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Use rdkit for SSSR and RCs (bug fix + Python upgrade) #6169

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Use rdkit for SSSR and RCs (bug fix + Python upgrade)

Use rdkit for SSSR and RCs (bug fix + Python upgrade) #6169

Triggered via pull request February 13, 2026 16:10
@JacksonBurnsJacksonBurns
synchronize #2796
feat/rdkit_sssr
Status Cancelled
Total duration 1h 28m 10s
Artifacts 3

CI.yml

on: pull_request
Matrix: build-and-test
Regression Test
53m 19s
Regression Test
build-and-push-docker
build-and-push-docker
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20 errors and 9 warnings
Python 3.10 ubuntu-latest Build and Test with RMS
Process completed with exit code 1.
Python 3.11 ubuntu-latest Build and Test with RMS
Process completed with exit code 1.
Python 3.11 ubuntu-latest Build and Test
Process completed with exit code 2.
Python 3.10 ubuntu-latest Build and Test
Process completed with exit code 2.
Python 3.9 ubuntu-latest Build and Test
Process completed with exit code 2.
Python 3.9 ubuntu-latest Build and Test with RMS
Process completed with exit code 2.
Python 3.9 macos-15-intel Build and Test with RMS
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.9 macos-15-intel Build and Test
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.10 macos-latest Build and Test with RMS
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.9 macos-latest Build and Test
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.10 macos-latest Build and Test
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.10 macos-15-intel Build and Test with RMS
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.11 macos-15-intel Build and Test with RMS
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.11 macos-latest Build and Test
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.10 macos-15-intel Build and Test
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.11 macos-15-intel Build and Test
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.11 macos-latest Build and Test with RMS
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.9 macos-latest Build and Test with RMS
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.9 macos-latest Build and Test with RMS
The operation was canceled.
Continuous Integration
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.10 ubuntu-latest Build and Test with RMS
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.11 ubuntu-latest Build and Test with RMS
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.11 ubuntu-latest Build and Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.10 ubuntu-latest Build and Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.9 ubuntu-latest Build and Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Regression Test
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.9 ubuntu-latest Build and Test with RMS
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.
Python 3.9 macos-latest Build and Test with RMS
warning libmamba [pyutilib-6.0.0-pyh9f0ad1d_0] The following files were already present in the environment: - bin/replaceCopyright - bin/checkCopyright
Python 3.9 macos-latest Build and Test with RMS
'nodefaults' channel detected: will remove 'defaults' if added implicitly. In the future, 'nodefaults' to remove 'defaults' won't be supported. Please set 'conda-remove-defaults' = 'true' in setup-miniconda to remove this warning.

Artifacts

Produced during runtime
Name Size Digest
dynamic_regression_results
5.84 MB
sha256:4c654a0b6f9fa00256c75541c56a581748a6c60d3cd2f169a79f3987932a6371
regression_summary
11.9 KB
sha256:e1149770429ccca6ba75f1e68c9ce403df6a6c67abe6e8ef7c0495866604cdd6
regression_test_comparison_results
12 KB
sha256:4e4ac26a298157df9805b7b08f49ba2e653b5f63477b44047a7ae3523ca1174c