AiiDA v1.5.0 Released

16 Nov AiiDA v1.5.0 Released

A fifth minor version of the AiiDA v1 series is out with a couple of new features and some relevant bug fixes. Support for Python 3.5 is dropped and support for Python 3.9 is added.

AiiDA is an open-source Python infrastructure to help researchers with automating, managing, persisting, sharing and reproducing the complex workflows associated with modern computational science and all associated data. In the specific of the V1.5.0 release:
– Process functions are now submittable: the final limitations that prevented process functions from being fully submittable have been removed.
– New REST API features: the first one is that the base will now return a list of the available endpoints; the second one is the addition of a new endpoint full_types_count.
– Archive Refactor: this is part of a series of modifications that aim at making several improvements in the performance and versatility of the process of exporting and importing databases.

INTERSECT IM2D framework – an interoperable material-to-device simulation platform – is integrating some of the most used open-source materials modelling codes (Quantum ESPRESSO and SIESTA) with models and modelling software for emerging devices (GinestraTM) via the SimPhony infrastructure for semantic interoperability and ontologies, powered by the AiiDA workflow engine, and its data-on-demand capabilities and apps interface. To read more about the progress we have made with AiiDA, read our WP1/2 deliverables.

For more details on this AiiDA release, read details on http://www.aiida.net/news/aiida-v1-5-0-released/.