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--- package:installation:macos [2024/04/26 14:50] – pbloechl
+++ package:installation:macos [2024/04/26 17:37] (current) – pbloechl
@@ Line 20: / Line 20: @@
 brew install grace
 brew install --cask xquartz
 </code>
   * gcc: GNU Compiler Collection containing ''gfortran''
   * open-mpi: Message Passing Interface (MPI) library for parallel computation
   * 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 ====
-  - 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>
   - Create a file [[:package:installation:macosparmsfile|"parms.osx_gfortran_accelerate"]] in ''$PAWDIR''.
@@ Line 36: / Line 36: @@
      autoconf
      configure --with-parmfile=parms.osx_gfortran_accelerate
-     make -j8 fast_new fast_parallel_new tools docs
+     make -j8 </code> ''autoconf'' uses the file "configure.ac" to construct the "configure" file. You can skip this step, if a configure file is already present. After the ''configure'' command, you should get some information that ends with ''done!---configuration completed successfully!''. If not, inspect the error messages and fix them. The ''make'' command may take a considerable time, if you set up the code for the first time. You can try to speed the process up using the parallel make with the option "make -j10 all". "-j" specifies the number of processes that may run in parallel. However, be prepared if to restart make up a few times.
-     </code> ''autoconf'' uses the file "configure.ac" to construct the "configure" file. You can skip this step, if a configure file is already present. After the ''configure'' command, you should get some information that ends with ''done!---configuration completed successfully!''. If not, inspect the error messages and fix them. The ''make'' command may take a considerable time, if you set up the code for the first time. You can try to speed the process up using the parallel make with the option "make -j10 all". "-j" specifies the number of processes that may run in parallel. However, be prepared if to restart make up a few times.
   - Codesign: When you try to remotely execute unsigned code under macos, it will ask you for permission. This is painful when you run parallel code. Therefore it is advisable to sign the parallel executables. This is a fairly complicated procedure, which you need to look up. (FIXME This section could be expanded.)
   - Increase the stack size and the core-dump size by including the following commands in your ''~/.zshrc'' <code>