April 16, 2026 Software Open Access

Schlegel, Fabian; Fombonne, Clement; Hänsch, Susann; Krull, Benjamin; Lehnigk, Ronald; Meller, Richard

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  <dc:creator>Schlegel, Fabian</dc:creator>
  <dc:creator>Fombonne, Clement</dc:creator>
  <dc:creator>Hänsch, Susann</dc:creator>
  <dc:creator>Krull, Benjamin</dc:creator>
  <dc:creator>Lehnigk, Ronald</dc:creator>
  <dc:creator>Meller, Richard</dc:creator>
  <dc:date>2026-04-16</dc:date>
  <dc:description>The multiphasepy package is a Python toolkit for building, running, and maintaining CFD simulation case collections for the software released by the OpenFOAM Foundation (but also others, like Ansys Fluent or Siemens Simcenter Star-CCM). It combines reusable library modules with practical command-line tools to cover the full simulation lifecycle: case templating, batch execution, monitoring, post-processing, validation support, repository comparison, and publication workflows.

At its core, multiphasepy helps teams move from individual case setups to scalable, structured projects containing a large collection of setups, e.g. a validation database. Cases can be provided as templates that are parameterized at runtime, metadata can be managed in a machine-readable way and cases can be conveniently batch-processed with the workflow management tool Snakemake both on workstations and Slurm-based HPC systems. Using a container-based software environment (e.g. Apptainer or Docker) the case collection becomes fully portable. An integrated Copier template allows the creation and maintenance of multiple independent case collections.

Beyond execution, the package supports quality assurance and communication of results: tools are included for automated checks, fuzzy-logic based evaluation, data conversion, visualization, and generation of artifacts suitable for reporting and dissemination. This makes multiphasepy a practical bridge between day-to-day CFD case work and long-term, reproducible research software operations in collaborative environments.

Command-Line Tools

The multiphasepy package provides a comprehensive suite of command-line tools for CFD workflow management, data processing, and quality assurance. All tools follow the naming convention mpy&lt;function&gt; and provide --help for detailed usage information.

Workflow Management


	mpycopy : Copy and render templated cases
	mpydocker : Launch customizable Docker development environments
	mpywatch : Progress display and real-time data visualization
	mpyworkflow : Create and manage cases projects allowing batch processing


Data Processing


	mpyconv : Convert data files between formats
	mpypost : Mathematical post-processing operations
	mpyvisualize : Visualize simulation result files


Quality Assurance


	mpytest : Run CFD code functionality tests
	mpyfuzzy : Evaluate simulation goodness using fuzzy logic
	mpyhooks : Run git hooks for code quality checks


Utilities


	mpyidentify : Identify file types and associate tags
	mpyrpcmp : Compare two repositories (file-based)
	mpyrpdiff : Compare repositories using git diff
	mpyshrun : Wrap shell commands with logging


Publishing


	mpypublish : Publish software to Rodare repository


Installation

The multiphasepy package requires Python 3.12 or newer.

Install the latest release from PyPI:

pip install -i https://test.pypi.org/simple/ multiphasepy 

For full environment setup and platform-specific notes, see the installation guide in the documentation.

How to cite us?

If you find that package useful, please cite as

Schlegel et al. (2026). Multiphase Python Repository by HZDR. Rodare. &lt;https://doi.org/10.14278/rodare.3093&gt;. 

Acknowledgements

OpenFOAM® is a registered trade mark of OpenCFD Limited, producer and distributor of the OpenFOAM® software via www.openfoam.com. The Multiphase Python Repository by HZDR is not compatible with the software released by OpenCFD Limited, but is developed for the software released by the OpenFOAM Foundation via www.openfoam.org.</dc:description>
  <dc:identifier>https://rodare.hzdr.de/record/4622</dc:identifier>
  <dc:identifier>10.14278/rodare.4622</dc:identifier>
  <dc:identifier>oai:rodare.hzdr.de:4622</dc:identifier>
  <dc:language>eng</dc:language>
  <dc:relation>url:https://www.hzdr.de/publications/Publ-39434</dc:relation>
  <dc:relation>doi:10.14278/rodare.3093</dc:relation>
  <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://opensource.org/licenses/GPL-3.0</dc:rights>
  <dc:subject>Python</dc:subject>
  <dc:subject>Numerical Simulations</dc:subject>
  <dc:subject>Post-Processing</dc:subject>
  <dc:subject>Gitlab</dc:subject>
  <dc:title>Multiphase Python Repository by HZDR</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>software</dc:type>
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