package:installation:macos
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package:installation:macos [2024/04/26 11:41] – pbloechl | package:installation:macos [2024/04/26 17:37] (current) – pbloechl | ||
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- | ==== Installation of CPPAW on MacOS ==== | + | ====== Installation of CPPAW on MacOS ====== |
- | [[: | + | Up to [[: |
FIXME Someone should verify that this description is complete and correct. Then this fixme can be removed. | FIXME Someone should verify that this description is complete and correct. Then this fixme can be removed. | ||
- | == Xcode == | + | ==== Xcode ==== |
- | MacOS has the compiler " | + | - MacOS has the compiler " |
+ | - Check if the "Xcode Command Line Tools" are installed on your system. You can check this [[https:// | ||
- | Check if the "Xcode Command Line Tools" are installed on your system. You can check this [[https:// | + | ==== Homebrew ==== |
- | == Homebrew == | + | - Homebrew is a package manager for software on MacOS. If it is not already installed, follow the instructions on the [[https:// |
- | + | | |
- | Homebrew is a package manager for software on MacOS. If it is not already installed, follow the instructions on the [[https:// | + | |
- | + | ||
- | Homebrew should automatically manage and install dependencies of software packages. Installations might therefore take a while on a new machine, where many dependencies need to be installed. | + | |
- | + | ||
- | Install | + | |
- | < | + | |
brew install gcc | brew install gcc | ||
- | </ | ||
- | Install Message Passing Interface library for parallel computation: | ||
- | < | ||
brew install open-mpi | brew install open-mpi | ||
- | </ | ||
- | Install FFTW, a library for performing fast discrete Fourier transform: | ||
- | < | ||
brew install fftw --with-fortran | brew install fftw --with-fortran | ||
- | </ | ||
- | Install LibXC, a library for density functionals: | ||
- | < | ||
brew install libxc | brew install libxc | ||
- | </ | ||
- | Install Grace, a plotting tool used for data analysis. '' | ||
- | < | ||
brew install grace | brew install grace | ||
brew install --cask xquartz | brew install --cask xquartz | ||
- | </ | + | </ |
+ | * gcc: GNU Compiler Collection containing '' | ||
+ | * open-mpi: Message Passing Interface (MPI) library for parallel computation | ||
+ | * fftw: library performing fast discrete Fourier transforms | ||
+ | * libxc: library for density functionals. The libxc library has to be built with the parameters "'' | ||
+ | * grace: plotting tool used for data analysis | ||
+ | * xquartz: support for X11 on MacOS | ||
- | == CP-PAW == | + | ==== CP-PAW |
- | - Unpack the CP-PAW distribution into a directory, whose path will be called '' | + | - Unpack the CP-PAW distribution into a directory, whose path will be called '' |
- Add the directory '' | - Add the directory '' | ||
- Create a file [[: | - Create a file [[: | ||
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- | | + | |
- 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.) | - 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 '' | - Increase the stack size and the core-dump size by including the following commands in your '' |
package/installation/macos.1714131675.txt.gz · Last modified: 2024/04/26 11:41 by pbloechl