flowws 0.5.2

Library for development of stage-based scientific workflows

Introduction

flowws is an in-development framework for building modular, reusable task workflows. The core library contains tools to abstract over storage locations and parse arguments in a uniform way for both python scripts and command-line-based execution. It is designed to help solve the following problems:

• Composing tasks from a series of modular actions
• Parameterizing tasks and exposing interfaces for both interactive and batch execution
• Improving reproducibility by encapsulating parameters within workflow definitions

flowws is being developed in conjunction with other projects, including:

• hoomd-flowws: perform simulations with hoomd-blue.
• flowws-analysis: run analysis and visualization workflows
• flowws-freud: molecular simulation-specific modules for flowws-analysis
• flowws-examples: example workflows using the above projects

Installation

Install flowws from PyPI:

pip install flowws

Alternatively, install from source:

pip install git+https://github.com/klarh/flowws.git#egg=flowws

Documentation

Browse more detailed documentation online or build the sphinx documentation from source:

git clone https://github.com/klarh/flowws
cd flowws/doc
pip install -r requirements.txt
make html

Examples

The flowws-examples project contains interactive notebook examples that demonstrate various workflows.