branch: rosetta:commits 「№20651」
Commited by: tydingcw
GitHub Pull Request link: 「№263」
Merge: 「4e95d564d」「9f833c77b」  code diff
Scheduled at: 2025-02-13 11:33:31.152417
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.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 №263 RosettaCommons/rosetta/main ← tydingcw/rosetta/methyllanthionine_params_update Merge: 4e95d564dc8b93fbe830018d2f295f3f69a70dfd←9f833c77b4542758475b9807b6915ec27e344114 Lanthipeptide and recon multistate design update ---------------- Merge commit message: adding serialization for base_name_ in ResidueTypeConstraint



branch: rosetta:commits 「№20650」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№282」
Merge: 「26484dedf」「d6932f136」  code diff
Scheduled at: 2025-02-06 20:25:39.698250
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.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 №282 RosettaCommons/rosetta/main ← roccomoretti/rosetta/drug_design Merge: 26484dedf0f1404f3b8d60dcc4163af48455e793←d6932f1362ee8565cbbcc5aafe6d676aa78e9102 Monte Carlo Drug Design, base code. ---------------- Merge commit message: Fix issues from review, testing.

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branch: rosetta:commits 「№20649」
Commited by: tydingcw
GitHub Pull Request link: 「№263」
Merge: 「4e95d564d」「6d14130ed」  code diff
Scheduled at: 2025-02-05 13:09:20.982711
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.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 №263 RosettaCommons/rosetta/main ← tydingcw/rosetta/methyllanthionine_params_update Merge: 4e95d564dc8b93fbe830018d2f295f3f69a70dfd←6d14130edf0f8767127d6819757186c5de151f8e Lanthipeptide and recon multistate design update ---------------- Merge commit message: beautify



branch: rosetta:commits 「№20648」
Commited by: Paul Eisenhuth
GitHub Pull Request link: 「№303」
Merge: 「c4410d087」「85bd241d1」  code diff
Scheduled at: 2025-02-05 11:01:26.837193
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification ubuntu.clang.code_quality.cppcheck ubuntu.gcc.code_quality.cppcheck code_quality.merge_size serialization linux.clang.code_quality.submodule_regression linux.gcc.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 linux.clang.python312.scripts.pyrosetta ubuntu.clang.python312.scripts.pyrosetta linux.clang.scripts.rosetta.parse ubuntu.clang.scripts.rosetta.parse linux.clang.scripts.rosetta.validate ubuntu.clang.scripts.rosetta.validate linux.clang.scripts.rosetta.verify ubuntu.clang.scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №303 RosettaCommons/rosetta/main ← Hackefleisch/rosetta/revold Merge: c4410d087fd76508df2335da8f2a84812f32254f←85bd241d107a6d15ad3c190d05ae626ad23825d0 Rosetta Evolutionary Ligand (REvoLd) ---------------- Merge commit message: Reorder mpi init and devel init to fix mpirun error

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branch: rosetta:commits 「№20647」
Commited by: Paul Eisenhuth
GitHub Pull Request link: 「№303」
Merge: 「c4410d087」「b893074bf」  code diff
Scheduled at: 2025-02-05 07:44:05.516719
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.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 №303 RosettaCommons/rosetta/main ← Hackefleisch/rosetta/revold Merge: c4410d087fd76508df2335da8f2a84812f32254f←b893074bfc9e64d011e091c32c44a8d408abe853 Rosetta Evolutionary Ligand (REvoLd) ---------------- Merge commit message: Fixed directory not found error

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revold


branch: rosetta:commits 「№20646」
Commited by: tydingcw
GitHub Pull Request link: 「№263」
Merge: 「4e95d564d」「5fe725127」  code diff
Scheduled at: 2025-02-04 19:39:04.023915
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.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 №263 RosettaCommons/rosetta/main ← tydingcw/rosetta/methyllanthionine_params_update Merge: 4e95d564dc8b93fbe830018d2f295f3f69a70dfd←5fe725127ca37565ce0ba18f89732db65787334e Lanthipeptide and recon multistate design update ---------------- Merge commit message: updating ResidueTypeCst to allow for base_name

Rosetta Benchmark 2 weeks
Tests for this revision was automatically canceled because newer set of tests for pull-request №263 was submitted!
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Test: linux.gcc.cxx11thread.integration.thread

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database_md5


branch: rosetta:commits 「№20645」
Commited by: tydingcw
GitHub Pull Request link: 「№263」
Merge: 「4e95d564d」「f51903b6b」  code diff
Scheduled at: 2025-02-04 17:56:31.830379
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.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 №263 RosettaCommons/rosetta/main ← tydingcw/rosetta/methyllanthionine_params_update Merge: 4e95d564dc8b93fbe830018d2f295f3f69a70dfd←f51903b6bbcc362c1291a6426dc7f40e692fb7da Lanthipeptide and recon multistate design update ---------------- Merge commit message: addressing initial comments from roccomoretti

Rosetta Benchmark 2 weeks
Tests for this revision was automatically canceled because newer set of tests for pull-request №263 was submitted!
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branch: rosetta:commits 「№20644」
Commited by: bolz.13
GitHub Pull Request link: 「№300」
Merge: 「a1e0e9908」「6a2f485dc」  code diff
Scheduled at: 2025-02-04 17:56:26.438195
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.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 №300 RosettaCommons/rosetta/main ← robert-bolz/rosetta/SID_ERMS_app_1 Merge: a1e0e9908af05092868be83ae85c6c7c4b04fcf6←6a2f485dcb5a1ea44221be5fccef7da1ec3976d8 SID_ERMS_Rescore ---------------- Merge commit message: cleaning up top level directory and pilot app.cc for merging to main

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branch: rosetta:commits 「№20643」
Commited by: Paul Eisenhuth
GitHub Pull Request link: 「№303」
Merge: 「c4410d087」「4faec6b02」  code diff
Scheduled at: 2025-01-31 04:40:34.689912
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification ubuntu.clang.code_quality.cppcheck ubuntu.gcc.code_quality.cppcheck code_quality.merge_size serialization linux.clang.code_quality.submodule_regression linux.gcc.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 linux.clang.python312.scripts.pyrosetta ubuntu.clang.python312.scripts.pyrosetta linux.clang.scripts.rosetta.parse ubuntu.clang.scripts.rosetta.parse linux.clang.scripts.rosetta.validate ubuntu.clang.scripts.rosetta.validate linux.clang.scripts.rosetta.verify ubuntu.clang.scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №303 RosettaCommons/rosetta/main ← Hackefleisch/rosetta/revold Merge: c4410d087fd76508df2335da8f2a84812f32254f←4faec6b0295b3454b03282c46e073b2d712652ff Rosetta Evolutionary Ligand (REvoLd) ---------------- Merge commit message: Added mpi integration test and updated option files

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Test: ubuntu.gcc.code_quality.merge_size

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

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Test: mac.clang.python39.integration

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revold
Test: linux.clang.python312.scripts.pyrosetta

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branch: rosetta:commits 「№20642」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№313」
Merge: 「e5e4b278b」「ee21dbe6b」  code diff
Scheduled at: 2025-01-27 10:15:45.600042
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.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 №313 RosettaCommons/rosetta/main ← roccomoretti/rosetta/int_max_patch Merge: e5e4b278bef53bc7e6fd8db181383a8adf7a3c9a←ee21dbe6b5ab6f3e23a930141c8b42339dfa246c Add header for INT_MAX ---------------- Merge commit message: Add header for INT_MAX From discussion #311

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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 「№20641」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№306」
Merge: 「8ef4ef1ea」「0bd83cf52」  code diff
Scheduled at: 2025-01-23 13:19:46.675986
m1.clang.cxx11thread.serialization.python310.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python310.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python310.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python312.release.rosetta.conda.release mac.clang.cxx11thread.serialization.python312.release.rosetta.conda.release ubuntu.clang.cxx11thread.serialization.python312.release.rosetta.conda.release

Pull Request №306 RosettaCommons/rosetta/main ← lyskov/rosetta/fix-conda Merge: 8ef4ef1eaaf6596709534135ef10420829ddc9d6←0bd83cf52df46316af51c74a41b6305629955603 fix Conda release procedure ---------------- Merge commit message: update regex to match both `tar.bz2` and `conda` extensions

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branch: rosetta:commits 「№20640」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№306」
Merge: 「8ef4ef1ea」「b10862fa1」  code diff
Scheduled at: 2025-01-22 17:23:07.340844
m1.clang.cxx11thread.serialization.python310.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python39.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python310.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python39.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python310.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python39.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python312.release.rosetta.conda.release ubuntu.clang.cxx11thread.serialization.python312.release.rosetta.conda.release

Pull Request №306 RosettaCommons/rosetta/main ← lyskov/rosetta/fix-conda Merge: 8ef4ef1eaaf6596709534135ef10420829ddc9d6←b10862fa14c5425d988a7a58e3aa9658ffb635bd fix Conda release procedure ---------------- Merge commit message: fix Conda release procedure

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branch: rosetta:commits 「№20639」
Commited by: Paul Eisenhuth
GitHub Pull Request link: 「№303」
Merge: 「c4410d087」「0b813566b」  code diff
Scheduled at: 2025-01-22 10:48:03.736139
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification ubuntu.clang.code_quality.cppcheck ubuntu.gcc.code_quality.cppcheck code_quality.merge_size serialization linux.clang.code_quality.submodule_regression linux.gcc.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 linux.clang.python312.scripts.pyrosetta ubuntu.clang.python312.scripts.pyrosetta linux.clang.scripts.rosetta.parse ubuntu.clang.scripts.rosetta.parse linux.clang.scripts.rosetta.validate ubuntu.clang.scripts.rosetta.validate linux.clang.scripts.rosetta.verify ubuntu.clang.scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №303 RosettaCommons/rosetta/main ← Hackefleisch/rosetta/revold Merge: c4410d087fd76508df2335da8f2a84812f32254f←0b813566b0e21b05c1b3cb42a4666eb65de4d5ea Rosetta Evolutionary Ligand (REvoLd) ---------------- Merge commit message: Changed warning message trigger to fix clang compile error

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Test: ubuntu.gcc.code_quality.merge_size

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

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replica_docking
Test: linux.clang.integration.release_debug_no_symbols

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

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mp_f19_relax revold
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branch: rosetta:commits 「№20638」
Commited by: Paul Eisenhuth
GitHub Pull Request link: 「№303」
Merge: 「c4410d087」「e780b9f55」  code diff
Scheduled at: 2025-01-20 10:57:03.696015
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification ubuntu.clang.code_quality.cppcheck ubuntu.gcc.code_quality.cppcheck code_quality.merge_size serialization linux.clang.code_quality.submodule_regression linux.gcc.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 linux.clang.python312.scripts.pyrosetta ubuntu.clang.python312.scripts.pyrosetta linux.clang.scripts.rosetta.parse ubuntu.clang.scripts.rosetta.parse linux.clang.scripts.rosetta.validate ubuntu.clang.scripts.rosetta.validate linux.clang.scripts.rosetta.verify ubuntu.clang.scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №303 RosettaCommons/rosetta/main ← Hackefleisch/rosetta/revold Merge: c4410d087fd76508df2335da8f2a84812f32254f←e780b9f55e3e40795d893a38b3797dbf8328c847 Rosetta Evolutionary Ligand (REvoLd) ---------------- Merge commit message: Added try catch to revold app

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branch: rosetta:commits 「№20637」
Commited by: Rocco Moretti
GitHub commit link: 「c4410d087fd76508」
Difference from previous tested commit:  code diff
Commit date: 2025-01-17 23:39:15
code_quality.clang_tidy integration.addsan integration.ubsan integration.valgrind scientific.glycan_structure_prediction scientific.mp_f19_decoy_discrimination.debug scientific.mp_f19_decoy_discrimination scientific.mp_f19_tilt_angle.debug scientific.mp_f19_tilt_angle scientific.peptide_pnear_vs_ic50.debug scientific.peptide_pnear_vs_ic50 scientific.protein_data_bank_diagnostic.cif scientific.protein_data_bank_diagnostic.full scientific.simple_cycpep_predict.debug scientific.simple_cycpep_predict unit.valgrind

Attempt to fix failing tests in main. (#299) This PR attempts to address (in part) the following failures: * code_template_tests_src integration -- Update test (and script documentation) for the new scheme * unit valgrind -- fix for Python3 * clang tidy -- update NULL/nullptr * mp_f19_tilt_angle scientific -- Make more robust, and remove unneeded (for the scientific test) repacking step added with RosettaCommons/main#5551 * protein_data_bank_diagnostic scientific -- Errors are due to running out of pseudotty handles, attempt to recognize that situation and use a fall-back approach. * glycan_structure_prediction scientific -- Adjust number of processors and runtime to run on single node. I've also made some changes to better support the GCC 11 & Rocky9 build I'm now doing locally. I've also attempted to fix the replica_docking MPI integration test timeout, but there some additional issues which mean it's not quite working correctly.

...


branch: rosetta:commits 「№20636」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№299」
Merge: 「a1e0e9908」「65d53cb5c」  code diff
Scheduled at: 2025-01-17 18:36:57.110254
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
mac.clang.python38.PyRosetta.unit ubuntu.clang.cxx11thread.serialization.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 №299 RosettaCommons/rosetta/main ← roccomoretti/rosetta/master_fix Merge: a1e0e9908af05092868be83ae85c6c7c4b04fcf6←65d53cb5c48ce3098a0fa59fab7e4ae71d327e6b Attempt to fix failing tests in main. ---------------- Merge commit message: Beautify



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