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Add explicit_hydrogen parameter #820

Add explicit_hydrogen parameter

Add explicit_hydrogen parameter #820

Triggered via pull request February 18, 2025 08:32
Status Failure
Total duration 22m 43s
Artifacts 20

test_and_deploy.yml

on: pull_request
Build CCD and wheel for reusing it in several CI jobs
4m 51s
Build CCD and wheel for reusing it in several CI jobs
Generate wheels matrix
10s
Generate wheels matrix
Check code style
11s
Check code style
Build documentation
4m 35s
Build documentation
Build source distribution
26s
Build source distribution
Test interfaces to databases and applications
3m 43s
Test interfaces to databases and applications
Test interface to Muscle 5
54s
Test interface to Muscle 5
Run benchmarks
9m 36s
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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Annotations

1 error and 9 warnings
Test interfaces to databases and applications
Process completed with exit code 1.
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
/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
/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 & Test (cp311-manylinux_x86_64, ubuntu-latest)
Failed to save: Failed to CreateCacheEntry: Received non-retryable error: Failed request: (409) Conflict: cache entry with the same key, version, and scope already exists
Build & Test (cp313-manylinux_x86_64, ubuntu-latest)
Failed to save: Failed to CreateCacheEntry: Received non-retryable error: Failed request: (409) Conflict: cache entry with the same key, version, and scope already exists
Build & Test (cp312-manylinux_x86_64, ubuntu-latest)
Failed to save: Failed to CreateCacheEntry: Received non-retryable error: Failed request: (409) Conflict: cache entry with the same key, version, and scope already exists
Build & Test (cp310-manylinux_x86_64, ubuntu-latest)
Failed to save: Failed to CreateCacheEntry: Received non-retryable error: Failed request: (409) Conflict: cache entry with the same key, version, and scope already exists

Artifacts

Produced during runtime
Name Size
ccd
33.6 MB
documentation
74.5 MB
internal-build
50 MB
release-cp310-macosx_arm64
37 MB
release-cp310-macosx_x86_64
37.2 MB
release-cp310-manylinux_x86_64
49.8 MB
release-cp310-win_amd64
37 MB
release-cp311-macosx_arm64
37 MB
release-cp311-macosx_x86_64
37.2 MB
release-cp311-manylinux_x86_64
50.7 MB
release-cp311-win_amd64
37 MB
release-cp312-macosx_arm64
37 MB
release-cp312-macosx_x86_64
37.2 MB
release-cp312-manylinux_x86_64
52.4 MB
release-cp312-win_amd64
36.9 MB
release-cp313-macosx_arm64
36.9 MB
release-cp313-macosx_x86_64
37.2 MB
release-cp313-manylinux_x86_64
52.3 MB
release-cp313-win_amd64
36.9 MB
release-sdist
34.1 MB