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package:installation:macos [2024/04/26 15:21] pbloechlpackage:installation:macos [2024/04/26 17:37] (current) pbloechl
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 brew install grace brew install grace
 brew install --cask xquartz brew install --cask xquartz
-</code>+</code> 
   * gcc: GNU Compiler Collection containing ''gfortran''   * gcc: GNU Compiler Collection containing ''gfortran''
   * open-mpi: Message Passing Interface (MPI) library for parallel computation   * open-mpi: Message Passing Interface (MPI) library for parallel computation
   * fftw: library performing fast discrete Fourier transforms   * fftw: library performing fast discrete Fourier transforms
-  * libxc: library for density functionals: +  * libxc: library for density functionals. The libxc library has to be built with the parameters "''-DDISABLE_KXC=OFF''" and "''-DDISABLE_LXC=OFF''" as options for cmake. 
-  * grace: plotting tool used for data analysis +  * grace: plotting tool used for data analysis  
-  * xquartz: support for X11 on MacOS:+  * xquartz: support for X11 on MacOS
  
 ==== CP-PAW ==== ==== CP-PAW ====
  
-  - Unpack the CP-PAW distribution into a directory, whose path will be called ''$PAWDIR'' in the following.+  - Unpack the CP-PAW distribution into a directory, whose path will be called ''$PAWDIR'' in the following and is the top directory of the distribution.
   - Add the directory ''$PAWDIR/bin/osx_gfortran_accellerate'' to your ''$PATH'' variable in your ~/.zshrc. <code> export PATH=$PATH:$PAWDIR/bin/osx_gfortran_accellerate</code>   - Add the directory ''$PAWDIR/bin/osx_gfortran_accellerate'' to your ''$PATH'' variable in your ~/.zshrc. <code> export PATH=$PATH:$PAWDIR/bin/osx_gfortran_accellerate</code>
   - Create a file [[:package:installation:macosparmsfile|"parms.osx_gfortran_accelerate"]] in ''$PAWDIR''.   - Create a file [[:package:installation:macosparmsfile|"parms.osx_gfortran_accelerate"]] in ''$PAWDIR''.
package/installation/macos.1714144907.txt.gz · Last modified: 2024/04/26 15:21 by pbloechl

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