fix: allow ccd residues with missing coords #734
davegraystest_and_deploy.yml
on: pull_request
Build CCD and wheel for reusing it in several CI jobs
4m 51s
Generate wheels matrix
8s
Check code style
8s
Build source distribution
31s
Test interfaces to databases and applications
3m 46s
Test interface to Muscle 5
1m 2s
Matrix: Build & Test
Upload documentation to GitHub Releases and documentation website
0s
Upload package to GitHub Releases & PyPI
12s
Annotations
19 warnings
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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
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 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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Run benchmarks
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 & Test (cp312-manylinux_x86_64, ubuntu-latest)
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 & Test (cp311-manylinux_x86_64, ubuntu-latest)
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 & Test (cp313-manylinux_x86_64, ubuntu-latest)
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 & Test (cp310-manylinux_x86_64, ubuntu-latest)
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 package to GitHub Releases & PyPI
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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Artifacts
Produced during runtime
| Name | Size | |
|---|---|---|
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ccd
|
33.3 MB |
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documentation
|
74.4 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-cp310-macosx_x86_64
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36.9 MB |
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release-cp310-manylinux_x86_64
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49.5 MB |
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release-cp310-win_amd64
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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-cp311-macosx_x86_64
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36.9 MB |
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release-cp311-manylinux_x86_64
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50.5 MB |
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release-cp311-win_amd64
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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-cp312-macosx_x86_64
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36.9 MB |
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release-cp312-manylinux_x86_64
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52.2 MB |
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release-cp312-win_amd64
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36.6 MB |
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release-cp313-macosx_arm64
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36.7 MB |
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release-cp313-macosx_x86_64
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36.9 MB |
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release-cp313-manylinux_x86_64
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52 MB |
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release-cp313-win_amd64
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36.6 MB |
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release-sdist
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33.8 MB |
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