# Install cp2k Quantum chemistry and solid state physics software package. Version 2026.1 via Homebrew; verified from local package data. ## Install ```sh sudo av install brew:cp2k ``` Additional install commands: ### macOS - Homebrew (100%): ```sh brew install cp2k ``` Evidence: local Homebrew formula metadata ### Linux - Debian apt (92%): ```sh sudo apt install cp2k ``` Evidence: Debian stable package indexes: cp2k from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz - dnf (92%): ```sh sudo dnf install cp2k ``` Evidence: Fedora Rawhide package metadata: cp2k from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst - Nix (92%): ```sh nix profile install nixpkgs#cp2k ``` Evidence: nixpkgs package indexes: pkgs/by-name/cp/cp2k/package.nix from https://api.github.com/repos/NixOS/nixpkgs/git/trees/master?recursive=1 ## Package Facts - **Package key:** brew:cp2k - **Package manager:** Homebrew - **Package manager URL:** - **Version:** 2026.1 - **Source summary:** Quantum chemistry and solid state physics software package - **Homepage:** - **Repository:** - **Upstream docs:** - **License:** GPL-2.0-or-later - **Source archive:** - **Generated:** 2026-06-10T07:18:26+00:00 ## Executables - cp2k.psmp (cli) - dbm_miniapp.psmp (cli) - dbt_tas_unittest.psmp (cli) - dbt_unittest.psmp (cli) - dumpdcd.psmp (cli) - gemm_square_unittest.psmp (cli) - graph.psmp (cli) - grid_miniapp.psmp (cli) - grid_unittest.psmp (cli) - gx_ac_unittest.psmp (cli) - libcp2k_unittest.psmp (cli) - memory_utilities_unittest.psmp (cli) - nequip_unittest.psmp (cli) - parallel_rng_types_unittest.psmp (cli) - xyz2dcd.psmp (cli) - cp2k.psmp (alias) - dbm_miniapp.psmp (alias) - dbt_tas_unittest.psmp (alias) - dbt_unittest.psmp (alias) - dumpdcd.psmp (alias) - gemm_square_unittest.psmp (alias) - graph.psmp (alias) - grid_miniapp.psmp (alias) - grid_unittest.psmp (alias) - gx_ac_unittest.psmp (alias) - libcp2k_unittest.psmp (alias) - memory_utilities_unittest.psmp (alias) - nequip_unittest.psmp (alias) - parallel_rng_types_unittest.psmp (alias) - xyz2dcd.psmp (alias) ## Dependencies - dbcsr - fftw - gcc - libint - libomp - libxc - open-mpi - openblas - scalapack ## Build Dependencies - cmake - fypp - pkgconf ## Install Behavior - Post-install hook: not defined - Bottle: available on arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux ## Freshness - Page generated: 2026-06-10 - Package-manager version: 2026.1 - Local data status: ok - Upstream repository: https://github.com/cp2k/cp2k - info: No package-manager update timestamp was available. - info: No cached GitHub release or tag data was available. ## 安全说明 narrow executable package without higher-risk signals. - **Geiger risk:** green / low - narrow executable package without higher-risk signals ## Source Database Details - **Source Database:** Homebrew formula API - **Tap:** homebrew/core - **Full Name:** cp2k - **Version Scheme:** 0 - **Revision:** 1 - **Bottle Stable Root URL:** - **Deprecated:** no - **Disabled:** no - **Keg Only:** no - **URL Keys:** stable ## Other Package-Manager Records - Debian apt - cp2k - 2025.1-1.1: normalized package name match | Debian stable package indexes: cp2k from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Ab Initio Molecular Dynamics | http://www.cp2k.org - Debian apt - cp2k-data - 2025.1-1.1: normalized package name match | Debian stable package indexes: cp2k-data from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Ab Initio Molecular Dynamics (data files) | http://www.cp2k.org - Nix - cp2k: normalized package name match | nixpkgs package indexes: pkgs/by-name/cp/cp2k/package.nix from https://api.github.com/repos/NixOS/nixpkgs/git/trees/master?recursive=1 - dnf - cp2k - 2025.1-5.fc44: normalized package name match | Fedora Rawhide package metadata: cp2k from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst | Ab Initio Molecular Dynamics | https://www.cp2k.org/ - dnf - cp2k-common - 2025.1-5.fc44: normalized package name match | Fedora Rawhide package metadata: cp2k-common from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst | Molecular simulations software - common files | https://www.cp2k.org/ - dnf - cp2k-devel - 2025.1-5.fc44: normalized package name match | Fedora Rawhide package metadata: cp2k-devel from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst | Development files for cp2k | https://www.cp2k.org/ - dnf - cp2k-mpich - 2025.1-5.fc44: normalized package name match | Fedora Rawhide package metadata: cp2k-mpich from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst | Molecular simulations software - mpich version | https://www.cp2k.org/ - dnf - cp2k-mpich-devel - 2025.1-5.fc44: normalized package name match | Fedora Rawhide package metadata: cp2k-mpich-devel from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst | Development files for cp2k | https://www.cp2k.org/ - dnf - cp2k-openmpi - 2025.1-5.fc44: normalized package name match | Fedora Rawhide package metadata: cp2k-openmpi from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst | Molecular simulations software - openmpi version | https://www.cp2k.org/ - dnf - cp2k-openmpi-devel - 2025.1-5.fc44: normalized package name match | Fedora Rawhide package metadata: cp2k-openmpi-devel from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst | Development files for cp2k | https://www.cp2k.org/ ## Related Links - 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Runtime dependency declared by Homebrew. - [pkgconf](https://www.automicvault.com/zh-hans/pkg/brew/pkgconf/) - Build dependency declared by Homebrew. - [cmake](https://www.automicvault.com/zh-hans/pkg/brew/cmake/) - Build dependency declared by Homebrew. - [fypp](https://www.automicvault.com/zh-hans/pkg/brew/fypp/) - Build dependency declared by Homebrew. - [gromacs](https://www.automicvault.com/zh-hans/pkg/brew/gromacs/) - Shares av.db curated category or tags: cli, computational-chemistry, hpc, molecular-dynamics, molecular-simulation. - [nwchem](https://www.automicvault.com/zh-hans/pkg/brew/nwchem/) - Shares av.db curated category or tags: cli, computational-chemistry, hpc, molecular-simulation, quantum-chemistry. - [votca](https://www.automicvault.com/zh-hans/pkg/brew/votca/) - Shares av.db curated category or tags: cli, computational-chemistry, molecular-simulation, science. - [lammps](https://www.automicvault.com/zh-hans/pkg/brew/lammps/) - Shares av.db curated category or tags: cli, molecular-dynamics, science, simulation. - 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Shared terms: cli, fftw, gcc, grid, libomp. ## Sources - Nucleus package database - Geiger risk classifier - package-page enrichment - package version freshness - av.db category and tag curation - package relationship graph - external package-manager database matches - cross-ecosystem install command graph