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Merge pull request #768 from padix-key/rdkit #873

Merge pull request #768 from padix-key/rdkit

Merge pull request #768 from padix-key/rdkit #873

Triggered via push March 8, 2025 14:08
Status Success
Total duration 33m 48s
Artifacts 20
Build CCD and wheel for reusing it in several CI jobs
4m 52s
Build CCD and wheel for reusing it in several CI jobs
Generate wheels matrix
9s
Generate wheels matrix
Check code style
17s
Check code style
Build documentation
6m 56s
Build documentation
Build source distribution
22s
Build source distribution
Test interfaces to databases and applications
6m 41s
Test interfaces to databases and applications
Test interface to Muscle 5
59s
Test interface to Muscle 5
Run benchmarks
9m 12s
Run benchmarks
Upload CCD to GitHub Releases
4s
Upload CCD to GitHub Releases
Matrix: Build & Test
Upload documentation to GitHub Releases and documentation website
Upload documentation to GitHub Releases and documentation website
Upload package to GitHub Releases & PyPI
8s
Upload package to GitHub Releases & PyPI
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Annotations

5 warnings
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'.
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'.
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(
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'.
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(

Artifacts

Produced during runtime
Name Size
ccd
33.9 MB
documentation
75.5 MB
internal-build
50.3 MB
release-cp310-macosx_arm64
37.3 MB
release-cp310-macosx_x86_64
37.5 MB
release-cp310-manylinux_x86_64
50.1 MB
release-cp310-win_amd64
37.3 MB
release-cp311-macosx_arm64
37.3 MB
release-cp311-macosx_x86_64
37.5 MB
release-cp311-manylinux_x86_64
51 MB
release-cp311-win_amd64
37.3 MB
release-cp312-macosx_arm64
37.3 MB
release-cp312-macosx_x86_64
37.5 MB
release-cp312-manylinux_x86_64
52.7 MB
release-cp312-win_amd64
37.2 MB
release-cp313-macosx_arm64
37.2 MB
release-cp313-macosx_x86_64
37.5 MB
release-cp313-manylinux_x86_64
52.6 MB
release-cp313-win_amd64
37.2 MB
release-sdist
34.3 MB