cp2k

Install command: 
brew install cp2k

Quantum chemistry and solid state physics software package

https://www.cp2k.org/

License: GPL-2.0-or-later

Development: Pull requests

Formula JSON API: /api/formula/cp2k.json

Formula code: cp2k.rb on GitHub

Bottle (binary package) installation support provided for:

macOS on
Apple Silicon		 tahoe ✅
sequoia ✅
sonoma ✅
macOS on
Intel		 sonoma ✅
Linux ARM64 ✅
x86_64 ✅

Current versions:

stable ✅ 2026.1

Depends on:

dbcsr 2.9.1 Distributed Block Compressed Sparse Row matrix library
fftw 3.3.10 C routines to compute the Discrete Fourier Transform
gcc 15.2.0 GNU compiler collection
libint 2.12.0 Library for computing electron repulsion integrals efficiently
libxc 7.0.0 Library of exchange and correlation functionals for codes
open-mpi 5.0.9 High performance message passing library
openblas 0.3.31 Optimized BLAS library
scalapack 2.2.2 High-performance linear algebra for distributed memory machines
libomp 21.1.8 LLVM's OpenMP runtime library

Depends on when building from source:

cmake 4.2.3 Cross-platform make
fypp 3.2 Python powered Fortran preprocessor
pkgconf 2.5.1 Package compiler and linker metadata toolkit

Analytics:

Installs (30 days)
cp2k 43
Installs on Request (30 days)
cp2k 43
Build Errors (30 days)
cp2k 1
Installs (90 days)
cp2k 67
Installs on Request (90 days)
cp2k 67
Installs (365 days)
cp2k 587
cp2k --HEAD 1
Installs on Request (365 days)
cp2k 587
cp2k --HEAD 1