We invite the structural materials science synchrotron community to join us for a workshop as we develop a science gateway for our High Energy Diffraction Microscopy Software (HEXRD) suite. It is increasingly necessary for data to be processed on-site at CHESS as: (i) data is too large to leave the facility, (ii) the software requires a high-performance computing infrastructure, and/or (iii) data needs to be reduced “on the fly” at the beamline. One of the largest and first barriers to entry for data reduction is the requisite knowledge of Linux OS, CHESS computer farm and file system infrastructure, python, conda, and more. The Science Gateway should remove these barriers so that users can focus on what the software is doing, rather than how it is doing it. This will also fundamentally change the nature of interaction between scientists sharing their code.
Goals of the workshop:
- Identify common workflows that our community uses including post-processing scripts (e.g. stress, CRSS calculators, Dream3D workflows)
- Understand additional barriers to entry in the software that can be addressed through a new framework
- Determine the initial HEXRD-based workflow to be inaugurated at CHESS
Workshop Highlights:
- Demonstration of Galaxy at CHESS with HEXRD core modules
- Open discussion of new data-reduction scripts and schemes to be integrated into workflow
- Breakout sessions to tackle roadblocks and challenges for users and tool builders in the community regarding running, disseminating, and maintaining software
Project Leaders:
Jorge Vinals, University of Minnesota (PI)
Matthew Miller, Cornell University (Co-PI)
Mark Miller, University of California San Diego (Co-PI)
Bob Suter, Carnegie Mellon University (Co-PI)
Kelly Nygren, Cornell University
James Johnson, University of Minnesota
Werner Sun, Cornell University
Devin Bougie, Cornell University
Mark Zhuang, University of San Diego
Workshop Coordinators:
Kelly Nygren, Cornell University (Co-Chair)
Matthew Miller, Cornell University (Co-Chair)
Next Workshop (2021)
Building a Science Gateway for Structural Materials Analysis at CHESS II: Deploying the High Energy Diffraction Microscopy Suite in Galaxy