plumpy 0.20.0

A python workflow library

plumpy

A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.

RabbitMQ is used to queue up, control and monitor running processes via the kiwipy library.

Features:

• Processes can be remotely controlled by sending messages over RabbitMQ all from a simple interface
• Progress can be saved between steps and continued later
• Optional explicit specification of inputs and outputs including their types, validation functions, help strings, etc.

Installation

pip install plumpy

or

conda install -c conda-forge plumpy

Development

This package utilises tox for unit test automation, and pre-commit for code style formatting and test automation.

To install these development dependencies:

pip install tox pre-commit

To run the unit tests:

tox

For the rmq tests you will require a running instance of RabbitMQ. One way to achieve this is using Docker and launching test/rmq/docker-compose.yml.

To run the pre-commit tests:

pre-commit run --all

To build the documentation:

tox -e docs-clean

Changes should be submitted as Pull Requests (PRs) to the develop branch.

Publishing Releases

1. Create a release PR/commit to the develop branch, updating plumpy/version.py and CHANGELOG.md.
2. Fast-forward merge develop into the master branch
3. Create a release on GitHub (https://github.com/aiidateam/plumpy/releases/new), pointing to the release commit on master, named v.X.Y.Z (identical to version in plumpy/version.py)
4. This will trigger the continuous-deployment GitHub workflow which, if all tests pass, will publish the package to PyPi. Check this has successfully completed in the GitHub Actions tab (https://github.com/aiidateam/plumpy/actions).

(if the release fails, delete the release and tag)