Scientific workflows DSL

A simple workflow language with FireWorks as backend

Domain concepts:

• workflows, nodes and tasks
• database query

Tasks

• Python functions

  • function names, kwargs
  • dataflow: input and output data

• Shell scripts

  • script as a string
  • managing stdin, stdout, stderr
  • manage files (stage-in, stage-out)

Queries

• find certain workflows, nodes and tasks
• print inputs and/or outputs from the query on stdout
• save inputs and outputs from the query into files

Implementation

Both the execution and the queries must refer to the vre-middleware (see architecture stack diagram below). The interpreter code should be therfore minimal.