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pyiron / pysqa

Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
https://pysqa.readthedocs.io
BSD 3-Clause "New" or "Revised" License
22 stars 7 forks source link

Update examples #348

Closed jan-janssen closed 1 week ago

jan-janssen commented 1 week ago

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review-notebook-app[bot] commented 1 week ago

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coderabbitai[bot] commented 1 week ago

Walkthrough

The pull request introduces several modifications across various files, primarily focusing on updates to the execution of Jupyter notebooks, documentation enhancements, and structural changes in the README and other documentation files. Notably, the workflow for running notebooks has been adjusted to include new examples, and the README has been reorganized to clarify the Python Simple Queuing System Adapter (pysqa). Additionally, new notebooks have been created to demonstrate the usage of the QueueAdapter class, improving the overall documentation and examples provided.

Changes

Files Change Summary
.github/workflows/notebooks.yml Updated commands to execute example_config.ipynb and example_queue_type.ipynb, with corresponding output files changed to example-config-out.ipynb and example-queue-type-out.ipynb.
README.md Modified links and references for pysqa, splitting "Python Interface" into "Python Interface Dynamic" and "Python Interface Config" with specific job management links.
docs/_toc.yml Removed chapter for example.ipynb and added chapters for example_queue_type.ipynb and example_config.ipynb.
docs/installation.md Minor textual modification for clarity in installation instructions.
docs/queue.md Updated documentation to clarify the usage of templates and parameters in pysqa, including detailed descriptions for various queuing systems.
notebooks/example_config.ipynb Reformatted markdown headers for better organization within the notebook.
notebooks/example_queue_type.ipynb Introduced a new notebook demonstrating the QueueAdapter class and its functionalities for job management in queuing systems.

Possibly related PRs

🐰 In the meadow, changes bloom,
New notebooks chase away the gloom.
With pysqa now more clear and bright,
We hop along, our work in sight.
Templates and queues, all in a row,
A joyful leap, let knowledge grow! 🌼

📜 Recent review details **Configuration used: CodeRabbit UI** **Review profile: CHILL**
📥 Commits Files that changed from the base of the PR and between 2f1f9b6e946ba46e0635e647da8696d259acf0e4 and 9cb4b1a5f42df5805276ac4f52353dc24570c6c5.
📒 Files selected for processing (1) * .github/workflows/notebooks.yml (1 hunks)
🚧 Files skipped from review as they are similar to previous changes (1) * .github/workflows/notebooks.yml
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