hpckit 0.1.0

HPC orchestration CLI for SSH, Slurm run packets, receipts, and artifact sync.

hpckit is a small Python CLI for orchestrating Slurm cluster workflows from a local project checkout. It manages remote tool checkouts, immutable per-SHA virtualenvs, run packets, Slurm submission and polling, receipts, artifact sync, and local run ledgers.

The tools it runs are declared in your own .hpckit.yaml — hpckit ships none of them, and depends on nothing but a YAML parser itself.

Its companion renderer is quadros, which turns simulation field snapshots into frames and video. Install it alongside if you want to render locally as well as on the cluster:

pip install hpckit quadros

It stays a separate install on purpose: quadros brings VTK, roughly 700 MB, and a machine that only submits jobs should not pay that. Once both are published a hpckit[renderer] extra will make this one command.

Configuration lives in the project you run it from, not in this repository, so one installation drives any number of projects.

Install

For local development:

uv pip install -e .

For command-line use from another checkout:

pipx install git+https://github.com/openfluids/hpckit.git

Quickstart

cd /path/to/your/project
hpckit init --project myproject
hpckit doctor

Configure

Create .hpckit.yaml in the project where you run hpckit (see .hpckit.example.yaml for a full template). Tools, job types, and the sparse batch script name are all config-driven:

project: myproject
remote: mycluster
work_root: /path/to/work
scratch_root: /path/to/scratch
remote_repos_root: /path/to/work/repos
remote_state_root: /path/to/work/.hpckit
ledger: HPCKIT_RUN_LOG.md
job_script: job.batch
restart_helper: check_restart.py
slurm:
  account: myproj@cpu   # required — no default
  partition: prepost
  ntasks: 1
  cpus_per_task: 4
tools:
  sigtool:
    repo_url: [e-mail]:myorg/sigtool.git
job_types:
  process:
    tool: sigtool
    command: "{venv}/bin/python -m sigtool.cli process --registry {run_dir}/registry.toml --output-root {output_dir}"
artifact_sync:
  processed: data/hpckit_processed
  renders: plots/hpckit_renders
  paper_figs: paper/figs
  receipts: hpckit/receipts

Commands

hpckit doctor
hpckit status
hpckit update-repo <tool> --ref <sha-or-branch>
hpckit submit <job_type> <case> --ref <sha>
hpckit submit sparse <case> --to <target_end_time>
hpckit poll [run_id]
hpckit sync-artifacts <run_id>
hpckit receipt <run_id>
python -m hpckit doctor

Job type subcommands (e.g. process, render, plot) come from job_types: in the config. Sparse is built-in and uses job_script / restart_helper.

Development

uv sync --group dev
uv run pytest
uv run python -m build

The repository uses the PyPA-recommended src/ layout, standard pyproject.toml metadata, a public [project.scripts] entry point, and dependency groups for maintainer tooling.

Destructive remote cleanup is intentionally not implemented. Sparse continuation edits only the case-local restart helper knobs and records the backup name in the receipt.