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1.3.1. Disclaimer¶
HORTON has been tested on Mac OS X 10.8–10.11 using MacPorts. If you are running any other version of OS X or if you are using other package managers, some of the instructions below may not work. Mac OS Features – CompTIA A+ 220-902 – 2.1 There are a number of utility and features that are unique to Mac OS X. In this video, you'll learn about Mission Control, Keychain, Spotlight, iCloud, and more.
HORTON has been tested on Mac OS X 10.8–10.11 using MacPorts. If youare running any other version of OS X or if you are using other packagemanagers, some of the instructions below may not work.
1.3.2. MacPorts¶
We strongly recommend that you install all of the packages required by HORTONthrough MacPorts. The latest version of MacPorts can be downloaded from the web:https://www.macports.org/install.php. This guide has been tested usingMacPorts 2.3.3 but should also work with newer versions.
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If you have already installed a Python distribution (with another packagemanager than MacPorts), such as Canopy, it may interfere with the oneinstalled through MacPorts. The instructions below assume that no such otherinstallation of Python is present.
1.3.2.1. Quick tour of MacPorts¶
Here are some basic MacPorts commands:
updating ports (recommended):
upgrade ports:
finding ports (e.g, port_name = python27):
searching ports (e.g, port_name = python27):
installing ports (e.g, port_name = python27):
selecting ports (e.g, select python27 as python):
1.3.3. Packaged dependencies for building, installing and testing HORTON¶
In order to compile and test HORTON, you need to install relatively recentversions of the following programs/libraries:
- GCC, G++ and GFortran >=4.9: http://gcc.gnu.org (In principle the Intel compilers or any other combination of C++11 and Fortran compiler should work. The GNU compilers are used for development and testing.)
- Python >=2.7,<3.0: http://www.python.org/ (Also install development files.)
- Nosetests >=1.1.2: http://readthedocs.org/docs/nose/en/latest/
- NumPy >=1.9.1: http://www.numpy.org/
- SciPy >=0.11.0: http://www.scipy.org/
- Cython >=0.24.1: http://www.cython.org/
- H5Py >=2.2.1: http://www.h5py.org/
- Matplotlib >=1.0: http://matplotlib.org/
- LibXC 2.2.2: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc (Also install development files.)
- LibInt 2.0.3: http://sourceforge.net/p/libint/home (Also install development files.)
- Curl >=7.0: http://curl.haxx.se/
- PIP >=7.0: https://pip.pypa.io/ (Not required in some scenarios but never bad to have.)
Nearly all dependencies can be installed with MacPorts. We recommend the following ports:
gcc49: https://trac.macports.org/browser/trunk/dports/lang/gcc49/Portfilepython27: https://trac.macports.org/browser/trunk/dports/lang/python27/Portfilepy27-nose: https://trac.macports.org/browser/trunk/dports/python/py-nose/Portfilepy27-numpy: https://trac.macports.org/browser/trunk/dports/python/py-numpy/Portfilepy27-scipy: https://trac.macports.org/browser/trunk/dports/python/py-scipy/Portfilepy27-cython: https://trac.macports.org/browser/trunk/dports/python/py-cython/Portfilepy27-h5py: https://trac.macports.org/browser/trunk/dports/python/py-h5py/Portfilepy27-matplotlib: https://trac.macports.org/browser/trunk/dports/python/py-matplotlib/Portfilelibint: https://trac.macports.org/browser/trunk/dports/science/libint/Portfilepy27-pip: https://trac.macports.org/browser/trunk/dports/python/py-pip/Portfile
These are installed with the following commands. (When MacPorts is installed in userspace, the sudo can be omitted.):
At the time of writing, there is still a small glitch in the MacPorts installation of theLibXC dependency. To get around this, you will have to install LibXC manually, asexplained further below.
1.3.4. Download HORTON¶
The latest stable source code release of HORTON can be downloaded here:
Choose a suitable directory, e.g. ~/build, download and unpack the archive:
The commands above will also check the integrity of the downloaded file. If the downloadfailed, the partial or broken download will be removed. In case of faillure, it is usuallysufficient just to retry.
1.3.5. From-source dependencies for building, installing and testing HORTON¶
Normally, the following are not needed, but may be useful in case of difficulties with theinstallation of LibXC and LibInt through MacPorts.
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LibXC
The directory tools/qa of the HORTON source tree contains scripts to download andbuild LibXC, which will work on most systems:
This results in a LibXC library suitable for compiling HORTON. Grove guardians mac os. If this fails,consult your local Mac guru to build LibXC. If you decided to make a custom compilationof LibXC, keep in mind that it is not reliable when using aggressive compiler optimizationflags. For more info about LibXC, check the website:http://www.tddft.org/programs/octopus/wiki/index.php/Libxc
LibInt2
Ai racer mac os. The directory tools/qa of the HORTON source tree contains scripts to download andbuild LibInt2, which will work on most systems:
The compilation of LibInt2 takes a few minutes and results in a library suitable forcompiling HORTON. If this fails, consult your local Mac guru to build LibInt2. For moreinfo about LibInt2, check the website: https://github.com/evaleev/libint
1.3.6. Build and Install HORTON¶
The regular build and install is done as follows:
The setup.py script makes a reasonable attempt configuring the compiler andlinker settings for the LibXC and LibInt2 libraries. However, this does not work in allenvironments. In case of a failure, or if a configuration other than the default isdesired, read Controlling dynamic/static linking against LibXC and LibInt2.
1.3.7. Runtime configuration¶
You need to set some environment variables to use HORTON. Add the following to~/.bash_profile if it exists, otherwise add them to ~/.profile:
If you run HORTON on a headless node, i.e. without an X server, you need toconfigure Matplotlib to use a backend that does not require a graphical userinterface. (See http://matplotlib.org/faq/usage_faq.html#what-is-a-backend formore details on the Matplotlib backends.) This can be done by adding thefollowing line to your matplotlibrc file:
This file is located either in ${HOME}/.matplotlib or${HOME}/.config/matplotlib.
1.3.8. Test HORTON¶
To test that HORTON was installed properly and that you can can access it fromother directories, you should change to a directory outside of the source treeand call nosetests as follows:
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