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Add interface to RDKit #743

Add interface to RDKit

Add interface to RDKit #743

Triggered via pull request January 14, 2025 12:36
Status Failure
Total duration 21m 2s
Artifacts 20

test_and_deploy.yml

on: pull_request
Build CCD and wheel for reusing it in several CI jobs
4m 53s
Build CCD and wheel for reusing it in several CI jobs
Generate wheels matrix
8s
Generate wheels matrix
Check code style
9s
Check code style
Build documentation
4m 17s
Build documentation
Build source distribution
30s
Build source distribution
Test interfaces to databases and applications
1m 40s
Test interfaces to databases and applications
Test interface to Muscle 5
56s
Test interface to Muscle 5
Run benchmarks
8m 53s
Run benchmarks
Upload CCD to GitHub Releases
3s
Upload CCD to GitHub Releases
Matrix: Build & Test
Upload documentation to GitHub Releases and documentation website
0s
Upload documentation to GitHub Releases and documentation website
Upload package to GitHub Releases & PyPI
0s
Upload package to GitHub Releases & PyPI
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Annotations

1 error and 18 warnings
Test interfaces to databases and applications
Process completed with exit code 2.
Generate wheels matrix
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
Check code style
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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
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
Build source distribution
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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
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
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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(
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'.
Build documentation
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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(
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'.
Run benchmarks
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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
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
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
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

Artifacts

Produced during runtime
Name Size
ccd
33.3 MB
documentation
74.5 MB
internal-build
49.7 MB
release-cp310-macosx_arm64
36.7 MB
release-cp310-macosx_x86_64
37 MB
release-cp310-manylinux_x86_64
49.5 MB
release-cp310-win_amd64
36.7 MB
release-cp311-macosx_arm64
36.7 MB
release-cp311-macosx_x86_64
37 MB
release-cp311-manylinux_x86_64
50.5 MB
release-cp311-win_amd64
36.7 MB
release-cp312-macosx_arm64
36.7 MB
release-cp312-macosx_x86_64
36.9 MB
release-cp312-manylinux_x86_64
52.2 MB
release-cp312-win_amd64
36.6 MB
release-cp313-macosx_arm64
36.7 MB
release-cp313-macosx_x86_64
36.9 MB
release-cp313-manylinux_x86_64
52 MB
release-cp313-win_amd64
36.6 MB
release-sdist
33.8 MB