_tetrahedral_metal_c2_symmetry crosslinkermover_tetrahedral_metal_d2_symmetry crosslinkermover_tma crosslinkermover_tma_symm crosslinkermover_trigonal_planar crosslinkermover_trigonal_planar_c3_symm crosslinkermover_trigonal_pyramidal crosslinkermover_trigonal_pyramidal_c3_symm cyclization cycpep_design_pipeline d_workflow dcys_disulfidize density_denovo density_refine density_refine_symm distances disulfidize_beta_cys dock_with_hotspot_place_simultaneously docking_distance_constraints docking_ensemble docking_ensemble_prepack docking_full_protocol docking_local_refine docking_prepack docking_site_constraints doug_dock_design_min_mod2_cal_cal entropy_correction enumerative_sampling enzdes farnesyl fast_relax favor_native_residue fix_alignment_to_match_pdb fixbb flexpepdock flexpepdock_abinitio fold_from_loops fuzzy ga_ligand_dock gen_lig_grids genkic_lowmemory_mode genkic_ramaprepro_sampling glycan_anomers glycan_refinment glycan_relax glycan_sequon_scanner glycan_tree_relax glycan_tree_relax_build_single glycan_tree_relax_quench hbonds hbonds_sp2 hbs_design helix_from_sequence homodimer_fnd_ref2015_memb hotspot_graft hotspot_hashing hotspot_stub_constraints hybridization hydrate hydrate_relax identify_cdr_clusters ig_dump inv_kin_lig_loop_design inverse_rotamer_remodel jd2test_PDBIO jd2test_PDBin_mmCIFout jd2test_PDBin_mmCIFout_extra_data_separate jd2test_mmCIFIO jd2test_mmCIFin_PDBout jrelax kinematic_looprelax ligand_database_io ligand_dock_7cpa ligand_dock_ensemble ligand_dock_script ligand_motif_design ligand_water_docking loop_creation loop_modeling make_symmdef_file membrane_relax membrane_relax_hbond metal_setup metalloprotein_abrelax mf_fixbb_des mf_fixbb_sc mf_flexbb_sc min_pack_min mirror_symm motif_dna_packer_design mp_dock mp_dock_prepack mp_domain_assembly mp_find_interface mp_mutate_relax mp_mutate_repack mp_quick_relax_ref2015_memb mp_range_relax mp_relax mp_relax_w_ligand mp_span_ang_ref2015_memb mp_symdock mp_vis_emb mpi_multistate_design mr_protocols msd_mover multistage_rosetta_scripts mutate ncaa_fixbb netcharge_design netcharge_design_symm next_generation_KIC non-canonical_connectivities oligourea_design oligourea_predict oop_design oop_dock_design orbitals pH_mode pepspec pepspec_anchor_dock phiselector phosphonate place_simultaneously pna pocket_relax posttranslationalmod_io ppi_v3_suiteA ppi_v3_suiteB ppi_v3_suiteC ppi_v3_suiteD ppi_v3_suiteE ppi_v3_suiteF ppi_v3_suiteG ppk pymol_cif range_relax_w_cst readin_dna_rna_protein relax_w_allatom_cst remodel remodel_disulfides_rosettascripts remodel_helical_repeat repack_with_elec_dens res_lipo_ref2015_memb resource_database_locator rna_denovo_dna_bridge rna_design rna_motif rnp_ddg_calc_mut rnp_ddg_calc_wt rnp_ddg_relax_command_2 rosetta_scripts_include rosetta_scripts_jd3 rosetta_scripts_loops rosie_ligand_docking rotamer_probability rs_flexbbmoves scaffold_matcher score12_docking score_only_silence sdf_reader secondary_structure_output seed_ensemble_JD2_JI sequence_tolerance simple_cycpep_predict simple_cycpep_predict_angle simple_cycpep_predict_anglelength simple_cycpep_predict_cartesian simple_cycpep_predict_cispro simple_cycpep_predict_cterm_isopeptide_lariat simple_cycpep_predict_cterm_isopeptide_lariat_tailless simple_cycpep_predict_design simple_cycpep_predict_nterm_isopeptide_lariat simple_cycpep_predict_nterm_isopeptide_lariat_tailless simple_cycpep_predict_octahedral_metal simple_cycpep_predict_setting simple_cycpep_predict_sidechain_isopeptide simple_cycpep_predict_sidechain_isopeptide_reverse simple_cycpep_predict_square_planar_metal simple_cycpep_predict_square_pyramidal_metal simple_cycpep_predict_symm_gly simple_cycpep_predict_tbmb simple_cycpep_predict_terminal_disulfide simple_cycpep_predict_terminal_disulfide_internal_permutations simple_cycpep_predict_terminal_disulfide_tails simple_cycpep_predict_tetrahedral_metal simple_cycpep_predict_tetrahedral_metal_asp simple_cycpep_predict_tma simple_cycpep_predict_trigonal_planar_metal simple_cycpep_predict_trigonal_pyramidal_metal simple_glycosylation splice_in_4loops_longer splice_in_4loops_shorter splice_out_H1_H2_longer splice_out_H1_H2_same splice_out_H1_H2_shorter splice_out_H3_longer splice_out_L1_L2_longer splice_out_L1_L2_same splice_out_L1_L2_shorter splice_out_L3_longer splice_out_L3_same splice_out_L3_shorter stored_residue_subset swa_protein_loop_sampler swa_protein_prepack swm_dna_bridge swm_protein_preminimize symm_disulfidize symm_rotamer_boltzmann symmetric_docking symmetry_data_resource test1_benchmark threefold_symm_peptide_design threefoldlinkermover_tbmb threefoldlinkermover_tbmb_symmetric torsion_restricted_sampling vancomycin vip voids_penalty_energy_design voids_penalty_energy_design_symmetry zinc_heterodimer zinc_homodimer_design


branch: master 「№60356」
Commited by: Rebecca Alford
GitHub commit link: 「4339104dc0551a77」 「№3384」
Difference from previous tested commit:  code diff
Commit date: 2018-08-17 06:37:22
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 linux.zeromq.debug 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 maintenance.documentation performance profile linux.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.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 #3384 from RosettaCommons/rfalford12/minor-refactor-lipid-accessibility Minor Refactoring in MPLipidAccessibility

...


branch: master 「№60355」
Commited by: Steven Lewis
GitHub commit link: 「41067c35e93c24d1」 「№3403」
Difference from previous tested commit:  code diff
Commit date: 2018-08-16 20:03:07
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 linux.zeromq.debug 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 performance profile 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 unit.ubsan

Merge pull request #3403 from CyrusBiotechnology/indigo/argobody_fix_outlier_bug Antibody grafting, database blast outlier exclusion list, add H3 and orientation This add 2 lines of code to protocols/antibody/grafting/scs_functor.cc For the antibody grafting app, blast search of pdb templates can be modified by giving an input list of "oulier" pdbIDs to ecvlude for the search of templates to graft from. The ability to exclude outliers for H3 and orientation was left out of the code (not sure if this was an accident). With this PR, H3 and orientation graft outliers are excluded if and only if you add the corresponding H3 and orientation -specific lines to your outlier list file. This does not change any defaults, but adds the ability to exclude templates for H3 grafting too. From Cyrus from @indigogo



branch: master 「№60354」
Commited by: Rebecca Alford
GitHub commit link: 「331070810ffa9874」 「№3385」
Difference from previous tested commit:  code diff
Commit date: 2018-08-16 17:39:48
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 linux.zeromq.debug 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 #3385 from RosettaCommons/rfalford12/minor-refactor-remove-lipid-acc-info Remove LipidAccInfo from Main

...
Test: linux.clang.performance

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


branch: master 「№60353」
Commited by: Rebecca Alford
GitHub commit link: 「8352f5e3254af235」 「№3386」
Difference from previous tested commit:  code diff
Commit date: 2018-08-16 17:38:58
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 linux.zeromq.debug 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 #3386 from RosettaCommons/rfalford12/cubic-spline-func-to-numeric Move Cubic Polynomial Functions from Etable to Numeric

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branch: master 「№60352」
Commited by: Jared Adolf-Bryfogle
GitHub commit link: 「0315fdaf01805e78」 「№3394」
Difference from previous tested commit:  code diff
Commit date: 2018-08-16 17:15:22
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 linux.zeromq.debug 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 #3394 from RosettaCommons/jadolfbr/fix_sm_int_test Add missing command file for SimpleMetric integration tests.

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

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

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


branch: master 「№60351」
Commited by: jkleman
GitHub commit link: 「7111c54c14ba9a53」 「№3392」
Difference from previous tested commit:  code diff
Commit date: 2018-08-13 14:33:52
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 linux.zeromq.debug 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 linux.clang.python37.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 linux.clang.python37.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 linux.clang.python27.release.PyRosetta4.Release linux.clang.python35.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release linux.clang.python37.release.PyRosetta4.Release mac.clang.python27.release.PyRosetta4.Release mac.clang.python35.release.PyRosetta4.Release mac.clang.python36.release.PyRosetta4.Release ubuntu.clang.python35.release.PyRosetta4.Release ubuntu.clang.python37.release.PyRosetta4.Release release.source scientific.protein_data_bank_diagnostic.cif 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 #3392 from RosettaCommons/jkleman/sci_bench_move prep for scientific benchmarking: moved old stuff into before2018 folder



branch: master 「№60350」
Commited by: Ragul Gowthaman
GitHub commit link: 「3bdfef3c7a2a3ca7」 「№3387」
Difference from previous tested commit:  code diff
Commit date: 2018-08-13 10:32:33
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 linux.zeromq.debug 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.python35.release.PyRosetta4.MinSizeRel ubuntu.clang.python37.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 #3387 from RosettaCommons/bioragul/addtcr added templates for TCR modeling into additional protocol data



branch: master 「№60349」
Commited by: Steven Lewis
GitHub commit link: 「3135d32229f5ebd3」
Difference from previous tested commit:  code diff
Commit date: 2018-08-08 19:02:18
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 linux.zeromq.debug 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.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 linux.clang.python37.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 linux.clang.python37.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 ubuntu.clang.python37.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python35.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release linux.clang.python37.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 ubuntu.clang.python37.release.PyRosetta4.Release release.source scientific.protein_data_bank_diagnostic.fast 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

BindingSiteConstraint bugfixes 1. site_constraint is an orphaned ScoreType. BindingSiteConstraint is a functioning constraint that uses atom_pair_constraint as its ScoreType, but optionally uses whichever ScoreType you request. I have added site_constraint to the list in ConstraintsEnergy so that you may use site_constraint with BindingSiteConstraint. 2. BindingSiteConstraint's Tracer was mislabled (copy paste error) 3. BindingSiteConstraint's clone() function was missing an argument in its dispatch to the copy ctor and thus forced cloned copies into the default ScoreType instead of an assigned ScoreType.

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Test: ubuntu.gcc.integration.ubsan

Failed sub-tests (click for more details):
LayerDesign_ncaas LayerDesign_symm LayerSelector ReadResfile_with_selector TryDisulfPermutations bundlegridsampler bundlegridsampler_composition_energy bundlegridsampler_composition_energy_fract_range bundlegridsampler_copy_pitch bundlegridsampler_design bundlegridsampler_design_nstruct_mode bundlegridsampler_epsilon bundlegridsampler_multirepeat bundlegridsampler_z0_offset bundlegridsampler_z1_offset bundlereporter_filter buried_unsat_voids_hbnet_design composition_energy_layers crosslinkermover_octahedral crosslinkermover_octahedral_s2_symm crosslinkermover_square_planar crosslinkermover_square_planar_d2_symm crosslinkermover_square_pyramidal crosslinkermover_tetrahedral_metal_c2_symmetry crosslinkermover_tetrahedral_metal_d2_symmetry crosslinkermover_tma crosslinkermover_tma_symm crosslinkermover_trigonal_planar crosslinkermover_trigonal_planar_c3_symm crosslinkermover_trigonal_pyramidal crosslinkermover_trigonal_pyramidal_c3_symm d_workflow disulfidize_beta_cys hbnet_energy hbnet_energy_rosettascripts_linear hbnet_energy_symm hbondstoresidue_selector helical_bundle helical_bundle_nonideal make_and_perturb_bundle_multirepeat mirror_symm perturb_helical_bundle perturb_helical_bundle_copying_pitch perturb_helical_bundle_epsilon perturb_helical_bundle_setting perturb_helical_bundle_z_offset simple_cycpep_predict_octahedral_metal smallmover_resselector symm_disulfidize threefold_symm_peptide_design voids_penalty_energy_design voids_penalty_energy_design_symmetry
Test: linux.clang.performance

Failed sub-tests (click for more details):
protocols_ligand_docking_LigandDockProtocol
Test: linux.clang.scientific.protein_data_bank_diagnostic.fast

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branch: master 「№60348」
Commited by: Steven Lewis
GitHub commit link: 「1b022a38c8d6cbc7」 「№3375」
Difference from previous tested commit:  code diff
Commit date: 2018-08-08 18:52:14
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 linux.zeromq.debug 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 #3375 from RosettaCommons/smlewis/fix_noe_assignment should fix unstable noe_assignment itest by grepping out the offending log lines

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Test: linux.clang.integration.release_debug_no_symbols

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

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


branch: master 「№60347」
Commited by: Vikram K. Mulligan
GitHub commit link: 「9dda2bfc26b328e4」 「№3381」
Difference from previous tested commit:  code diff
Commit date: 2018-08-08 15:14:38
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 linux.zeromq.debug 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.PyRosetta4.Debug 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 #3381 from RosettaCommons/vmullig/eliminate_std_rand Removing an instance of std::rand in protocols, and updating a function signature to pass a vector by const reference instead of by copy. Flipping tests flip (the same integration tests that changed in the revision in which I did nothing but beautify). No other test changes observed.



branch: master 「№60346」
Commited by: Vikram K. Mulligan
GitHub commit link: 「04840f002fbaea28」
Difference from previous tested commit:  code diff
Commit date: 2018-08-07 06:52:29
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 linux.zeromq.debug 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 maintenance.documentation performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python35.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.Debug linux.clang.python37.release.PyRosetta4.Debug mac.clang.python35.release.PyRosetta4.Debug mac.clang.python36.release.PyRosetta4.Debug linux.clang.python35.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python37.release.PyRosetta4.MinSizeRel mac.clang.python27.release.PyRosetta4.MinSizeRel mac.clang.python35.release.PyRosetta4.MinSizeRel mac.clang.python36.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 linux.clang.python37.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.valgrind

beautifying

...
Test: ubuntu.gcc.integration.ubsan

Failed sub-tests (click for more details):
LayerDesign_ncaas LayerDesign_symm LayerSelector ReadResfile_with_selector TryDisulfPermutations bundlegridsampler bundlegridsampler_composition_energy bundlegridsampler_composition_energy_fract_range bundlegridsampler_copy_pitch bundlegridsampler_design bundlegridsampler_design_nstruct_mode bundlegridsampler_epsilon bundlegridsampler_multirepeat bundlegridsampler_z0_offset bundlegridsampler_z1_offset bundlereporter_filter buried_unsat_voids_hbnet_design composition_energy_layers crosslinkermover_octahedral crosslinkermover_octahedral_s2_symm crosslinkermover_square_planar crosslinkermover_square_planar_d2_symm crosslinkermover_square_pyramidal crosslinkermover_tetrahedral_metal_c2_symmetry crosslinkermover_tetrahedral_metal_d2_symmetry crosslinkermover_tma crosslinkermover_tma_symm crosslinkermover_trigonal_planar crosslinkermover_trigonal_planar_c3_symm crosslinkermover_trigonal_pyramidal crosslinkermover_trigonal_pyramidal_c3_symm d_workflow disulfidize_beta_cys hbnet_energy hbnet_energy_rosettascripts_linear hbnet_energy_symm hbondstoresidue_selector helical_bundle helical_bundle_nonideal make_and_perturb_bundle_multirepeat mirror_symm perturb_helical_bundle perturb_helical_bundle_copying_pitch perturb_helical_bundle_epsilon perturb_helical_bundle_setting perturb_helical_bundle_z_offset simple_cycpep_predict_octahedral_metal smallmover_resselector symm_disulfidize threefold_symm_peptide_design voids_penalty_energy_design voids_penalty_energy_design_symmetry
Test: mac.clang.integration

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


branch: master 「№60345」
Commited by: Vikram K. Mulligan
GitHub commit link: 「882cef3e7b60e2ab」 「№2573」
Difference from previous tested commit:  code diff
Commit date: 2018-08-07 04:06:53
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 linux.zeromq.debug 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.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 #2573 from RosettaCommons/vmullig/refactor_parametric_code Refactor the Parametric code Merged from my phone. This somehow feels wrong... This will simplify the code considerably, and make it easier to add additional parameters or new parameterizations. It will also simplify the parameter-space minimizer that I have working in a branch (and which I really need to get back to at some point). Tasks: - [x] Add a Parameter abstract base class. - [x] Derived classes for Real, Size, or Boolean-valued Parameters. - [x] Store parameter name, type, value. - [x] Setters and getters for these. - [x] Value-parsing functions. - [x] XSD functions. - [x] Serialization. - [x] Ensure that default values can be specified (e.g. 1.0 for `epsilon`). - [x] Add means of copying parameters. - [x] Have this do something. - [x] Override the default "copies_from" to say "copies_helix" (_e.g._ "r0_copies_helix"). - [x] Special case of omega -- add means of copying pitch. - [x] Means of converting degrees->radians. - [x] Ensure that sampling and perturbing options are reset before storing in the Conformation. - [x] Add a ParametrizationCalculator abstract base class. - [x] Add a BundleParametrizationCalculator class. - [x] Tie in to MakeBundleHelix mover. - [x] Tie in to MakeBundle. - [x] Add default BundleParametrizationCalculator, and have it parse its options. - [x] Have the individual helix BundleParametrizationCalculators start off as clones of the default one (with cloning _after_ setup). - [x] Have them then override their options by parsing sub-tags. - [x] Check MakeBundle function (existing tests). - [x] Think about non-RosettaScripts interface, too. (What if defaults are set _after_ individual helices?) - [x] Fix the helical_bundle_nonideal integration test. (The second pose should be identical to the first. There's currently a problem with the bundle symmetry option in degrees mode.) - [x] Tie in to PerturbBundle. - [x] Deprecate PerturbBundleOptions class. - [x] Simplify PerturbBundleHelix mover. - [x] Simplify parse_my_tag(). - [x] Simplify apply(). - [x] Simplify perturb_values(). - [x] Check tests. - [x] Simplify XSD function. - [x] Tie in to BundleGridSampler. - [x] Check tests. - [x] Update parametric design GUI. - [x] Refactor the BundleParameters class to reduce the hardcoding of parameters. - ~~Maybe deprecate the BundleParametersSet class, too.~~ --> No, I like having a specialized class for this. _Right now_ it's not doing anything special, but it could conceivably in the future, and I don't want to have to subclass at that point. - [x] Fix integration test failures-to-run. - [x] Debug pitch copying with perturbation. It's currently not working. - [x] Check pitch copying with the BundleGridSampler. - [x] Check integration test changes. - [x] Debug changes seen when delta_t is nonzero. - Caused by ambiguity in rotation direction for beta-strands with omega1 ~ 180 degrees. Not a big cause for concern, though integration tests have been updated. - [x] Fix unit tests. - [x] Check `perturb_helical_bundle` integration test failure. It was the only one showing a real failure, and I think I've fixed it, now. Put off to another pull request: - Fix the longstanding residue vector problem in the Parameters object.

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Test: linux.gcc.code_quality.beautification

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

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

Failed sub-tests (click for more details):
LayerDesign_ncaas LayerDesign_symm LayerSelector ReadResfile_with_selector TryDisulfPermutations bundlegridsampler bundlegridsampler_composition_energy bundlegridsampler_composition_energy_fract_range bundlegridsampler_copy_pitch bundlegridsampler_design bundlegridsampler_design_nstruct_mode bundlegridsampler_epsilon bundlegridsampler_multirepeat bundlegridsampler_z0_offset bundlegridsampler_z1_offset bundlereporter_filter buried_unsat_voids_hbnet_design code_template_tests_src composition_energy_layers crosslinkermover_octahedral crosslinkermover_octahedral_s2_symm crosslinkermover_square_planar crosslinkermover_square_planar_d2_symm crosslinkermover_square_pyramidal crosslinkermover_tetrahedral_metal_c2_symmetry crosslinkermover_tetrahedral_metal_d2_symmetry crosslinkermover_tma crosslinkermover_tma_symm crosslinkermover_trigonal_planar crosslinkermover_trigonal_planar_c3_symm crosslinkermover_trigonal_pyramidal crosslinkermover_trigonal_pyramidal_c3_symm d_workflow disulfidize_beta_cys hbnet_energy hbnet_energy_rosettascripts_linear hbnet_energy_symm hbondstoresidue_selector helical_bundle helical_bundle_nonideal make_and_perturb_bundle_multirepeat mirror_symm noe_assignment perturb_helical_bundle perturb_helical_bundle_copying_pitch perturb_helical_bundle_epsilon perturb_helical_bundle_setting perturb_helical_bundle_z_offset rosetta_scripts_info smallmover_resselector symm_disulfidize threefold_symm_peptide_design voids_penalty_energy_design voids_penalty_energy_design_symmetry
Test: mac.clang.integration

Failed sub-tests (click for more details):
LayerDesign_ncaas LayerDesign_symm LayerSelector ReadResfile_with_selector TryDisulfPermutations bundlegridsampler bundlegridsampler_composition_energy bundlegridsampler_composition_energy_fract_range bundlegridsampler_copy_pitch bundlegridsampler_design bundlegridsampler_design_nstruct_mode bundlegridsampler_epsilon bundlegridsampler_multirepeat bundlegridsampler_z0_offset bundlegridsampler_z1_offset bundlereporter_filter buried_unsat_voids_hbnet_design code_template_tests_src composition_energy_layers crosslinkermover_octahedral crosslinkermover_octahedral_s2_symm crosslinkermover_square_planar crosslinkermover_square_planar_d2_symm crosslinkermover_square_pyramidal crosslinkermover_tetrahedral_metal_c2_symmetry crosslinkermover_tetrahedral_metal_d2_symmetry crosslinkermover_tma crosslinkermover_tma_symm crosslinkermover_trigonal_planar crosslinkermover_trigonal_planar_c3_symm crosslinkermover_trigonal_pyramidal crosslinkermover_trigonal_pyramidal_c3_symm d_workflow disulfidize_beta_cys hbnet_energy hbnet_energy_rosettascripts_linear hbnet_energy_symm hbondstoresidue_selector helical_bundle helical_bundle_nonideal make_and_perturb_bundle_multirepeat mirror_symm noe_assignment perturb_helical_bundle perturb_helical_bundle_copying_pitch perturb_helical_bundle_epsilon perturb_helical_bundle_setting perturb_helical_bundle_z_offset rosetta_scripts_info smallmover_resselector symm_disulfidize threefold_symm_peptide_design voids_penalty_energy_design voids_penalty_energy_design_symmetry
Test: linux.clang.performance

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


branch: master 「№60344」
Commited by: Frank DiMaio
GitHub commit link: 「aa13a17b3a2934db」 「№3371」
Difference from previous tested commit:  code diff
Commit date: 2018-08-06 22:03:53
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 linux.zeromq.debug 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.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.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 #3371 from RosettaCommons/guangfeng/cryst_dock Several bugfixes in 3D-lattice docking. Addresses issue #3363. Minor outputting changes expected in small_molecule_lattice_dock integration test.

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

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Test: mac.clang.integration

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

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


branch: master 「№60343」
Commited by: Andy Watkins
GitHub commit link: 「b148bd26d6ff74a4」 「№3370」
Difference from previous tested commit:  code diff
Commit date: 2018-08-06 14:10:41
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 linux.zeromq.debug 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 ubuntu.clang.python35.release.PyRosetta4.Release ubuntu.clang.python37.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 #3370 from RosettaCommons/everyday847/never_stop_fighting_pdb_input Continued PDB input fixes

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Test: linux.gcc.code_quality.beautification

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1 2 3 4 5 6 7 8 9 .. 247 >

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queued Queued Test
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running Test is Running right now
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