There are no official releases of MDSynthesis yet, but the master branch on GitHub gives the most current state of the package.
First install the dependencies. Since MDSynthesis uses HDF5 as the file format of choice for persistence, you will need to install the libraries either using your package manager or manually.
On Ubuntu 14.04 this will be
apt-get install libhdf5-serial-1.8.4 libhdf5-serial-dev
and on Arch Linux
pacman -S hdf5
PyTables can be particularly picky, and it often fails to obtain its own dependencies. It is best to first install PyTables’ dependencies explicitly
pip install numpy numexpr Cython
Then install PyTables and everything else
pip install tables pip install pandas h5py MDAnalysis scandir
Then clone the repository and switch to the master branch
git clone firstname.lastname@example.org:dotsdl/MDSynthesis.git cd MDSynthesis git checkout master
Installation of the packages is as simple as
python setup.py build python setup.py install
This installs MDSynthesis in the system wide python directory; this may require administrative privileges.
It is also possible to use
--user options for
setup.py to install in a different (probably your private) python directory
python setup.py install --help should show you your options.