Installation

Requirements

Documentation

You may use the online documentation from ReadTheDocs, or you may build the documentation yourself:

Building the documentation

The documentation is build with sphinx. To install sphinx, run

conda install sphinx

or

pip install sphinx

To build the documentation, run the following commands in the source directory:

cd doc
make html
# Then open build/html/index.html

To build a PDF of the documentation (requires LaTeX and/or PDFLaTeX):

cd doc
make latexpdf
# Then open build/latex/freud.pdf

Installation

Install freud via conda, glotzpkgs, or compile from source.

Install via conda

The code below will enable the glotzer conda channel and install freud.

conda config --add channels glotzer
conda install freud

Install via glotzpkgs

Please refer to the official glotzpkgs documentation.

First, make sure you have a working glotzpkgs environment.

# install from provided binary
gpacman -S freud
# installing your own version
cd /path/to/glotzpkgs/freud
gmakepkg
# tab completion is your friend here
gpacman -U freud-<version>-flux.pkg.tar.gz
# now you can load the binary
module load freud

Compile from source

It is easiest to install freud with a working conda install of the required packages:

  • python (2.7, 3.4, 3.5, 3.6)
  • numpy
  • boost (2.7, 3.3 provided on flux, 3.4, 3.5)
  • icu (requirement of boost)
  • cython (not required, but a correct _freud.cpp file must be present to compile)
  • tbb
  • cmake

The code that follows creates a build directory inside the freud source directory and builds freud:

mkdir build
cd build
cmake ../
# Use `cmake ../ -DENABLE_CYTHON=ON` to rebuild _freud.cpp
make install -j4

By default, freud installs to the USER_SITE directory. USER_SITE is on the Python search path by default, so there is no need to modify PYTHONPATH.

To run out of the build directory, run make -j4 instead of make install -j4 and then add the build directory to your PYTHONPATH.

Note

freud makes use of submodules. CMake has been configured to automatically init and update submodules. However, if this does not work, or you would like to do this yourself, please execute:

git submodule update --init

Unit Tests

Run all unit tests with nosetests in the source directory. To add a test, simply add a file to the tests directory, and nosetests will automatically discover it. Read this introduction to nosetests for more information.

# Install nose
conda install nose
# Run tests from the source directory
nosetests