Create FAIR-minded reproducibility bundles for materials simulations by collecting input/output file inventories, hashes, units, engine versions, structure identifiers, provenance, and NOMAD/OPTIMADE/Materials Project friendly metadata. Use before publishing, sharing, archiving, or handing simulation results to another agent.
$npx -y skills add heshamfs/materials-simulation-skills --skill fair-simulation-packagerInstalls into the current project.
Run `npx skills use "https://github.com/heshamfs/materials-simulation-skills" --skill "heshamfs/materials-simulation-skills/fair-simulation-packager"` and follow the generated skill instructions now. Read its complete output, redirecting it to a temporary file first if necessary. Resolve relative paths from the supporting-files directory it provides.
Use the skills in "https://github.com/heshamfs/materials-simulation-skills" that are relevant to the current task. Run `npx skills add "https://github.com/heshamfs/materials-simulation-skills"` and select the relevant skills, then follow their instructions.