cp2k
Quantum chemistry and solid state physics software package
https://www.cp2k.org/
Current version
5.1 |
Revision: 1
cp2k requires the following formulae to be installed:
fftw | 3.3.7_1 | C routines to compute the Discrete Fourier Transform | |
gcc | 7.2.0_1 | GNU compiler collection | |
libxc | 3.0.1_1 | Library of exchange and correlation functionals for codes | |
open-mpi | 3.0.0_2 | High performance message passing library | |
scalapack | 2.0.2_10 | High-performance linear algebra for distributed memory machines |
Recent formula history
FX Coudert | cp2k: phase out :fortran, :mpi and :openmp | |
FX Coudert | cp2k: migrate from homebrew/science | |
Complete formula history at GitHub |
Formula code at GitHub