package:installation:macos
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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. | ||
- | In 2020 Apple released the M1 chip with an ARM architecture which differs from the x86 used by Intel. Following this release, many programs, libraries and compilers needed to be adapted to run on the new architecture. Therefore, the guide is split into Intel and Apple Silicon used in Apple computers. Note, that the ecosystem around Apple Silicon is constantly evolving at the moment of writing these instructions. | + | ==== Xcode ==== |
- | === Apple Silicon | + | |
+ | - Check if the "Xcode Command Line Tools" are installed on your system. You can check this [[https:// | ||
- | == Xcode == | + | ==== Homebrew ==== |
- | Check if Xcode Command Line Tools is installed on your system. You can check this [[https:// | + | - Homebrew is a package manager for software |
- | + | | |
- | == Homebrew == | + | |
- | + | ||
- | Homebrew is a convenient | + | |
- | + | ||
- | 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 | ||
- | </ | + | brew install fftw --with-fortran |
- | Install FFTW, a library for performing fast discrete Fourier transform: | + | |
- | < | + | |
- | brew install fftw | + | |
- | </ | + | |
- | 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 '' | ||
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- Check if the code is available by running '' | - Check if the code is available by running '' | ||
- | === Intel Silicon - x86 === | ||
- | == Xcode == | ||
- | |||
- | MacOS has the compiler " | ||
- | of Xcode. (Check the web for installation instructions). | ||
- | |||
- | == Homebrew == | ||
- | I am installing Linux programs using [[https:// | ||
- | < | ||
- | brew install fftw --with-fortran | ||
- | brew install openmpi | ||
- | brew install grace | ||
- | </ | ||
- | |||
- | |||
- | == PAW == | ||
- | |||
- | - Unpack the PAW distribution into a directory, which I will name PAWDIR in the following. | ||
- | - add the directory PAWDIR/ | ||
- | - Create a file [[: | ||
- | - Check the values of the parameters FFTDIR, FFTHEADER, MPIDIR, and MPIDIR in " | ||
- | - execute in PAWDIR | ||
- | | ||
- | | ||
- | make all </ | ||
- | - 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 '' | ||
- | ulimit -s 65532 | ||
- | ulimit -c unlimited </ | ||
- | |||
- | | ||
| | ||
| | ||
package/installation/macos.1714130659.txt.gz · Last modified: 2024/04/26 11:24 by pbloechl