Three OpenKIM Coding Sprints will be held this summer to develop software related to the KIM project. The Sprints are funded by the Institute for Mathematics and its Applications (IMA) at the University of Minnesota. During the Sprints, KIM Team members will work with external experts on focused programming projects. Each sprint has a different focus:
Packaging Sprint (July 30—August 4, 2018): The objective of this sprint is to work with experts in scientific software engineering, continuous integration tools (such as Jenkins), and binary packaging and distribution tools to setup and deploy these systems for the KIM software stack. Existing KIM-compliant simulators will be updated to take advantage of the new features and packages, as applicable.
Python Sprint (August 6—10, 2018): This sprint is focused on the development of Python packages to facilitate the use of KIM-compliant interatomic potentials and access to data archived in https://openkim.org from Python codes. In addition, work will be done on integrating KIM into the Atomistic Simulation Environment (ASE) and on Python-based KIM Verification Checks.
Simulator Sprint (August 20—24, 2018): The objective of this coding sprint is to work with major simulator developers including LAMMPS, ASAP, libAtoms/QUIP, GULP, and DL_POLY to (1) update their codes to support version 2.0 of the KIM API; (2) add support for "Simulator Models" (i.e. potentials implemented within a simulator that are not yet compatible with the KIM API); (3) add support for queries of KIM test results and from simulator input files; and (4) integrate KIM API setup into the simulator installation process.
For more information, contact Ellad Tadmor at tadmor@umn.edu