cp2k

Install command:
brew install cp2k

Quantum chemistry and solid state physics software package

https://www.cp2k.org/

License: GPL-2.0-or-later

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

Formula code: cp2k.rb on GitHub

Bottle (binary package) installation support provided for:

Apple Silicon sonoma
ventura
monterey
Intel sonoma
ventura
monterey
64-bit linux

Current versions:

stable 2024.1

Depends on:

fftw 3.3.10 C routines to compute the Discrete Fourier Transform
gcc 14.1.0 GNU compiler collection
libxc 6.2.2 Library of exchange and correlation functionals for codes
open-mpi 5.0.3 High performance message passing library
openblas 0.3.27 Optimized BLAS library
scalapack 2.2.0 High-performance linear algebra for distributed memory machines

Depends on when building from source:

cmake 3.29.5 Cross-platform make
pkg-config 0.29.2 Manage compile and link flags for libraries

Analytics:

Installs (30 days)
cp2k 45
Installs on Request (30 days)
cp2k 45
Build Errors (30 days)
cp2k 1
Installs (90 days)
cp2k 160
Installs on Request (90 days)
cp2k 160
Installs (365 days)
cp2k 922
Installs on Request (365 days)
cp2k 922
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