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package:installation:macos [2024/04/26 15:24] pbloechlpackage:installation:macos [2024/04/26 17:37] (current) pbloechl
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   * 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
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 ==== 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.1714145061.txt.gz · Last modified: 2024/04/26 15:24 by pbloechl

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