Workflow re-organisation for publication

[nathanhaigh]

Aim to follow Best Practice recommendations

• Restructure repo layout as per https://snakemake.readthedocs.io/en/stable/snakefiles/deployment.html#distribution-and-reproducibility
• Utilise profiles for different compute back-ends e.g. Slurm, PBS, local. Take a look at https://github.com/Snakemake-Profiles/
• Look at utilising unit tests (https://snakemake.readthedocs.io/en/stable/snakefiles/testing.html#snakefiles-testing)
• Aim to include the workflow into the Snakemake workflow catalog (https://snakemake.github.io/snakemake-workflow-catalog/?rules=true)
• Upload to WorkflowHub (https://snakemake.readthedocs.io/en/stable/snakefiles/deployment.html#uploading-workflows-to-workflowhub)

[mr-c]

Hello @nathanhaigh @aaronphillips7493 , can I have a copy of your pre-print?

I am a member of the FAIR Computational Workflows working group. We'd like to review your paper together from the perspective of the FAIR principles. Having a concrete example will help us with our work to define actionable FAIR principles for computational workflows.

[aaronphillips7493]

Hey @mr-c, thanks for reaching out! The paper is currently under review at a journal. Thus, I'm not sure how to proceed re: sharing the manuscript. I think it should be ok, but don't want to step on any toes! I am awaiting feedback to help me make a decision. As soon as I hear from my co-authors, I will get back in touch. Thanks again :)

[mr-c]

@aaronphillips7493 maybe it isn't too late to post a preprint 😊