CP2K Open Source Molecular Dynamics

User Tools

Site Tools

Trace: • hint_insufficiently_exploiting_cpu_extensions • md • compile_on_windows • index • ex01 • error_handling • compile_on_macos
howto:compile_on_macos

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision		Previous revision
howto:compile_on_macos [2024/01/24 13:35] – Add check krackhowto:compile_on_macos [2025/08/22 10:48] (current) – Update macOS version krack
Line 1: Line 1:
 ====== Compile CP2K on macOS ====== ====== Compile CP2K on macOS ======
  
-This page describes how CP2K can be installed under [[https://en.wikipedia.org/wiki/MacOS|macOS]] ([[https://en.wikipedia.org/wiki/MacOS_Monterey|Monterey]], [[https://en.wikipedia.org/wiki/MacOS_Ventura|Ventura]], and [[https://en.wikipedia.org/wiki/MacOS_Sonoma|Sonoma]] +This page describes how CP2K can be installed under [[https://en.wikipedia.org/wiki/MacOS|macOS]] ([[https://en.wikipedia.org/wiki/MacOS_Monterey|Monterey]], [[https://en.wikipedia.org/wiki/MacOS_Ventura|Ventura]], [[https://en.wikipedia.org/wiki/MacOS_Sonoma|Sonoma]], and 
-). This howto has last been tested on an Apple M1 under macOS Sonoma 14.3 (Darwin Kernel Version 23.3.0, Homebrew 4.2.5). For further details check the corresponding Darwin-gnu-arm64 [[https://github.com/cp2k/cp2k/blob/master/arch/Darwin-gnu-arm64.psmp|arch file]] and [[https://dashboard.cp2k.org/archive/darwin-gnu-arm64-psmp/index.html|regression tester]]. This howto assumes that your default shell is ''bash''.+[[https://en.wikipedia.org/wiki/MacOS_Sequoia|Sequoia]]). This howto has last been tested on an Apple M1 under macOS Sequoia 15.6.1 (Darwin Kernel Version 24.6.0, Homebrew 4.6.4). For further details check the corresponding Darwin-gnu-arm64 [[https://github.com/cp2k/cp2k/blob/master/arch/Darwin-gnu-arm64.psmp|arch file]] and [[https://dashboard.cp2k.org/archive/darwin-gnu-arm64-psmp/index.html|regression tester]]. This howto assumes that your default shell is ''bash''.
  
 ==== 1. Install Homebrew ==== ==== 1. Install Homebrew ====
Line 10: Line 10:
 /bin/bash -c "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/HEAD/install.sh)" /bin/bash -c "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/HEAD/install.sh)"
 </code> </code>
-which will install the latest Homebrew version. This howto was tested with Homebrew 3.6.11 as well as with newer versions up to 4.2.5.+which will install the latest Homebrew version. This howto was tested with Homebrew 3.6.11 as well as with newer versions up to 4.4.19.
  
 === a) The easy way === === a) The easy way ===
Line 32: Line 32:
 Create the following links Create the following links
 <code> <code>
-ln -s /opt/homebrew/bin/gcc-13 /opt/homebrew/bin/gcc +ln -s /opt/homebrew/bin/gcc-14 /opt/homebrew/bin/gcc 
-ln -s /opt/homebrew/bin/g++-13 /opt/homebrew/bin/g++ +ln -s /opt/homebrew/bin/g++-14 /opt/homebrew/bin/g++ 
-ln -s /opt/homebrew/bin/gfortran-13 /opt/homebrew/bin/gfortran+ln -s /opt/homebrew/bin/gfortran-14 /opt/homebrew/bin/gfortran
 </code> </code>
 to make Homebrew's latest ''gcc'' and ''g++'' compilers the default instead of the clang versions in ''/usr/bin''. Check with to make Homebrew's latest ''gcc'' and ''g++'' compilers the default instead of the clang versions in ''/usr/bin''. Check with
Line 44: Line 44:
 ==== 2. Obtain CP2K ==== ==== 2. Obtain CP2K ====
  
-Checkout the latest CP2K version available from the [[https://github.com/cp2k/cp2k/|CP2K GitHub repository]] using+Checkout the latest CP2K (master) version available from the [[https://github.com/cp2k/cp2k/|CP2K GitHub repository]] using
 <code> <code>
 git clone --recursive https://github.com/cp2k/cp2k.git cp2k git clone --recursive https://github.com/cp2k/cp2k.git cp2k
 +</code>
 +or the latest CP2K release version
 +<code>
 +git clone --recursive -b support/v2024.3 https://github.com/cp2k/cp2k.git cp2k
 </code> </code>
  
howto/compile_on_macos.1706103309.txt.gz · Last modified: by krack