goldencheetah -
3.5 ((sorry, broken ATM, as needs patching to build on gcc10, will wait for upstream) Performance Software for Cyclists, Runners, Triathletes and Coaches)
elpa -
2021.11.001 (The publicly available ELPA library provides highly efficient and highly scalable direct eigensolvers for symmetric matrices)
gpaw-setups -
0.9.20000-r4 (Setup collection for sci-physics/gpaw)
libxc -
5.2.3 (A library of exchange-correlation functionals for use in DFT)
pslibrary -
9999 (A collection of input files for the ld1.x atomic code which is distributed with the Quantum ESPRESSO package. It allows the generation of PAW data-sets or US pseudopotentials, scalar relativistic or fully relativistic, for several elements.)
ase -
3.22.1-r1 (A set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations)
gpaw -
22.1.0-r3 (GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE))
quantum-espresso -
7.1 (Suite for first-principles electronic-structure calculations and materials modeling)