Pull Request №52 RosettaCommons/rosetta/main ← roccomoretti/rosetta/fix_windows Merge: 693d5b3c1f74469530bab2df8a9029f6d1db6d85←029d3924e97d79c942c9a22dcd36cf035215402b Fix windows build. ---------------- Merge commit message: Better preprocessor defines?

• Summary

Pull Request №52 RosettaCommons/rosetta/main ← roccomoretti/rosetta/fix_windows Merge: 693d5b3c1f74469530bab2df8a9029f6d1db6d85←9a04b1341bf03e8deec74861a95ce01338eaf9ca Fix windows build. ---------------- Merge commit message: Fix windows build. Make use of POSIX header platform dependent. I believe that io.h is the Windows equivalent for getting the read() function.

• Summary

Pull Request №51 RosettaCommons/rosetta/main ← roccomoretti/rosetta/fix_benchmark_imp Merge: 693d5b3c1f74469530bab2df8a9029f6d1db6d85←d4974e9386edf6b3882c8ba559a517bcba5de549 Update benchmark scripts for Python3.12. ---------------- Merge commit message: Update to use the importlib instead.

• Summary
• integration.mpi 「1」
• integration.release_debug 「1」
• scientific.mp_f19_ddG_of_mutation.debug
• windows.none.self.release
• nil.none.self.subtests 「10」
• windows.none.self.subtests 「10」
• windows.build.debug
• windows.build.release

Pull Request №51 RosettaCommons/rosetta/main ← roccomoretti/rosetta/fix_benchmark_imp Merge: 693d5b3c1f74469530bab2df8a9029f6d1db6d85←2890980d248dcf55983cd6635a630949717b371d Update benchmark scripts for Python3.12. ---------------- Merge commit message: Update benchmark scripts for Python3.12. Python 3.12 gets rid of the module. Moreover, it gets rid of the imp.load_source() altogether. We thus need to change around how we do the magic 'import from parent directory' statement.

• Summary
• integration.mpi 「1」
• integration.release_debug 「1」
• release.source
• scientific.mp_f19_ddG_of_mutation.debug

Pull Request №48 RosettaCommons/rosetta/main ← roccomoretti/rosetta/fix_scientific_tests Merge: 80e656e7195c7a4f4789cf4efe8bfcef85ead1d4←0afeba9a076dbddeb120d1ee85290082ad390609 Fix scientific tests ---------------- Merge commit message: Attempt to fix mp_f19_ddG_of_mutation scientific test with dependency update.

• Summary
• ubuntu-20.04.clang.python312.scientific.mp_f19_ddG_of_mutation.debug
• ubuntu-20.04.clang.python36.scientific.mp_f19_ddG_of_mutation.debug

Pull Request №24 RosettaCommons/rosetta/main ← tydingcw/rosetta/crosslinkmover_lanthionine Merge: 80e656e7195c7a4f4789cf4efe8bfcef85ead1d4←b4975af05ed681d1fdfa99bc1e37985cb105412e Crosslinker Mover lanthionine ---------------- Merge commit message: Merge branch 'main' of github.com:tydingcw/rosetta into crosslinkmover_lanthionine

• Summary
• integration.mpi 「3」
• integration.release_debug 「14」
• integration.tensorflow 「1」
• integration.thread 「1」
• integration 「13」
• windows.build.debug
• windows.build.release

Pull Request №50 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/lyskov-patch-1 Merge: 80e656e7195c7a4f4789cf4efe8bfcef85ead1d4←9df249f5054179d953f375eeb560b764e1157029 Update benchmark.py, add how-to-fix explanation to warning message ---------------- Merge commit message: Update benchmark.py, add how-to-fix explanation to warning message

• Summary
• integration.release_debug 「2」

Pull Request №48 RosettaCommons/rosetta/main ← roccomoretti/rosetta/fix_scientific_tests Merge: 80e656e7195c7a4f4789cf4efe8bfcef85ead1d4←4567c1ec28a938916e3d11ec460209dd1f094bd1 Fix scientific tests ---------------- Merge commit message: Fix typo

• Summary
• ubuntu-20.04.clang.python312.scientific.mp_f19_ddG_of_mutation.debug
• ubuntu-20.04.clang.python36.scientific.mp_f19_ddG_of_mutation.debug

Pull Request №49 RosettaCommons/rosetta/main ← roccomoretti/rosetta/mp_f19_relax_test Merge: 80e656e7195c7a4f4789cf4efe8bfcef85ead1d4←12a71781407546b6ebd1158dd0125355460058e3 Test and fix for mp_f19_decoy_discrimination failure ---------------- Merge commit message: Merge remote-tracking branch 'origin/main' into mp_f19_relax_test

• Summary
• integration.mpi 「1」
• integration.release_debug 「2」
• integration 「1」
• ubuntu-20.04.clang.python312.scientific.mp_f19_decoy_discrimination.debug
• ubuntu-20.04.clang.python312.scientific.mp_f19_decoy_discrimination
• ubuntu-20.04.clang.python36.scientific.mp_f19_decoy_discrimination
• 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.

• Summary
• integration.mpi 「1」
• integration.release_debug 「2」
• integration 「1」

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

• Summary

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.

• Summary
• scientific.mp_f19_ddG_of_mutation.debug

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

• Summary
• integration.mpi 「3」
• integration.release_debug 「0」
• integration.tensorflow 「0」
• integration.thread 「0」
• integration.torch
• integration 「0」
• performance 「0」
• profile 「0」
• linux.clang.score 「0」
• linux.gcc.score 「0」
• mac.clang.score 「0」

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)

• Summary

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.

• Summary

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

• Summary
• integration.mpi 「3」
• integration.release_debug 「1」
• integration.tensorflow 「0」
• integration.thread 「0」
• integration.torch
• integration 「0」
• performance 「0」
• profile 「0」
• linux.clang.score 「0」
• linux.gcc.score 「0」
• mac.clang.score 「0」

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