The QC-Devs Software Ecosystem

Paul Ayers and Farnaz Heidar-Zadeh

Department of Chemistry & Chemical Biology, McMaster University

QC-Devs (qcdevs.org) is an international software community devoted to developing sustainable software for quantum chemistry, physics, and the computational sciences. Our goal is to make programming accessible to researchers, to catalyze scientific collaboration, and to promote precepts of sustainable software development. Towards this end, we are actively developing free, open-source, and cross-platform libraries for scientific computing, focusing on theoretical and computational chemistry. We're adapting some of the same principles to develop free and open-source educational materials (qchem.qc-edu.org).

The goal of this presentation is to familiarize the audience with the current QC-Devs software landscape and philosophy. We'll discuss the (sometimes painful) lessons we've learned along the way, and describe how we've arrived at our current (yet constantly evolving) software development principles and protocols. In addition, we'll discuss the future development of QC-Devs and encourage others to join the team.

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