Pull Request №62 RosettaCommons/rosetta/main ← lyskov/rosetta/f2 Merge: 7e25e4a52fb93e5a0e14e5e22a1c39da70851ba7←87ca10d7adc9d89b474b559a1c5c736aa6873cb5 dummy PR to test new extended test set ---------------- Merge commit message: dummy commit to trigger test run

• Summary
• gcc-12.gcc.cxx11thread.serialization.build.release
• gcc-12.gcc.cxx11thread.serialization.unit 「6」

Pull Request №62 RosettaCommons/rosetta/main ← lyskov/rosetta/f2 Merge: 7e25e4a52fb93e5a0e14e5e22a1c39da70851ba7←65b41426b6aedb4c3b856f6a64596f30800ece93 dummy PR to test new extended test set ---------------- Merge commit message: Merge branch 'RosettaCommons:main' into f2

• Summary
• gcc-12.gcc.PyRosetta.unit 「53」
• gcc-13.gcc.PyRosetta.unit 「53」

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←8ff67fb49dbcec46960d55020701e3d6623c2b75 Updated Ligand Motifs Code ---------------- Merge commit message: Removing tolerance pass of 0.05 for sin_cos_range. Passing the value breaks the function in benchmark tests for pyrosetta (works in other builds) I adjusted sin_cos_range anyway to always return -1 or 1 if the value is outside the range with tolerance

• Summary
• beautification
• code_quality.beautify
• code_quality.merge_size
• integration.mpi 「23」
• integration.release_debug 「4」
• integration 「3」
• windows.build.debug

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←cb143b3f1f4b3ad8d98726160ca763fcbd55d422 Updated Ligand Motifs Code ---------------- Merge commit message: Adjusting sin_cos_range to no longer fail if the calculation is outside of the native range A warning is thrown that the value is out of range, and the value is then set to the corresponding range bound, just like is done if using BOINC.

• Summary
• linux.clang.cxx11thread.serialization.python37.PyRosetta.unit
• mac.clang.python38.PyRosetta.unit
• beautification
• code_quality.merge_size
• integration.mpi 「23」
• integration.release_debug 「4」
• integration 「3」
• scripts.pyrosetta

removing added options that are no longer being used

• Summary

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←693605379bc85bffd0c13de2d0eaae84259c9c77 Updated Ligand Motifs Code ---------------- Merge commit message: removing added options that are no longer being used

• Summary
• linux.clang.cxx11thread.serialization.python37.PyRosetta.unit
• mac.clang.python38.PyRosetta.unit
• beautification
• code_quality.merge_size
• integration.mpi 「1」
• integration.release_debug 「5」
• integration 「3」
• scripts.pyrosetta
• windows.build.debug
• windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←f3ecfee8fbbf9c9f613833d0a75068f8d26b57e7 Updated Ligand Motifs Code ---------------- Merge commit message: fixing declaration of Bool to Boolean

• Summary
• build.header
• build.levels
• beautification
• integration.mpi 「23」
• integration.release_debug 「5」
• integration 「3」
• linux.clang.unit 「22」
• linux.gcc.cxx11thread.serialization.unit 「22」
• linux.gcc.unit 「22」
• mac.clang.unit 「22」
• windows.build.debug
• windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←44c12ad86c197c6384429b822321e1761acc6ebe Updated Ligand Motifs Code ---------------- Merge commit message: Adjusting definitions of sin_cos_range and in_sin_cos_range to allow for users to define tolerance Users can now use option run:sin_cos_range_tolerance to use tolerance values that are different from 0.001. Additionally, sin_cos_range can now allow any value pass with the use of run:keep_beyond_sin_cos_range being set to true.

• Summary
• linux.clang.cxx11thread.serialization.python37.PyRosetta.unit
• mac.clang.python38.PyRosetta.unit
• linux.clang.build.debug
• linux.gcc.build.debug
• linux.gcc.cxx11thread.serialization.build.debug
• mpi
• mpi.serialization
• mac.clang.build.debug
• build.header
• build.levels
• build.ninja_debug
• linux.clang.build.release
• linux.gcc.build.release
• mac.clang.build.release
• beautification
• code_quality.merge_size
• serialization 「538」
• integration.mpi
• integration.release_debug
• integration.tensorflow
• integration.thread
• integration
• performance
• profile
• linux.clang.score
• linux.gcc.score
• mac.clang.score
• scripts.pyrosetta
• scripts.rosetta.parse
• scripts.rosetta.verify
• linux.clang.unit
• linux.gcc.cxx11thread.serialization.unit
• linux.gcc.unit
• mac.clang.unit
• windows.build.debug
• windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←f3062e576a1b7c6afb4323b8bf0903d44645d9d8 Updated Ligand Motifs Code ---------------- Merge commit message: set coordinate_constraint to zero for the whole function (creates strange ddg scores otherwise)

• Summary
• code_quality.merge_size
• integration.mpi 「1」
• integration.release_debug 「4」
• integration.thread 「1」
• integration 「3」

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←838fff6e51abacfb6a38e08b6af958a972013d58 Updated Ligand Motifs Code ---------------- Merge commit message: beautify

• Summary
• code_quality.merge_size
• integration.mpi 「1」
• integration.release_debug 「5」
• integration 「3」

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←90b29648e50ef0640c19091e916f2b8bcd5eb176 Updated Ligand Motifs Code ---------------- Merge commit message: Adjusting smaller score functions to be derived from ligand.wts and then adjust score terms

• Summary
• beautification
• code_quality.merge_size
• integration.mpi 「1」
• integration.release_debug 「4」
• integration 「3」

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←c7e4abe8cb85a679df7d9bff4a1242375b32e6b1 Updated Ligand Motifs Code ---------------- Merge commit message: Removed unused call of PDBinfo

• Summary
• beautification
• code_quality.merge_size
• integration.mpi 「1」
• integration.release_debug 「5」
• integration 「3」

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←1ae0e57aa3661e79bd5e684164e0e24f2b00e603 Updated Ligand Motifs Code ---------------- Merge commit message: Removed unused constraints score function, removed set_weights calls that I do not remember why I had them,removed commented code for better presentation

• Summary
• beautification
• integration.release_debug 「4」

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←b1c3fa6c4d04a2869b8f858b4075efd81d4e41ce Updated Ligand Motifs Code ---------------- Merge commit message: beautify

• Summary
• code_quality.merge_size
• integration.mpi 「1」
• integration.release_debug 「5」
• integration 「3」

Merge remote-tracking branch 'origin/main' into benchmark

• Summary

don't allow H to be ambig, error out

• Summary

Legend: