update-lammps-version

name	update-lammps-version
description	Update the LAMMPS version used by njzjz/lammps-wheel. Use when the user asks to bump the packaged upstream LAMMPS release, references an upstream LAMMPS commit/tag, or says the wheel repo can be updated to a newer stable version.
license	MIT
metadata	{"author":"njzjz-bot","version":"1.0"}

Update LAMMPS Version

This skill is for version bumps in njzjz/lammps-wheel.

What to change

The version pin lives in pyproject.toml under tool.scikit-build.cmake.args:

"-D LAMMPS_VERSION=stable_22Jul2025_update4"

For normal bumps, this is usually the only file that changes.

When this skill applies

Use it when the user:

• says lammps-wheel can be updated
• shares an upstream LAMMPS commit, PR, or tag that bumps the release
• asks to sync the wheel package to a newer upstream stable release

Workflow

1. Read pyproject.toml and record the current LAMMPS_VERSION.
2. Determine the target version:
   • If the user provided an upstream commit/PR/tag, inspect that first and prefer the exact version referenced there.
   • Otherwise, check the latest upstream stable_* tag from lammps/lammps.
3. If the target version is newer than the current one, update only the LAMMPS_VERSION entry in pyproject.toml.
4. Review the diff to confirm the bump is minimal.
5. Commit on a fresh branch and open a PR from the bot fork.

Useful checks

Find the current pinned version

grep -n 'LAMMPS_VERSION=' pyproject.toml

Inspect a user-provided upstream commit

git show <commit> -- pyproject.toml

If the upstream change already contains the desired new tag, copy that exact tag.

List upstream stable tags

git ls-remote --tags https://github.com/lammps/lammps.git 'refs/tags/stable_*'

Prefer the newest stable tag, but sanity-check the naming instead of blindly trusting lexical order.

Editing rule

Do not rewrite unrelated build settings. For a routine release bump, keep the change scoped to the single LAMMPS_VERSION line unless the user explicitly asks for more.

Validation

Before opening the PR:

• run git diff -- pyproject.toml
• make sure the diff is only the expected version bump
• mention the old and new versions in the PR body

Suggested branch / PR shape

• Branch: openclaw/update-lammps-<target-version>
• Commit: build(lammps): bump upstream stable tag to <target-version>

PR body should briefly cover:

• current pinned version
• new pinned version
• where the target came from (upstream commit/tag)

Notes

• lammps-wheel tracks upstream LAMMPS stable tags, not PyPI versions.
• If the current branch already contains unrelated commits, rebuild the branch from the upstream default branch before opening the PR.