* Package name : sirius Version : 6.4.2 Upstream Author : Anton Kozhevnikov, Thomas Schulthess * URL : https://github.com/electronic-structure/SIRIUS * License : BSD-2-Clause Programming Lang: C++ Description : domain specific library for electronic structure calculations SIRIUS is a domain specific library for electronic structure calculations. It implements plane wave pseudopotential (PW-PP) and full potential linearized augmented plane wave (FP-LAPW) methods and designed to work with popular community codes such as Exciting, Elk and Quantum ESPRESSO. SIRIUS is written in C++11 with MPI, OpenMP and CUDA programming models. Remark: This package is to be maintained with Debichem Team at https://salsa.debian.org/debichem-team/sirius