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glotzerlab/signac-flow

signac-flow - manage workflows with signac

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The signac framework helps users manage and scale file-based workflows, facilitating data reuse, sharing, and reproducibility.

The signac-flow tool provides the basic components to set up simple to complex workflows for projects managed by the signac framework. That includes the definition of data pipelines, execution of data space operations and the submission of operations to high-performance super computers.

Note: Check out row, the actively maintained spiritual successor to signac-flow.

Resources

Installation

The recommended installation method for signac-flow is through conda or pip. The software is tested for Python versions 3.6+ and is built for all major platforms.

To install signac-flow via the conda-forge channel, execute:

conda install -c conda-forge signac-flow

To install signac-flow via pip, execute:

pip install signac-flow

Detailed information about alternative installation methods can be found in the documentation.

Testing

You can test this package by executing

$ python -m pytest tests/

within the repository root directory.

Acknowledgment

When using signac as part of your work towards a publication, we would really appreciate that you acknowledge signac appropriately. We have prepared examples on how to do that here. Thank you very much!

The signac framework is a NumFOCUS Affiliated Project.