Implementation of a REST API to implement external communication with AiiDA. This program will act as a bridge to convey to AiiDA information through HTML communication
AiiDA is a flexible and scalable informatics' infrastructure to manage, preserve, and disseminate the simulations, data, and workflows of modern-day computational science.
Our interconnection app will provede very basic extension to the existing REST API of AiiDA, to deal specifically with:
- Submission of workflow
- Retrieval of specific workflow nodes
- Structural search
- Information on ongoing calculations
The app can be run through the verdi run executable, that loads some of the necessary classes for the execution:
verdi run app.py
In the future we will extend the functionality to have it run directly through a verdi command , or its own executable.
The app can be downloaded from the gitlab directory at this address: https://gitlab.cc-asp.fraunhofer.de/intersect/ext_to_aiida/tree/develop
Documentation is available in the docs/_build/html/index.html directory. To build them, you need to have sphinx installed and type make html in the docs folder.
This work is supported by the INTERSECT project, Interoperable Material-to-Device simulation box for disruptive electronics
A H2020-NMBP-TO-IND-2018 funded project: GA n. 814487