cp2k
brew install cp2kQuantum chemistry and solid state physics software package
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 |
golden gate | ✅ |
|---|---|---|
| tahoe | ✅ | |
| sequoia | ✅ | |
| sonoma | ✅ | |
| macOS on Intel |
sonoma | ✅ |
| Linux | ARM64 | ✅ |
| x86_64 | ✅ |
Current versions:
| stable | ✅ | 2026.2 |
Depends on:
| dbcsr | 2.10.0 | Distributed Block Compressed Sparse Row matrix library |
| fftw | 3.3.11 | C routines to compute the Discrete Fourier Transform |
| gcc | 16.2.0 | GNU compiler collection |
| libint | 2.13.1 | Library for computing electron repulsion integrals efficiently |
| libxc | 7.1.2 | Library of exchange and correlation functionals for codes |
| open-mpi | 5.0.11 | High performance message passing library |
| openblas | 0.3.34 | Optimized BLAS library |
| scalapack | 2.2.3 | High-performance linear algebra for distributed memory machines |
| libomp | 23.1.2 | LLVM's OpenMP runtime library |
Depends on when building from source:
| cmake | 4.4.3 | Cross-platform make |
| fypp | 3.2 | Python powered Fortran preprocessor |
| pkgconf | 3.0.7 | Package compiler and linker metadata toolkit |
Uses from macOS: python (build)
Binaries:
cp2k.popt,
cp2k.psmp,
dbm_miniapp.psmp,
dbt_tas_unittest.psmp,
dbt_unittest.psmp,
dumpdcd.psmp,
gemm_square_unittest.psmp,
graph.psmp,
grid_miniapp.psmp,
grid_unittest.psmp,
gx_ac_unittest.psmp,
libcp2k_unittest.psmp,
memory_utilities_unittest.psmp,
nequip_unittest.psmp,
orbital_transformation_matrices_unittest.psmp,
parallel_rng_types_unittest.psmp,
realspace_grid_cube_unittest.psmp,
xyz2dcd.psmp
Analytics:
| 30 days | 90 days | 365 days | |
|---|---|---|---|
| Installs | 9 | 103 | 483 |
| Installs on Request | 9 | 103 | 483 |
| Build Errors | 0 |