pyiron Demonstration for Platform Material Digital

Based on the NFDI4Ing Workflow Benchmark we demonstrate the interoperability of three different pyiron versions, namely:

• pyiron_base - The classical pyiron workflow framework has been extended for functional programming, by introducing a @job decorator. The pyiron_base package is recommended for projects from the previous funding periods of the Platform Material Digital who are already familiar with the classical pyiron workflow framework.
• pyiron_workflow - Based on the feedback from the previous funding periods of the Platform Material Digital we introduced pyiron_workflow as functional workflow environment. pyiron_workflow provides a visual programming interface to simplify the use and development of workflows for non technical users.
• executorlib - executorlib is designed as minimal extension to the Python programming language to introduce workflow capabilities without changing the Python syntax, it is consequently the optimal solution for users already experienced with the Python programming language, as it simply extends the concurrent.futures.Executor interface from the standard library.

Demonstration:

Screenshot:

The NFDI4Ing Workflow Benchmark is implemented with each of the workflow frameworks, stored in the Python Workflow Definition and afterwards reloaded with the other two frameworks. This highlights the interoperability of the workflow frameworks developed as part of the pyiron project.