How do I upload to the Workflow Store?

Introduction

The Workflow Store provides a place to share your science with others! Upload and share the code that can be used to reproduce some or all of your research. They can be works in progress!

Quick start Guide

Note: Most of the instructions below link to formats, concepts, or standards for GitHub, which should work in a similar/identical form for GitLab.

1. Put your code in version control

Make sure your code is under version control and stored in a registry such as GitHub or a GitLab instance.

Create a new repository (e.g. on GitHub). Ensure initialize the repository with a Readme is deselected and follow the instructions applicable to your situation. For example, you may want to upload an existing directory.

2. Add meta information

Add a meta.json for the PMD Workflow Store. You can also use a web form to do so.

Sample meta.json:

{
    "workflow_environment":"pyiron",
    "title": "Exciting science experiment",
    "authors": [
        "John Doe <john.doe@science.com>",
        "John Smith <john.smith@institute.edu>"
    ],
    "description": "Code to run new physics",
    "release": "0.0.1",
    "keywords": [
        "workflow",
        "simulation"
    ],
    "categories":[
        "atomistics"
    ]
}

Full info on the file format here.

3. Add a README (optional)

Add a Readme with instructions and tips on setup and useage of your workflow.

Further suggestions on creating your Readme

4. Add a License (optional)

If you care about proper software sharing, choose a license and add a LICENSE file.

5. Add citation info (optional)

Minimal format

Citations can be added as a short section in your Readme:

If you are using this workflow please cite: Author Name et al. (2023) “Title of publication.” Journal [Vol], p1-10 DOI:…”

Citation File (optional)

The prefered method to add citations is to include a CREDENTIALS.cff file in your repository.

6. Create a release/tag

Commit all required files and create a release with an associated release tag

7. Upload to the Workflow Store

Login to the workflow Store (via the button in the top right)
Upload your workflow

Detailed instructions including information on how to add private repositories are provided in the upload workflow section.