Library for development of stage-based scientific workflows
Project description
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.
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