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branch: rosetta:commits 「№20382」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№49」
Merge: 「80e656e71」← 「3621ba234」  code diff
Scheduled at: 2024-04-16 19:23:10.122160
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.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №49 RosettaCommons/rosetta/main ← roccomoretti/rosetta/mp_f19_relax_test Merge: 80e656e7195c7a4f4789cf4efe8bfcef85ead1d4←3621ba23488335baf2734a6f8f3cf023eca8e526 Test and fix for mp_f19_decoy_discrimination failure ---------------- Merge commit message: Update MembraneGeometry to avoid NaNs. Also clean up and make things a bit more efficient.

Rosetta Benchmark 3 weeks
Tests for this revision was automatically canceled because newer set of tests for pull-request №49 was submitted!
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Test: linux.gcc.mpi.serialization.integration.mpi

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

Failed sub-tests (click for more details):
mp_f19_relax


branch: rosetta:commits 「№20381」
Commited by: Rocco Moretti
GitHub commit link: 「80e656e7195c7a4f」
Difference from previous tested commit:  code diff
Commit date: 2024-04-16 16:25:26
ubuntu-20.04.clang.python310.scientific.mp_f19_ddG_of_mutation.debug ubuntu-20.04.clang.python311.scientific.mp_f19_ddG_of_mutation.debug ubuntu-20.04.clang.python312.scientific.mp_f19_ddG_of_mutation.debug scientific.mp_f19_ddG_of_mutation

Add ability to specify compiler version ranges in scons settings. (#36) The basic.settings file has had a limitation for a long while where any version-specific settings are tied to an exact version. That is, settings for gcc 9.0 can't also apply to 10.0 (or even 9.1). This makes things difficult when a potential range of different compilers need to be dealt with in the same fashion, especially in a forward-compatible way. (e.g. the lack of -ffor-scope on any GCC newer than 9.0, including ones not yet released) An adjustment to one of the build files allows us to use a pattern matching specification to add parameter blocks for ranges of compilers (e.g. cxx_ver:>9.0 for any compiler version greater than 9.0, or cxx_ver:>=5.2,<7.0 for compiler versions between 5.2 (inclusive) and 7.0 (exclusive).) Should address issue #29 and #28

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branch: rosetta:commits 「№20380」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№48」
Merge: 「80e656e71」← 「f48b3bb06」  code diff
Scheduled at: 2024-04-16 15:12:45.285014
scientific.make_fragments.debug scientific.mp_f19_ddG_of_mutation.debug

Pull Request №48 RosettaCommons/rosetta/main ← roccomoretti/rosetta/fix_scientific_tests Merge: 80e656e7195c7a4f4789cf4efe8bfcef85ead1d4←f48b3bb06a6f3c7bbd97a9e3450b96ca78d1dbc1 Fix scientific tests ---------------- Merge commit message: Fix scientific tests Attempt to fix some of the scientific tests having issues. This is complicated, in part, by not being able to replicate the exact issues on my local machine.

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Test: ubuntu-20.04.clang.python36.scientific.mp_f19_ddG_of_mutation.debug

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branch: rosetta:commits 「№20379」
Commited by: tydingcw
GitHub Pull Request link: 「№24」
Merge: 「717d2e823」← 「e8d220a93」  code diff
Scheduled at: 2024-04-16 13:08:43.610797
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.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №24 RosettaCommons/rosetta/main ← tydingcw/rosetta/crosslinkmover_lanthionine Merge: 717d2e8232174371f0c672564f23a097062db88a←e8d220a93379a80c74f1a63e262a18d83ccc5158 Crosslinker Mover lanthionine ---------------- Merge commit message: adding delete canonical property to patches/branching/C-linked_conjugation.txt

Rosetta Benchmark 3 weeks
Tests for this revision was automatically canceled because newer set of tests for pull-request №24 was submitted!
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Test: linux.clang.integration.release_debug_no_symbols

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

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

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Test: torch.clang.torch.python39.integration.torch

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Test: mac.clang.python39.integration

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Test: linux.clang.performance

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Test: linux.clang.profile

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Test: linux.clang.score

Failed sub-tests (click for more details):
Test: linux.gcc.score

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Test: mac.clang.score

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branch: rosetta:commits 「№20378」
Commited by: tydingcw
GitHub Pull Request link: 「№24」
Merge: 「717d2e823」← 「f0766bcdd」  code diff
Scheduled at: 2024-04-16 12:14:44.852810
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.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №24 RosettaCommons/rosetta/main ← tydingcw/rosetta/crosslinkmover_lanthionine Merge: 717d2e8232174371f0c672564f23a097062db88a←f0766bcdda7eef701807c11979dd50e27b9acc93 Crosslinker Mover lanthionine ---------------- Merge commit message: for ambig nmr cst, canonical residues can have at most one patch (upper or lower)

Rosetta Benchmark 3 weeks
Tests for this revision was automatically canceled because newer set of tests for pull-request №24 was submitted!
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branch: rosetta:commits 「№20377」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№36」
Merge: 「dffc8b947」← 「b1ef50fb4」  code diff
Scheduled at: 2024-04-16 11:26:46.663488
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
gcc-10.gcc.build.debug gcc-11.gcc.build.debug gcc-12.gcc.build.debug gcc-13.gcc.build.debug gcc-9.gcc.build.debug gcc-10.gcc.build.release gcc-11.gcc.build.release gcc-12.gcc.build.release gcc-13.gcc.build.release gcc-9.gcc.build.release

Pull Request №36 RosettaCommons/rosetta/main ← roccomoretti/rosetta/scons_version_ranges Merge: dffc8b947ea41f1346fb98df62436525a33bcd8e←b1ef50fb4962e2cee2edc58701af914688ce0836 Add ability to specify compiler version ranges in scons settings. ---------------- Merge commit message: One additional GCC 12 issue.

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branch: rosetta:commits 「№20376」
Commited by: tydingcw
GitHub Pull Request link: 「№24」
Merge: 「717d2e823」← 「e3d9eb9d9」  code diff
Scheduled at: 2024-04-11 18:21:47.940128
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.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №24 RosettaCommons/rosetta/main ← tydingcw/rosetta/crosslinkmover_lanthionine Merge: 717d2e8232174371f0c672564f23a097062db88a←e3d9eb9d952e526045a09f4b98affeb8c25f6140 Crosslinker Mover lanthionine ---------------- Merge commit message: updating based on feedback from rocco

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Test: linux.clang.tensorflow.integration.tensorflow

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

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

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Test: mac.clang.python39.integration

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Test: linux.clang.performance

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Test: linux.clang.profile

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

Failed sub-tests (click for more details):
Test: linux.gcc.score

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

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branch: rosetta:commits 「№20375」
Commited by: moritzertelt
GitHub Pull Request link: 「№26」
Merge: 「59f558537」← 「b30d42fbf」  code diff
Scheduled at: 2024-04-01 06:40:02.506273
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit linux.clang.tensorflow.build.debug 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.pytorch integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №26 RosettaCommons/rosetta/main ← MoritzErtelt/rosetta/SamplingModification Merge: 59f5585377a7bc55b5b5f565054dd2e8b7760696←b30d42fbf46d59ee6b4188812a23507a21b3a919 QOL update to the PerResidueEsmProbabilitiesMetric ---------------- Merge commit message: Merge branch 'SamplingModification' of github.com:MoritzErtelt/rosetta into SamplingModification

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Test: linux.clang.tensorflow.integration.tensorflow

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

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

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branch: rosetta:commits 「№20374」
Commited by: Moritz Ertelt
GitHub Pull Request link: 「№26」
Merge: 「59f558537」← 「9333d3765」  code diff
Scheduled at: 2024-04-01 06:31:34.711147
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit linux.clang.tensorflow.build.debug 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.pytorch 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.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №26 RosettaCommons/rosetta/main ← MoritzErtelt/rosetta/SamplingModification Merge: 59f5585377a7bc55b5b5f565054dd2e8b7760696←9333d3765f8bb780d914a7aaa04981f68d9d66da QOL update to the PerResidueEsmProbabilitiesMetric ---------------- Merge commit message: Merge branch 'RosettaCommons:main' into SamplingModification

Rosetta Benchmark 1 month
Tests for this revision was automatically canceled because newer set of tests for pull-request №26 was submitted!
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branch: rosetta:commits 「№20373」
Commited by: Sergey Lyskov
GitHub commit link: 「59f5585377a7bc55」
Difference from previous tested commit:  code diff
Commit date: 2024-03-30 00:58:38
linux.clang.cxx11thread.serialization.python39.PyRosetta.unit linux.clang.python39.PyRosetta.unit linux.gcc.cxx11thread.serialization.python39.PyRosetta.unit linux.gcc.python39.PyRosetta.unit ubuntu-20.04.clang.cxx11thread.serialization.python39.PyRosetta.unit ubuntu-20.04.clang.python39.PyRosetta.unit ubuntu-20.04.gcc.cxx11thread.serialization.python39.PyRosetta.unit ubuntu-20.04.gcc.python39.PyRosetta.unit ubuntu-22.04.clang.python39.PyRosetta.unit ubuntu-22.04.gcc.python39.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python39.PyRosetta.unit ubuntu.gcc.cxx11thread.serialization.python39.PyRosetta.unit ubuntu-20.04.clang.unit ubuntu-20.04.gcc.unit ubuntu-22.04.clang.unit ubuntu-22.04.gcc.unit

update documentation and remove deprecated scripts (#41) * Update README.md * add reference docker files * add reference Docker files readme * remove deprecated Conda setup and instructions * remove PyRosetta deprecated build option and update readme

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branch: rosetta:commits 「№20372」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№41」
Merge: 「3e4fc2129」← 「01f6fa925」  code diff
Scheduled at: 2024-03-29 20:56:30.809693
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.clang.python310.PyRosetta.unit linux.gcc.python312.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 ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit

Pull Request №41 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 3e4fc2129edccfa8b8b6e78b27ceb21fe4860b18←01f6fa9251afbc29b0d718caa5aa6ca48316d6b9 update documentation and remove deprecated scripts ---------------- Merge commit message: update PyRosetta readme

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branch: rosetta:commits 「№20371」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№41」
Merge: 「3e4fc2129」← 「cde8f3d9a」  code diff
Scheduled at: 2024-03-29 20:43:45.557576
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.clang.python310.PyRosetta.unit linux.gcc.python312.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 ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit

Pull Request №41 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 3e4fc2129edccfa8b8b6e78b27ceb21fe4860b18←cde8f3d9a2942a260ced55ed10f88eed34e6502e update documentation and remove deprecated scripts ---------------- Merge commit message: update Docker readme

Rosetta Benchmark 1 month
Tests for this revision was automatically canceled because newer set of tests for pull-request №41 was submitted!
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branch: rosetta:commits 「№20370」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№43」
Merge: 「3e4fc2129」← 「d1f5d769c」  code diff
Scheduled at: 2024-03-28 20:58:44.725645
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
gcc-9.gcc.build.debug linux.clang.tensorflow.build.debug build.release integration.tensorflow integration.torch

Pull Request №43 RosettaCommons/rosetta/main ← lyskov/rosetta/main Merge: 3e4fc2129edccfa8b8b6e78b27ceb21fe4860b18←d1f5d769cac54cecc3b743cc6997d0c723f64184 rename torch extras and defines ---------------- Merge commit message: fix integration tests

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branch: rosetta:commits 「№20369」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№42」
Merge: 「3e4fc2129」← 「3e35af469」  code diff
Scheduled at: 2024-03-28 20:44:43.330216
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.clang.python310.PyRosetta.unit linux.gcc.python312.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 ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit

Pull Request №42 RosettaCommons/rosetta/main ← lyskov/rosetta/f2 Merge: 3e4fc2129edccfa8b8b6e78b27ceb21fe4860b18←3e35af469be66473693d848eab4a6d43ffa63fb1 fix PyRosetta build on Ubuntu-22.04 ---------------- Merge commit message: Merge branch 'main' into f2

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branch: rosetta:commits 「№20368」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№43」
Merge: 「3e4fc2129」← 「92e3d4e47」  code diff
Scheduled at: 2024-03-28 20:44:41.426556
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
gcc-9.gcc.build.debug linux.clang.tensorflow.build.debug integration.tensorflow

Pull Request №43 RosettaCommons/rosetta/main ← lyskov/rosetta/main Merge: 3e4fc2129edccfa8b8b6e78b27ceb21fe4860b18←92e3d4e475825f8aadbe4cde605fee0676c02e86 rename torch extras and defines ---------------- Merge commit message: rename torch extras and defines

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branch: rosetta:commits 「№20367」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№42」
Merge: 「3e4fc2129」← 「fd5ef2f31」  code diff
Scheduled at: 2024-03-28 19:37:34.337435
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.clang.python310.PyRosetta.unit linux.gcc.python312.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 ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit

Pull Request №42 RosettaCommons/rosetta/main ← lyskov/rosetta/f2 Merge: 3e4fc2129edccfa8b8b6e78b27ceb21fe4860b18←fd5ef2f315bff3b7c2877abc2079c81e547b7f77 fix PyRosetta build on Ubuntu-22.04 ---------------- Merge commit message: fix PyRosetta build on Ubuntu-22.04

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