Quantum chemistry and solid state physics software package

Current version

Revision: 1

cp2k requires the following formulae to be installed:
fftw 3.3.7_1 C routines to compute the Discrete Fourier Transform
gcc 7.3.0_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

Formula code at GitHub