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Feat/update vdw radii #790

Feat/update vdw radii

Feat/update vdw radii #790

Triggered via pull request February 3, 2025 09:39
Status Cancelled
Total duration 8m 12s
Artifacts 3

test_and_deploy.yml

on: pull_request
Build CCD and wheel for reusing it in several CI jobs
5m 7s
Build CCD and wheel for reusing it in several CI jobs
Generate wheels matrix
9s
Generate wheels matrix
Check code style
11s
Check code style
Build documentation
1m 58s
Build documentation
Build source distribution
24s
Build source distribution
Test interfaces to databases and applications
2m 19s
Test interfaces to databases and applications
Test interface to Muscle 5
1m 3s
Test interface to Muscle 5
Run benchmarks
2m 21s
Run benchmarks
Upload CCD to GitHub Releases
2s
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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20 errors and 5 warnings
Build documentation
Process completed with exit code 2.
Build & Test (cp313-macosx_arm64, macos-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp313-macosx_x86_64, macos-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp312-macosx_x86_64, macos-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp313-win_amd64, windows-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp312-win_amd64, windows-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp311-win_amd64, windows-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp310-win_amd64, windows-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp312-manylinux_x86_64, ubuntu-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp311-manylinux_x86_64, ubuntu-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Test interfaces to databases and applications
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Test interfaces to databases and applications
The operation was canceled.
Build & Test (cp310-manylinux_x86_64, ubuntu-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp312-macosx_arm64, macos-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp311-macosx_arm64, macos-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp310-macosx_arm64, macos-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Run benchmarks
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp311-macosx_x86_64, macos-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp310-macosx_x86_64, macos-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
Build & Test (cp313-manylinux_x86_64, ubuntu-latest)
Canceling since a higher priority waiting request for 'CI & CD-feat/update_vdw_radii' exists
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'.
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'.
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'.

Artifacts

Produced during runtime
Name Size Digest
ccd Expired
33.5 MB
sha256:41b4d7e2af8119ae3b564231effc62a36ec57d6595d303a9f1f00c5b75d98ab1
internal-build Expired
49.9 MB
sha256:be2f63a1be901016cd806fc6da9bc531f02b35cc977aa4a13d765fee426b4931
release-sdist Expired
34 MB
sha256:1074b6921a4a14730a77d0933ced4a2a0fb49324bc3b578c68b0f7ff4d798fb2