aiida-fans 0.1.5

AiiDA plugin for FANS, an FFT-based homogenization solver.

aiida-fans

This is a plugin for AiiDA that facilitates the use of FANS. FANS is an FFT-based homogenisation solver for microscale and multiphysics problems. It is an open-source project under active development at the Institute of Applied Mechanics, University of Stuttgart. This plugin aims to bring the full value of provenance tracking and database integration to the results produced by FANS.

The design goals of this plugin are primarily to provide as simplistic a user experience as is reasonably possible. Secondarily, more featureful additions will be made to extend the users' options for queryability and optimisation.

Upcoming

Please note: This plugin is currently in the planning stage of development, with substantial contributions coming soon.

Pre-launch

• basic functionality capable of completing the example simulations presented by FANS with minimal database integration
• documentation hosted on aiida-fans.readthedocs.io
• documentation outline
• publish package on PyPI

Post-launch

• documentation expansion
• input validation developed in cooperation with the FANS team
• file sharing optimisations
• greater database integration via output analysis/extraction

Installation

The plugin is currently unavailable via PyPI at this stage in development, but it is intended to be published upon an upcoming functional release.

The package can always be installed by cloning this repository and installing it locally like so...

$ pip install ./aiida-fans

You must also ensure that FANS, AiiDA, and their various dependencies are installed. Please consult the FANS repository and the AiiDA installation guide for more information.

Contributing

Development

1. Branch off dev with a name appropriate for what you are working on (e.g. feat/myfeature or bug/badbug).
2. Implement, commit, and push your changes.
3. Open a Pull Request dev ← feat/myfeature, then merge and delete.

Release

1. Open a Pull Request main ← dev, then squash and merge.
2. Draft a new Release, named after the release version (e.g. v1.2.3).
3. Create and assaign a new Tag, identically named.
4. Generate release notes and publish.

Contact

You can contact [e-mail] with regard to this plugin specifically.