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Clean up README and add dpti logo#149

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Yi-FanLi merged 3 commits into
deepmodeling:develfrom
Yi-FanLi:readme-cleanup-logo
Jul 5, 2026
Merged

Clean up README and add dpti logo#149
Yi-FanLi merged 3 commits into
deepmodeling:develfrom
Yi-FanLi:readme-cleanup-logo

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@Yi-FanLi

@Yi-FanLi Yi-FanLi commented Jul 5, 2026

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Summary

  • Replace the old README with a concise overview, installation instructions, workflow summary, command examples, and license/citation information.
  • Remove outdated Airflow-focused usage text from the main README while noting that legacy DAG helpers remain in the repository.
  • Add light/dark SVG logo assets and a README header following the DeePMD-kit style.

Tests

  • Validated the new SVG logo files with Python XML parsing.

Summary by CodeRabbit

  • Documentation
    • Reworked the README into a shorter, CLI-focused user guide with clearer installation steps, workflow overview, command examples, and JSON-based usage notes.
    • Added a command reference for the main tools, including one-step and multi-step examples.
    • Updated guidance on legacy workflow support, documentation build steps, and test commands.
    • Added a brief page describing the project logo.

@codecov

codecov Bot commented Jul 5, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 0.00%. Comparing base (4a6fed5) to head (eeaf787).
⚠️ Report is 2 commits behind head on devel.

Additional details and impacted files
@@          Coverage Diff          @@
##           devel    #149   +/-   ##
=====================================
  Coverage   0.00%   0.00%           
=====================================
  Files         25      25           
  Lines       6325    6325           
=====================================
  Misses      6325    6325           

☔ View full report in Codecov by Harness.
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coderabbitai Bot commented Jul 5, 2026

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Review details
⚙️ Run configuration

Configuration used: Organization UI

Review profile: CHILL

Plan: Pro

Run ID: fded2458-07b1-4e98-b1cc-9bcfd6fa4631

📥 Commits

Reviewing files that changed from the base of the PR and between 402f89e and eeaf787.

⛔ Files ignored due to path filters (1)
  • doc/_static/logo.png is excluded by !**/*.png
📒 Files selected for processing (1)
  • README.md
📝 Walkthrough

Walkthrough

README.md is substantially rewritten and condensed into a concise CLI-focused guide covering installation, workflow, and command examples for equi, hti, ti, and gdi. A new doc/logo.md file is added describing the project logo's design.

Changes

Documentation Rewrite

Layer / File(s) Summary
README restructure into CLI guide
README.md
README is rewritten with logo/header, package description, features, installation steps, a five-step workflow, a CLI module table, and shortened command examples for equi, hti, ti, and gdi, removing prior extensive Airflow, JSON schema, and FAQ content.
Logo description doc
doc/logo.md
New file describing the dpti logo's boxed phase-diagram motif, wordmark, and triple-point conceptual basis.

Estimated code review effort: 1 (Trivial) | ~5 minutes

🚥 Pre-merge checks | ✅ 5
✅ Passed checks (5 passed)
Check name Status Explanation
Description Check ✅ Passed Check skipped - CodeRabbit’s high-level summary is enabled.
Title check ✅ Passed The title accurately captures the main changes: a README cleanup and the addition of dpti logo documentation/assets.
Docstring Coverage ✅ Passed No functions found in the changed files to evaluate docstring coverage. Skipping docstring coverage check.
Linked Issues check ✅ Passed Check skipped because no linked issues were found for this pull request.
Out of Scope Changes check ✅ Passed Check skipped because no linked issues were found for this pull request.

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Actionable comments posted: 1

🤖 Prompt for all review comments with AI agents
Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

Inline comments:
In `@doc/logo.md`:
- Around line 3-5: Tighten the wording in the logo description by updating the
“free-energy based” phrase to “free-energy-based” in the prose that describes
the dpti wordmark and phase-diagram motif. Make this small wording change
directly in the markdown text so the description reads consistently and matches
the intended hyphenation.
🪄 Autofix (Beta)

Fix all unresolved CodeRabbit comments on this PR:

  • Push a commit to this branch (recommended)
  • Create a new PR with the fixes

ℹ️ Review info
⚙️ Run configuration

Configuration used: Organization UI

Review profile: CHILL

Plan: Pro

Run ID: f7f5f20d-eff6-47d7-bf9a-e758a1fce3d0

📥 Commits

Reviewing files that changed from the base of the PR and between 90d623d and 402f89e.

⛔ Files ignored due to path filters (2)
  • doc/_static/logo-dark.svg is excluded by !**/*.svg
  • doc/_static/logo.svg is excluded by !**/*.svg
📒 Files selected for processing (2)
  • README.md
  • doc/logo.md

Comment thread doc/logo.md
Comment on lines +3 to +5
The dpti logo combines a boxed phase-diagram motif with the dpti wordmark. The
three phase boundaries meet at a triple point, reflecting the package's focus on
free-energy based phase-diagram calculations.

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📐 Maintainability & Code Quality | 🟡 Minor | ⚡ Quick win

Tighten the hyphenation here.

free-energy-based reads cleaner than free-energy based.

♻️ Proposed fix
-... reflecting the package's focus on
-free-energy based phase-diagram calculations.
+... reflecting the package's focus on
+free-energy-based phase-diagram calculations.
📝 Committable suggestion

‼️ IMPORTANT
Carefully review the code before committing. Ensure that it accurately replaces the highlighted code, contains no missing lines, and has no issues with indentation. Thoroughly test & benchmark the code to ensure it meets the requirements.

Suggested change
The dpti logo combines a boxed phase-diagram motif with the dpti wordmark. The
three phase boundaries meet at a triple point, reflecting the package's focus on
free-energy based phase-diagram calculations.
The dpti logo combines a boxed phase-diagram motif with the dpti wordmark. The
three phase boundaries meet at a triple point, reflecting the package's focus on
free-energy-based phase-diagram calculations.
🧰 Tools
🪛 LanguageTool

[grammar] ~5-~5: Use a hyphen to join words.
Context: ...cting the package's focus on free-energy based phase-diagram calculations.

(QB_NEW_EN_HYPHEN)

🤖 Prompt for AI Agents
Verify each finding against current code. Fix only still-valid issues, skip the
rest with a brief reason, keep changes minimal, and validate.

In `@doc/logo.md` around lines 3 - 5, Tighten the wording in the logo description
by updating the “free-energy based” phrase to “free-energy-based” in the prose
that describes the dpti wordmark and phase-diagram motif. Make this small
wording change directly in the markdown text so the description reads
consistently and matches the intended hyphenation.

Source: Linters/SAST tools

@Yi-FanLi Yi-FanLi merged commit a290d2b into deepmodeling:devel Jul 5, 2026
6 of 7 checks passed
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