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Use rdkit for SSSR and RCs (bug fix + Python upgrade) #6170

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

Use rdkit for SSSR and RCs (bug fix + Python upgrade) #6170

Triggered via pull request February 13, 2026 17:38
Status Cancelled
Total duration 53m 22s
Artifacts

CI.yml

on: pull_request
Matrix: build-and-test
Regression Test
8m 20s
Regression Test
build-and-push-docker
0s
build-and-push-docker
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20 errors and 7 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 3.9 ubuntu-latest Build and Test with RMS
Process completed with exit code 1.
Regression Test
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 macos-15-intel Build and Test with RMS
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
Python 3.10 macos-latest Build and Test
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 3.11 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-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 with RMS
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-15-intel 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-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 3.9 macos-latest Build and Test
Canceling since a higher priority waiting request for Continuous Integration-refs/pull/2796/merge exists
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 3.9 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.
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 3.11 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.