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Add cage optimisation example with openmm #344

Add cage optimisation example with openmm

Add cage optimisation example with openmm #344

Triggered via pull request October 8, 2024 17:01
Status Failure
Total duration 5m 53s
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tests.yml

on: pull_request
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1 error and 12 warnings
mypy
Process completed with exit code 2.
ruff
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, actions/setup-python@v4. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
ruff-format
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, actions/setup-python@v4. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
mypy
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, actions/setup-python@v4. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
doctest
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, conda-incubator/setup-miniconda@v2. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
Mambaforge is now deprecated!
Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/.
doctest
Mamba support is still experimental and can result in differently solved environments!
pytest
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, conda-incubator/setup-miniconda@v2. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
Mambaforge is now deprecated!
Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/.
pytest
Mamba support is still experimental and can result in differently solved environments!
example-tests
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, conda-incubator/setup-miniconda@v2. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
Mambaforge is now deprecated!
Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/.
example-tests
Mamba support is still experimental and can result in differently solved environments!