| 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
- Read
pyproject.toml and record the current LAMMPS_VERSION.
- 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.
- If the target version is newer than the current one, update only the
LAMMPS_VERSION entry in pyproject.toml.
- Review the diff to confirm the bump is minimal.
- 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.
