4. ChangeLog

4.1. Version 1.1 (05/2017)

  • Expanded section on workflow implementation, added subsections on workflow templates and workflow as a class. Already describes some concept to be introduced in ver. 2.0 (transparent ssh tunnel handling using decorator classes).

  • Added acknowledgement to EU Composelector project.

4.2. Version 2.0.0 (12/2017)

  • Updated API doc to MuPIF ver. 2.0

  • Metadata support by introducing abstract, top-level MuPIFObject class, which is a parent class to all MuPIF components and provides methods to attach and retrieve metadata

  • Workflows can be represented as a class derived from Workflow class. Workflows share the same API as models (Model class). This allows to combine models and workflows and create a complex, hierarchical workflows. Several examples converted to demonstrate workflow-as-a-class concept.

  • TimeStep now requires unit information on all attributes, introduced new attribute allowing to set target simulation time.

  • Base Property class generalized to allow for properties depending on parameters (time, other variables), Properties now strictly unit aware.

  • Field class now strictly unit aware.

  • Added section on VPN online monitoring tool

4.3. Version 2.2.0 (04/2019)

  • Updated to MuPIF ver 2.2

  • Updated to Python ≥ 3.2

  • Section 5.1 extended to cover metadata and metadata schemata

  • Updated example numbering

  • Updated Pyro4 to version 4.75

4.4. Version 2.3.0 (02/2020)

  • Updated to MuPIF ver 2.3

  • Updated to Python ≥ 3.5

  • Added Particle and ParticleSet classes and corresponding unit tests

  • Fixing metadata schemas for Model and Workflow classes

  • Email notification of failed JobManager

  • Fixing Mesh class for vertex support

  • Pilot tests for EMMO (European Materials & Modelling Ontology) under examples/Example06-stacTM-local/emmo*.py