Open Source Best Practices: From Continuous Integration to Static Linters

October 17

Calendar

Tickets

When:

October 17, 2018 @ 1:00 pm – 2:00 pm

2018-10-17T13:00:00-04:00

2018-10-17T14:00:00-04:00

Contact:

Osni Marques

Training Event

training ideas IDEAS Productivity Agile Project Management Kanban

The IDEAS Productivity project, in partnership with the DOE Computing Facilities of the ALCF, OLCF, and NERSC and the DOE Exascale Computing Project (ECP) has resumed the webinar series on Best Practices for HPC Software Developers, which we began in 2016.

As part of this series, we offer one-hour webinars on topics in scientific software development and high-performance computing, approximately once a month. The next webinar is titled Open Source Best Practices: From Continuous Integration to Static Linters, and will be presented by Daniel Smith and Ben Pritchard (members of the NSF-funded Molecular Sciences Software Institute, or MolSSI). The webinar will take place on Wednesday, October 17, 2018 at 1:00 pm ET.

Abstract:

This webinar will continue the discussion of open source software (OSS) opportunities within the scientific ecosystem to include the many cloud and local services available to OSS free of charge. The services to be discussed include continuous integration, code coverage, and static analysis. The presenters will demonstrate the usefulness of these tools and how a small time investment at the beginning is traded for long-term benefits. These services and ideas are agnostic to software language or HPC software application and should apply to any party interested in tools that help ease the burden of software maintenance.

Presenters

Ben Pritchard and Daniel Smith are Software Scientists at the Molecular Sciences Software Institute (MolSSI), whose goal is to serve as a nexus for science, education, and cooperation serving the worldwide community of computational molecular scientists – a broad field including of biomolecular simulation, quantum chemistry, and materials science.

Ben has a background in computational chemistry, receiving his Ph.D. from the University at Buffalo in 2013. He has a lifelong passion for computer programming, with current projects relating to accuracy and precision of computational chemistry calculations. He also has interests in long-term maintainability and reproducibility in the computational sciences.

Daniel has a long history contributing to open-source scientific projects such as the popular NumPy and Psi4 packages while also emphasizing educational outreach through Software Carpentry and MolSSI’s educational activities. His current research interest focuses on community databases for quantum chemistry that will aid in next generation molecular force fields, AI research, and novel method performance assessment.

Presentation Materials

Webinar Presentation

WebEx Connection Information

The meeting will be hosted via WebEx. We will open the WebEx meeting at least 20 minutes prior to the start of the webinar. I recommend you connect as early as possible to ensure you do not encounter technical difficulties in seeing and/or hearing the presentation. Once the presentation begins, it will be difficult to provide technical assistance.

Meeting link:

https://olcf.webex.com/olcf/j.php?MTID=m3c85cacfbfb005a9d6f9e67bb6d2e4b3

Meeting number: 623 272 721

Password: IDEAS-ECP

Join by phone:

1-650-479-3207 Call-in toll number (US/Canada)

1-855-244-8681 Call-in toll-free number (US/Canada)

Access code: 623 272 721

Questions?

We encourage questions. To ask a question, you may either choose to utilize the built-in chat function inside of WebEx or you may type your question in the Google doc located at: http://bit.ly/IDEAS-CI2SL. We will have experts on-hand to address your questions in chat and/or the Google doc and/or we will ask the speaker your questions at pre-defined intervals during the webinar.

Survey

After the webinar, we request that you take a very short survey to help us improve future webinars. You may find a link to the survey at:http://bit.ly/IDEAS-CI2SL-survey.