| Vol-1686 urn:nbn:de:0074-1686-8 Copyright © 2016 for the individual papers by the papers' authors. Copying permitted for private and academic purposes. This volume is published and copyrighted by its editors.

# WSSSPE 2016
Workshop on Sustainable Software for Science: Practice and Experiences

### Proceedings of the Fourth Workshop on Sustainable Software for Science: Practice and Experiences (WSSSPE4)

### University of Manchester, Manchester, UK, September 12-14, 2016

Edited by:

### Gabrielle Allen1, Jeffrey Carver2, Sou-Cheng T. Choi3, Tom Crick4, Michael R. Crusoe5, Sandra Gesing6, Robert Haines7, Michael Heroux8, Lorraine J. Hwang9, Daniel S. Katz1, Kyle E. Niemeyer10, Manish Parashar11, Colin C. Venters12

1 University of Illinois Urbana-Champaign, USA
2 University of Alabama, USA
3 Illinois Institute of Technology, USA
4 Cardiff Metropolitan University, UK
5 Common Workflow Language, USA
6 University of Notre Dame, USA
7 University of Manchester, UK
8 Sandia National Laboratories, USA
9 University of California, Davis, USA
10 Oregon State University, USA
11 Rutgers University, USA
12 University of Huddersfield, UK

## Table of Contents

- Preface

### Keynote

- The legacy of unsustainable software
  Professor Patricia Lago, Vrije Universiteit Amsterdam

### Idea Papers

- The lifecycle of software for scientific simulation
  Anshu Dubey, Lois Curfman McInnes
- Development of a software framework for formalizing forcefield atom-typing for molecular simulation
  Janos Sallai, Christopher Iacovella, Christoph Klein, Tengyu Ma
- Sustainable & Productive: Improving incentives for quality software
  Michael Heroux
- Establishing a professional society for research software
  Gabrielle Allen

### Position Papers

- Collaborative gamification design for scientific software
  Francisco Queiroz, Rejane Spitz
- Why do we need to compare research software, and how should we do it?
  Neil Chue Hong
- Active curation of artifacts is changing the way digital libraries will operate
  Bruce Childers, Jack Davidson, Wayne Graves, Bernard Rous, David Wilkinson

### Experience Papers

- A survey of Research Software Engineers in the UK
  Olivier Philippe, Simon Hettrick, Neil Chue Hong
- Software engineering and community codes track in ATPESC
  Anshu Dubey, Katherine Riley

### Demos

- Using TAU for performance evaluation of scientific software
  Sameer Shende, Allen Malony
- Using industrial engagement to create and develop research ties within academia
  Christopher Gwilliams
- Composing, reproducing, and sharing simulations
  Debashis Ganguly, William Garrison, David Wilkinson, Bruce Childers, Adam Lee, Daniel Mosse

### Lightning Talks

- Software impact measurement at the Netherlands eScience Center
  Willem Robert van Hage, Jason Maassen, Rob van Nieuwpoort
- The Software Sustainability Institute Fellowship programme; supporting the social side of research software
  Shoaib Sufi
- Bringing techniques from software engineering into scientific software
  Eric L. Seidel, Gabrielle Allen
- A model for peer review and onboarding research software
  Karthik Ram, Noam Ross, Scott Chamberlain
- A vision of computing in 10+ years
  Frank Löffler, Steven Brandt
- Software citation: Process, principles, and implementation
  Daniel S. Katz, Kyle E. Niemeyer, Arfon M. Smith, FORCE11 Software Citation Working Group.
- HydroShare: A case study in software engineering best practices and culture change for developing sustainable community software
  Ray Idaszak, David G. Tarboton, Hong Yi, Michael Stealey, Pabitra Dash, Alva Couch, Daniel P. Ames, Jeffery S. Horsburgh, Tony Castronova, Jon Goodall, Mohamed Morsy, Venkatesh Merwade, Mauriel Ramirez, Tian Gan, Drew (Zhiyu) Li, Jeff Sadler, Shawn Crawley, Zhaokun Xue Lan Zhao, Carol Song, Christina Bandaragoda
- ASPECT: Hackathons as an example of sustaining an open source community
  Lorraine Hwang, Wolfgang Bangerth, Timo Heister, Louise Kellogg
- A simple profiling framework for software user-producer maturity review
  Carole Goble
- The Science Gateways Community Institute – Supporting communities to achieve sustainability for their science gateways
  Sandra Gesing, Maytal Dahan, Linda B. Hayden, Katherine Lawrence, Suresh Marru, Marlon Pierce, Nancy Wilkins-Diehr, Michael Zentner
- Sustaining the social: Connecting the lives of Drupal community
  Iain Emsley, David De Roure
- A proposal for the measurement and documentation of research software sustainability in interactive metadata repositories
  Stephan Druskat
- Creating a standardised set of batched BLAS routines
  Jack Dongarra, Sven Hammarling, Nicholas J. Higham, Samuel D. Relton, Pedro Valero-Lara, Mawussi Zounon
- Supporting software sustainability with lightweight specifications
  Mistral Contrastin, Matthew Danish, Dominic Orchard, Andrew Rice
- Making it easier to understand research software impact
  Neil Chue Hong
- The BioDynaMo Project
  Roman Bauer, Lukas Breitwieser, Alberto Di Meglio, Leonard Johard, Marcus Kaiser, Marco Manca, Manuel Mazzara, Max Talanov
- Report on software metrics for research software
  Gabrielle Allen, Emily Chen, Ray Idaszak, Daniel S. Katz
- I solemnly pledge: A manifesto for personal responsibility in the engineering of academic software
  Alice Allen, Cecilia Aragon, Christoph Becker, Jeffrey Carver, Andrei Chis, Benoit Combemale, Mike Croucher, Kevin Crowston, Daniel Garijo, Ashish Gehani, Carole Goble, Robert Haines, Robert Hirschfeld, James Howison, Kathryn Huff, Caroline Jay, Daniel S. Katz, Claude Kirchner, Kateryna Kuksenok, Ralf Lämmel, Oscar Nierstrasz, Matt Turk, Rob van Nieuwpoort, Matthew Vaughn, Jurgen Vinju.
- How should we measure the relationship between code quality and software sustainability?
  Aseel Aldabjan, Robert Haines, Caroline Jay

2016-09-07: submitted by Colin C. Venters, metadata incl. bibliographic data published under Creative Commons CC0
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