fix: allow ccd residues with missing coords #733
davegraystest_and_deploy.yml
on: pull_request
Build CCD and wheel for reusing it in several CI jobs
4m 33s
Generate wheels matrix
12s
Check code style
9s
Build source distribution
25s
Test interfaces to databases and applications
3m 36s
Test interface to Muscle 5
1m 1s
Matrix: Build & Test
Upload documentation to GitHub Releases and documentation website
0s
Upload package to GitHub Releases & PyPI
0s
Annotations
16 errors and 12 warnings
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Build & Test (cp312-win_amd64, windows-latest)
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Build & Test (cp311-win_amd64, windows-latest)
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Build & Test (cp310-win_amd64, windows-latest)
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Build & Test (cp313-win_amd64, windows-latest)
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Build & Test (cp311-manylinux_x86_64, ubuntu-latest)
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Run benchmarks
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Build documentation
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Build documentation
The operation was canceled.
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Build & Test (cp312-macosx_x86_64, macos-latest)
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Build & Test (cp312-manylinux_x86_64, ubuntu-latest)
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Build & Test (cp313-macosx_arm64, macos-latest)
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Build & Test (cp313-macosx_x86_64, macos-latest)
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Build & Test (cp310-macosx_x86_64, macos-latest)
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Build & Test (cp313-manylinux_x86_64, ubuntu-latest)
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Build & Test (cp311-macosx_x86_64, macos-latest)
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Build & Test (cp310-manylinux_x86_64, ubuntu-latest)
Canceling since a higher priority waiting request for 'CI & CD-fix/allow-all-ccd-residues' exists
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Check code style
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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Generate wheels matrix
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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Build CCD and wheel for reusing it in several CI jobs
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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Upload CCD to GitHub Releases
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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Build source distribution
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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Test interface to Muscle 5
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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Test interface to Muscle 5
The 'defaults' channel might have been added implicitly. If this is intentional, add 'defaults' to the 'channels' list. Otherwise, consider setting 'conda-remove-defaults' to 'true'.
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Test interfaces to databases and applications
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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Test interfaces to databases and applications
/home/runner/miniconda3/lib/python3.12/site-packages/conda/base/context.py:201: FutureWarning: Adding 'defaults' to channel list implicitly is deprecated and will be removed in 25.3.
To remove this warning, please choose a default channel explicitly with conda's regular configuration system, e.g. by adding 'defaults' to the list of channels:
conda config --add channels defaults
For more information see https://docs.conda.io/projects/conda/en/stable/user-guide/configuration/use-condarc.html
deprecated.topic(
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Test interfaces to databases and applications
The 'defaults' channel might have been added implicitly. If this is intentional, add 'defaults' to the 'channels' list. Otherwise, consider setting 'conda-remove-defaults' to 'true'.
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Build documentation
/home/runner/miniconda3/lib/python3.12/site-packages/conda/base/context.py:201: FutureWarning: Adding 'defaults' to channel list implicitly is deprecated and will be removed in 25.3.
To remove this warning, please choose a default channel explicitly with conda's regular configuration system, e.g. by adding 'defaults' to the list of channels:
conda config --add channels defaults
For more information see https://docs.conda.io/projects/conda/en/stable/user-guide/configuration/use-condarc.html
deprecated.topic(
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Build documentation
The 'defaults' channel might have been added implicitly. If this is intentional, add 'defaults' to the 'channels' list. Otherwise, consider setting 'conda-remove-defaults' to 'true'.
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Artifacts
Produced during runtime
| Name | Size | |
|---|---|---|
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ccd
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33.3 MB |
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internal-build
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49.8 MB |
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release-cp310-macosx_arm64
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36.7 MB |
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release-cp311-macosx_arm64
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36.7 MB |
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release-cp312-macosx_arm64
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36.7 MB |
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release-sdist
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33.8 MB |
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