tips:howto_macosx
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tips:howto_macosx [2015/04/20 10:43] – [Comments] Marc Torrent | tips:howto_macosx [2015/04/20 10:45] – [Using Homebrew package manager] Marc Torrent | ||
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+ | ====== How to install ABINIT on Mac OSX ====== | ||
+ | |||
+ | < | ||
+ | //This manpage is available as ~abinit_src_dir/ | ||
+ | |||
+ | \\ \\ | ||
+ | < | ||
+ | ===== Using Homebrew package manager ===== | ||
+ | < | ||
+ | |||
+ | //A Homebrew formula for ABINIT has been released (authors: D. Davydov + M. Torrent).// | ||
+ | \\ \\ | ||
+ | //Available from ABINIT v7.10.2\\ | ||
+ | Tested with mac OS X v10.10 (Yosemite); | ||
+ | Should be OK for v10.8 (Mountain Lion), v10.9 (Mavericks).\\ | ||
+ | Homebrew is available at [[http:// | ||
+ | |||
+ | ==== Prerequesites ==== | ||
+ | |||
+ | * Homebrew installed (see this [[http:// | ||
+ | |||
+ | * Notes: | ||
+ | * Homebrew needs '' | ||
+ | |||
+ | ==== Installing ABINIT ==== | ||
+ | |||
+ | * Just type:< | ||
+ | brew install homebrew/ | ||
+ | |||
+ | * ABINIT should install smoothly... with its dependencies. | ||
+ | |||
+ | ==== Comments ==== | ||
+ | |||
+ | * '' | ||
+ | |||
+ | |||
+ | * The following options are available for ABINIT formula: | ||
+ | * '' | ||
+ | * '' | ||
+ | * '' | ||
+ | * '' | ||
+ | * '' | ||
+ | * '' | ||
+ | |||
+ | |||
+ | \\ \\ | ||
+ | < | ||
+ | ===== Using MacPorts package manager ===== | ||
+ | < | ||
+ | |||
+ | //Available from ABINIT v7.4.3 \\ | ||
+ | Tested with mac OS X v10.8 (Mountain Lion), v10.9 (Mavericks), | ||
+ | MacPorts is available at [[http:// | ||
+ | |||
+ | ==== Prerequesites ==== | ||
+ | |||
+ | * MacPorts installed (see this [[https:// | ||
+ | |||
+ | * Some basic ports already installed: | ||
+ | * gcc with Fortran variant (Fortran compiler), | ||
+ | * mpich or openmpi (MPI) | ||
+ | |||
+ | * Before starting, it is preferable to update MacPorts system: < | ||
+ | sudo port selfupdate | ||
+ | sudo port upgrade outdated</ | ||
+ | |||
+ | * Notes: | ||
+ | * It is recommended to completely reinstall MacPorts after a MacOS upgrade. | ||
+ | * MacPorts needs '' | ||
+ | |||
+ | ==== 1- Using official ABINIT port ==== | ||
+ | |||
+ | * There are available ports in the MacPorts system for some ABINIT versions.\\ They have been originally created by ABINIT developers, but it they are not necessarily maintained for all ABINIT versions. | ||
+ | |||
+ | * Try first to install official ABINIT port: < | ||
+ | sudo port install abinit</ | ||
+ | |||
+ | * If the lastest ABINIT is successfully installed, it's OK for you.\\ If not, follow the procedure 2- below. | ||
+ | |||
+ | |||
+ | ==== 2- Using ABINIT port from ftp.abinit.org ==== | ||
+ | |||
+ | === 2.a- Preparing your MacPorts installation === | ||
+ | |||
+ | * You need to create a local repository designed to receive local ports.\\ Let's name it '' | ||
+ | LOCAL_REPOSITORY=/ | ||
+ | LOCAL_REPOSITORY=/ | ||
+ | |||
+ | * Edit the file '' | ||
+ | file:// | ||
+ | rsync:// | ||
+ | |||
+ | * Create the directory: '' | ||
+ | |||
+ | === 2.b- Installing ABINIT === | ||
+ | |||
+ | * Download the "// | ||
+ | |||
+ | * Untar the file in the local repository:< | ||
+ | cd LOCAL_REPOSITORY/ | ||
+ | tar -xvzf Portfile.tar.gz</ | ||
+ | |||
+ | * Update your local repository index:< | ||
+ | cd LOCAL_REPOSITORY | ||
+ | sudo portindex</ | ||
+ | |||
+ | * Install ABINIT port:< | ||
+ | sudo port install abinit @X.Y.Z</ | ||
+ | |||
+ | ==== ABINIT port variants ==== | ||
+ | |||
+ | * By default, ABINIT is installed with the following plugins/ | ||
+ | |||
+ | * Linking ABINIT to '' | ||
+ | sudo port install abinit @X.Y.Z +fftw3</ | ||
+ | |||
+ | * Installing a multi-threaded ('' | ||
+ | sudo port install abinit @X.Y.Z +threads</ | ||
+ | |||
+ | * Installing '' | ||
+ | sudo port install abinit @X.Y.Z +atompaw</ | ||
+ | |||
+ | * It is possible to mix all previous variants:< | ||
+ | sudo port install abinit @X.Y.Z +fftw3+threads+atompaw</ | ||
+ | |||
+ | * Other options available by typing:< | ||
+ | port info abinit</ | ||
+ | |||
+ | |||
+ | \\ \\ | ||
+ | < | ||
+ | ===== Compiling ABINIT by yourself under Mac OSX ===== | ||
+ | < | ||
+ | |||
+ | |||
+ | ==== Prerequesites ==== | ||
+ | |||
+ | * '' | ||
+ | |||
+ | * '' | ||
+ | |||
+ | * A Fortran compiler installed.\\ Possible options: | ||
+ | * '' | ||
+ | * g'' | ||
+ | * '' | ||
+ | * '' | ||
+ | * ... | ||
+ | |||
+ | * A MPI library installed (If you want to benefit from parallelism; | ||
+ | * '' | ||
+ | * '' | ||
+ | * ... | ||
+ | |||
+ | ==== Installing ABINIT ==== | ||
+ | |||
+ | * Create a working directory:< | ||
+ | cd abinit_src_dir | ||
+ | mkdir build && cd build</ | ||
+ | |||
+ | * Configure: | ||
+ | * Sequential ABINIT:< | ||
+ | ../ | ||
+ | * Parallel ABINIT (only with MPI installed):< | ||
+ | ../ | ||
+ | | ||
+ | |||
+ | * Compile:< | ||
+ | make mj4</ | ||
+ | |||
+ | * Install (optional):< | ||
+ | make install</ | ||
+ | |||
+ | ==== Comments ==== | ||
+ | * To benefit from the " | ||
+ | ../ | ||
+ | |||
+ | |||
+ | \\ \\ | ||
+ | \\ \\ | ||
+ | < | ||
+ | //Author: M. Torrent, April 2015// | ||
tips/howto_macosx.txt · Last modified: 2016/01/31 18:54 by Marc Torrent