MolSSI will hold a workshop on Best Practices in Software Development workshop at the 2018 Southeastern Regional Meeting of the American Chemical Society (SERMACS). The workshop will take place from 9 AM to 4:30 PM at the Augusta Marriott on Wednesday, October 31st.
These best practices include version control with git and GitHub, unit and regression testing with PyTest, code coverage with Codecov, continuous integration with Appveyor and Travis CI, and documentation with Read The Docs. This workshop will be taught with the Python language; however, most ideas and tools can be applied to any language. At the end of the workshop, attendees will leave with a working knowledge of how to apply modern software developmental operations used by the majority of successful open source projects and deploy their project to package managers so that they can easily distribute their software to the computational molecular sciences community.
Instructors will be available at 8:30 AM to help attendees set up computers for the workshop, and after workshop instruction until 5:00 PM to answer questions.
This is a hands-on workshop, meaning that students should bring their laptops. Students should be familiar with the Python language and with the Bash shell and Python language.
Interested attendees should complete the registration survey.