Definition#
In the Python Workflow Definition (PWD) each node represents a Python function, with the edges defining the connection between input and output of the different Python functions.
Format#
Each workflow consists of three files, a Python module which defines the individual Pythons, a JSON file which defines the connections between the different Python functions and a conda environment file to define the software dependencies. The files are not intended to be human readable, but rather interact as a machine readable exchange format between the different workflow engines to enable interoperability.
Workflow Engines#
Currently supported workflow engines:
Example Workflows#
Three workflows are implemented:
Simple workflow coupling two python functions
Calculation of an energy volume curve with quantum espresso
File based workflow benchmark from NFDI4Ing