CP2K Open Source Molecular Dynamics

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====== Downloading CP2K ======

===== What can be downloaded ? =====

The source of CP2K is open and freely available for everybody under
[[http://www.gnu.org/licenses/gpl.html#TOC1| the GPL license]].

Installation instructions can be found [[howto:compile | on the wiki]] and in the [[https://github.com/cp2k/cp2k/blob/master/INSTALL.md|INSTALL.md]] file which is part of the download.

The sparse matrix library DBCSR is part of CP2K, and made available standalone at [[dbcsr | the DBCSR page]].

===== Available versions of CP2K =====

^   Development Version   ^  Released Version  ^
|<WRAP>
  * Most recent
  * All new features
  * Potentially unstable / buggy
  * only available via Git
</WRAP> | <WRAP>
  * Older
  * Stable, no ongoing development
  * All major functionality in good shape
  * Only rare backports of bug fixes (as time permits)
</WRAP>|

Looking at [[version_history| the version history]] might help you to decide.

===== How to download =====

==== From an official release ====

Sources of released versions are available at our [[https://github.com/cp2k/cp2k/releases/ |GitHub project page]]. Please use the versioned tarballs (''cp2k-X.Y.tar.bz2'').

Alternatively, precompiled single node, optimised CP2K versions for Linux support are available as well.

==== From a Distribution ====

[[https://packages.debian.org/search?keywords=cp2k|{{debian_logo.png?100}}]]
[[https://src.fedoraproject.org/rpms/cp2k|{{fedora_logo.png?150}}]]
[[https://packages.ubuntu.com/search?keywords=cp2k|{{ubuntu_logo.png?150}}]]
[[https://aur.archlinux.org/packages/cp2k|{{arch_linux_logo.png?150}}]]
[[https://formulae.brew.sh/formula/cp2k|{{homebrew_logo.png?150}}]]
[[https://hub.docker.com/r/cp2k/cp2k|{{docker_logo.png?150}}]]
[[https://catalog.ngc.nvidia.com/orgs/hpc/containers/cp2k|{{nvidia-ngc.png?150}}]]
[[http://easybuild.readthedocs.io/en/latest/version-specific/Supported_software.html#list-software-cp2k-272|{{easybuild_logo_alpha.png?150}}]]
[[https://packages.spack.io/package.html?name=cp2k|{{spack-logo.png?100}}]]
[[https://anaconda.org/conda-forge/cp2k|{{conda_forge_logo.png?150}}]]
[[https://search.nixos.org/packages?query=cp2k|{{nixos_logo.png?150}}]]
[[https://www.freshports.org/science/cp2k/|{{freebsd_logo.png?150}}]]

==== From a third party ====

  * Debian/Ubuntu alternative: http://packages.mccode.org/

==== Install CP2K on other Operating Systems ====

  * [[https://www.cp2k.org/howto:compile_on_windows|Windows]]
  * [[https://www.cp2k.org/howto:compile_on_macos|MacOS]]

/*
[[https://www.cp2k.org/howto:compile_on_windows|{{Windows_2021.png?150 }}]]
[[https://www.cp2k.org/howto:compile_on_macos|{{ MacOS-logo.png?100 }}]]
*/

==== Git Access ====

<note warning>
The code in Git is under constant development. Check the [[http://dashboard.cp2k.org| Dashboard]] for current issues. 
</note>

The [[https://git-scm.com/|Git]] (''git'') program must be installed on your machine for this to work.

=== Initial checkout ===

The latest and all prior versions are available from the [[https://github.com/cp2k/cp2k/|CP2K GitHub repository]]. 

To clone the current master:

<code>
git clone --recursive https://github.com/cp2k/cp2k.git cp2k
</code>

or to directly checkout a branch (check the [[https://github.com/cp2k/cp2k/|CP2K GitHub project page]] for available branches):

<code>
git clone --recursive -b support/v2024.1 https://github.com/cp2k/cp2k.git cp2k
</code>

=== Keeping your clone up-to-date (Git >= 2.14) ===

Set the following once on your CP2K Git clone. It will tell Git to automatically update included submodules as well and to always use rebase instead of merge.

<code>
cd cp2k
git config submodule.recurse true
git config pull.rebase true
</code>

After setting this option, update with the following:

<code>
cd cp2k
git pull
</code>

If you want to set the options globally (valid for all Git commands on your machine), you can use the ''%%--%%global'' parameter for ''git config'':

<code>
git config --global submodule.recurse true
git config --global pull.rebase true
</code>

=== Keeping your clone up-to-date (Git < 2.14) ===

Set the following once on your CP2K Git clone. It will tell Git to always use rebase instead of merge.

<code>
cd cp2k
git config pull.rebase true
</code>

After setting this option, update with the following:

<code>
cd cp2k

git pull
git submodule update --recursive
</code>