docs(skills): add dpdata driver and plugin skills#952
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Follow-up: ignored local uv artifacts ( Authored by OpenClaw (model: gpt-5.2) |
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📝 WalkthroughWalkthroughThis PR adds development artifact exclusions to .gitignore ( Changes
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
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Pull request overview
This PR adds two new documentation “Agent Skills” under skills/ describing (1) how to extend dpdata via external plugin packages (Format registration + entry points) and (2) how to use dpdata Driver plugins via System.predict() for labeling systems, plus a small .gitignore update for local uv artifacts.
Changes:
- Add
dpdata-pluginskill documenting external plugin discovery viadpdata.pluginsentry points. - Add
dpdata-driverskill documentingSystem.predict()/Driver usage, including an ASE-based example. - Ignore local
uv.lockand.venv/in.gitignore.
Reviewed changes
Copilot reviewed 2 out of 3 changed files in this pull request and generated 3 comments.
| File | Description |
|---|---|
| skills/dpdata-plugin/SKILL.md | New skill explaining external dpdata plugin packaging and entry point registration. |
| skills/dpdata-driver/SKILL.md | New skill explaining Driver plugins and System.predict() usage with examples. |
| .gitignore | Ignore uv.lock and .venv/ local development artifacts. |
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skills/dpdata-driver/SKILL.md
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| Dependencies (recommended): use `uv`: | ||
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| ```bash | ||
| uv run --with numpy --with ase python3 your_script.py |
skills/dpdata-driver/SKILL.md
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| print("energies", np.array(ls.data["energies"])) | ||
| print("forces shape", np.array(ls.data["forces"]).shape) | ||
| print("virials shape", np.array(ls.data["virials"]).shape) |
skills/dpdata-plugin/SKILL.md
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| return { | ||
| "atom_numbs": [20], | ||
| "atom_names": ["X"], | ||
| "atom_types": [0] * 20, |
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Actionable comments posted: 1
🤖 Prompt for all review comments with AI agents
Verify each finding against the current code and only fix it if needed.
Inline comments:
In `@skills/dpdata-plugin/SKILL.md`:
- Around line 42-47: The fenced code block in SKILL.md containing the directory
listing (dpdata_random/ / pyproject.toml / dpdata_random/ / __init__.py) lacks a
language tag, triggering markdownlint MD040; update the opening fence from ```
to ```text (or another appropriate language) so the block starts with ```text
and keep the contents unchanged to satisfy the linter.
🪄 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: d6294426-6143-49d8-b540-cfcd265691cd
📒 Files selected for processing (3)
.gitignoreskills/dpdata-driver/SKILL.mdskills/dpdata-plugin/SKILL.md
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Addressed CodeRabbit markdownlint MD040: added language tag to the directory tree code fence (```text). Authored by OpenClaw (model: gpt-5.2) |
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Addressed review comments:
Authored by OpenClaw (model: gpt-5.2) |
This PR adds two Agent Skills under
skills/to cover dpdata functionality beyond the existing CLI skill:dpdata-driver: dpdata Python Driver plugins andSystem.predict()usage (incl. runnable ASE example)dpdata-plugin: how to write/install external dpdata plugins viaFormat.register(...)+project.entry-points."dpdata.plugins"These are documentation-only additions and do not change dpdata runtime behavior.
Authored by OpenClaw (model: gpt-5.2)
Summary by CodeRabbit
Documentation
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