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cp2k/docs/getting-started/distributions.md
SY Wang f577188f47
Toolchain: Replace "scripts/generate_cmake_options.sh" with "build_cp2k.sh" (#5080) 
Co-authored-by: HE Zilong <159878975+he-zilong@users.noreply.github.com>
2026-04-26 12:40:37 +02:00

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Install from Distribution

The easiest way to get started with CP2K is to install it from a distribution.

The pre-compiled package from distributions may not performs as well as package
built from source, as it usually adopts a conservative compilation strategy to
ensure broad compatibility.

Arch

$ pacman -S cp2k

See also archlinux.org.

Conda

$ conda install conda-forge::cp2k

See also anaconda.org.

Debian / Ubuntu

$ apt-get install cp2k

See also debian.org and ubuntu.com.

Docker

$ docker pull cp2k/cp2k

See also hub.docker.com and cp2k-containers.

Easybuild

$ eb --software-name=CP2K --toolchain=foss,2023a

See also easybuild.io.

Fedora

$ dnf install cp2k

See also fedoraproject.org

FreeBSD

$ pkg install cp2k

See also freshports.org.

Homebrew

$ brew install cp2k

See also brew.sh.

NixOS

$ nix-shell -p cp2k

See also nixos.org.

Nvidia GPU Cloud

$ docker pull nvcr.io/hpc/cp2k:v2023.2

See also ngc.nvidia.com.

Spack

$ spack install cp2k

See also spack.io and .