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docs: clarify local Slurm configuration - #399

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docs: clarify local Slurm configuration#399
njzjz-bot wants to merge 1 commit into
deepmodeling:masterfrom
njzjz-bot:docs/issue-289-local-slurm

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@njzjz-bot njzjz-bot commented Aug 23, 2026

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Summary

  • set the maintained Slurm example to credential-free local dflow orchestration
  • document that dflow, S3, and Bohrium sections may be null in local debug mode
  • explain the SSH, Slurm, queue, resource, path, and command fields that remain site-specific
  • include the Slurm input in example normalization tests

Tests

  • PYTHONPATH=tests python -m unittest -v tests.test_check_examples
  • ruff format --check on changed Python files
  • isort --check-only on changed Python files
  • python -m json.tool examples/water/input_dpgen_slurm.json
  • git diff --check

Closes #289

Coding agent: Codex
Codex version: codex-cli 0.149.0
Model: gpt-5.6-sol
Reasoning effort: xhigh

Summary by CodeRabbit

  • Documentation

    • Added guidance for running the orchestrator locally while dispatching computational tasks to Slurm over SSH.
    • Documented environment setup, configuration, executor resources, and site-specific deployment requirements.
    • Clarified that certain storage configurations may be omitted during local debugging when artifacts remain on the submission host.
  • Examples

    • Updated the Slurm water example for local execution without remote project credentials.
  • Tests

    • Added the updated Slurm example to automated example validation.

@dosubot dosubot Bot added size:L This PR changes 100-499 lines, ignoring generated files. documentation Improvements or additions to documentation labels Aug 23, 2026
@coderabbitai

coderabbitai Bot commented Aug 23, 2026

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Review Change Stack

No actionable comments were generated in the recent review. 🎉

ℹ️ Recent review info
⚙️ Run configuration

Configuration used: Organization UI

Review profile: CHILL

Plan: Pro Plus

Run ID: 99208f8d-12d7-4482-97f3-ad5d67f6b7c8

📥 Commits

Reviewing files that changed from the base of the PR and between 6b01f29 and 7e10410.

📒 Files selected for processing (4)
  • docs/quickcli.md
  • dpgen2/entrypoint/args.py
  • examples/water/input_dpgen_slurm.json
  • tests/test_check_examples.py

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📝 Walkthrough

Walkthrough

The change documents local dpgen2 execution with Slurm task dispatch over SSH. It allows null dflow configurations for local debugging, updates the Slurm example, and adds that example to validation tests.

Changes

Local Slurm execution

Layer / File(s) Summary
Configuration guidance and example validation
dpgen2/entrypoint/args.py, docs/quickcli.md, examples/water/input_dpgen_slurm.json, tests/test_check_examples.py
The documentation describes nullable local-debug configurations, SSH-based Slurm dispatch, resource settings, and artifact handling. The water example sets bohrium_config to null, and the example test validates its loading and normalization.

Estimated code review effort: 2 (Simple) | ~10 minutes

Merge Risk: ⚪ Minimal · up to 7e104

This localized documentation, example, argument-help, and normalization-test update introduces no actionable merge-blocking risk and is merge-ready after normal checks and review.

🚥 Pre-merge checks | ✅ 4 | ❌ 1

❌ Failed checks (1 warning)

Check name Status Explanation Resolution
Docstring Coverage ⚠️ Warning Docstring coverage is 0.00% which is insufficient. The required threshold is 80.00%. Docstring coverage is scoped to functions touched by this diff. Analyzed 1 functions across 2 files. (2 skipped: 2 … Write docstrings for the functions missing them to satisfy the coverage threshold.
✅ Passed checks (4 passed)
Check name Status Explanation
Description Check ✅ Passed Check skipped - CodeRabbit’s high-level summary is enabled.
Title check ✅ Passed The title clearly describes the primary change: clarifying local Slurm configuration for dpgen2.
Linked Issues check ✅ Passed The changes address issue #289 by documenting local Slurm execution, nullable dflow and S3 settings, Bohrium configuration, and site-specific SSH, Slurm, queue, resource, path, and command parameters.
Out of Scope Changes check ✅ Passed All changes support the linked issue. The documentation, example configuration, and example normalization test are directly related to local Slurm orchestration.
Full details: Docstring Coverage

Explanation

Docstring coverage is 0.00% which is insufficient. The required threshold is 80.00%. Docstring coverage is scoped to functions touched by this diff. Analyzed 1 functions across 2 files. (2 skipped: 2 unsupported.)

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Use credential-free local dflow settings in the Slurm example and document the dispatcher fields that remain site-specific.

Coding-Agent: Codex
Codex-Version: codex-cli 0.149.1
Model: gpt-5.6-sol
Reasoning-Effort: xhigh
@njzjz-bot
njzjz-bot force-pushed the docs/issue-289-local-slurm branch from 603d441 to 7e10410 Compare August 26, 2026 11:00
@dosubot dosubot Bot added size:S This PR changes 10-29 lines, ignoring generated files. and removed size:L This PR changes 100-499 lines, ignoring generated files. labels Aug 26, 2026
@codecov

codecov Bot commented Aug 26, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 84.43%. Comparing base (6b01f29) to head (7e10410).

Additional details and impacted files
@@           Coverage Diff           @@
##           master     #399   +/-   ##
=======================================
  Coverage   84.43%   84.43%           
=======================================
  Files         104      104           
  Lines        6110     6110           
=======================================
  Hits         5159     5159           
  Misses        951      951           

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