execute notebooks on mybinder

[jan-janssen]

Summary by CodeRabbit

• New Features

  • The HPC instructional content has been updated to use the Flux framework for cluster and job management. Users will now find enhanced guidance and examples demonstrating task submission and resource management under Flux.

• Chores

  • Environment configuration has been revised with updated execution settings and a minor Python version update to ensure smooth operation and compatibility.

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Walkthrough

This pull request updates two Jupyter notebooks to transition from the SLURM-based HPC execution system to the Flux framework. The first notebook completely replaces its content to introduce the FluxClusterExecutor along with updated code examples and documentation referencing the Flux framework. The second notebook undergoes metadata updates by switching its kernel specification to Flux and bumping the Python version.

Changes

File(s)	Change Summary
notebooks/2-hpc-cluster.ipynb	Replaced entire content to introduce FluxClusterExecutor; changed all SLURM references to Flux; updated metadata with kernel display name set to "Flux".
notebooks/3-hpc-job.ipynb	Updated metadata: changed kernel specification from Python 3 (ipykernel) to Flux and updated Python version from 3.12.5 to 3.12.9; cell content remains unchanged.

Sequence Diagram(s)

sequenceDiagram
    participant User
    participant Notebook
    participant Executor as FluxClusterExecutor
    participant Flux as Flux Framework

    User->>Notebook: Execute HPC Notebook
    Notebook->>Executor: Submit job/task
    Executor->>Flux: Allocate resources & schedule job
    Flux-->>Executor: Return job status/result
    Executor-->>Notebook: Deliver task result

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Possibly related PRs

• Update Documentation #558: Aligns kernel specifications and executor naming from SLURM to Flux, impacting both updated notebooks.

Poem

Hop, hop, in code I bound,
Flux now brings a joyful sound,
From clusters old to futures new,
My whiskers twitch at every cue,
A bunny's joy in bytes profound! 🐇

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Plan: Pro

📥 Commits

Reviewing files that changed from the base of the PR and between bc22e86 and 7c281a2.

📒 Files selected for processing (2)

• notebooks/2-hpc-cluster.ipynb (1 hunks)
• notebooks/3-hpc-job.ipynb (1 hunks)

⏰ Context from checks skipped due to timeout of 90000ms (15)

• GitHub Check: unittest_openmpi (ubuntu-latest, 3.13)
• GitHub Check: unittest_openmpi (ubuntu-latest, 3.11)
• GitHub Check: unittest_openmpi (ubuntu-latest, 3.12)
• GitHub Check: unittest_openmpi (macos-latest, 3.13)
• GitHub Check: unittest_old
• GitHub Check: unittest_flux_mpich
• GitHub Check: notebooks
• GitHub Check: unittest_mpich (ubuntu-latest, 3.11)
• GitHub Check: unittest_mpich (ubuntu-latest, 3.13)
• GitHub Check: unittest_mpich (ubuntu-latest, 3.12)
• GitHub Check: benchmark (ubuntu-latest, 3.13, .ci_support/environment-mpich.yml)
• GitHub Check: unittest_mpich (macos-latest, 3.13)
• GitHub Check: benchmark (ubuntu-latest, 3.13, .ci_support/environment-openmpi.yml)
• GitHub Check: unittest_flux_openmpi
• GitHub Check: unittest_win

🔇 Additional comments (2)

notebooks/3-hpc-job.ipynb (1)

1-1: Updated Notebook Metadata for Flux Execution
The metadata now correctly reflects the new execution environment with the updated kernelspec ("name": "flux", "display_name": "Flux") and Python version "3.12.9". Please verify that MyBinder supports this Flux kernel configuration during notebook execution.

notebooks/2-hpc-cluster.ipynb (1)

1-1: Revised Metadata to Support Flux Environment
The notebook’s metadata has been updated to use the Flux kernel and the Python version has been bumped to 3.12.9. This aligns with the overall migration from SLURM to Flux. Ensure that this configuration is recognized by MyBinder for proper execution.

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[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 96.40%. Comparing base (ff521c1) to head (7c281a2).
Report is 3 commits behind head on main.

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #610   +/-   ##
=======================================
  Coverage   96.40%   96.40%           
=======================================
  Files          28       28           
  Lines        1252     1252           
=======================================
  Hits         1207     1207           
  Misses         45       45           

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