pip and native distribution package manager installation of MDAnalysis

We use the native distribution’s package manager for most of the pre-requisites and install any remaining packages (and MDAnalysis) with pip.

Linux

Note

All installations of pre-requisites are performed in system directories and require root access (via the sudo command). MDAnalysis can also be installed in a user directory by providing the --user option to pip.

Ubuntu 14.04

Recent Ubuntu distributions:

sudo apt-get update
sudo apt-get install -y build-essential python-dev python-setuptools python-pip
sudo apt-get install -y python-numpy python-scipy python-matplotlib python-biopython python-networkx ipython ipython-notebook
sudo apt-get install -y libhdf5-serial-dev libnetcdf-dev

sudo pip install netCDF4
sudo pip install MDAnalysis MDAnalysisTests

Debian 7.6, 7.8 Wheezy

Most recent Debian distributions should all work with the following:

sudo apt-get update
sudo apt-get install -y build-essential python-dev python-setuptools python-pip
sudo apt-get install -y python-numpy python-scipy python-matplotlib python-biopython python-networkx ipython ipython-notebook
sudo apt-get install -y libhdf5-serial-dev libnetcdf-dev

sudo pip install netCDF4
sudo pip install MDAnalysis MDAnalysisTests

Mac OS X (≥ 10.6.8)

Macports

Using macports:

sudo port install py27-numpy  py27-cython
sudo port install py27-scipy  py27-matplotlib py27-biopython py27-ipython+notebook
sudo port install hdf5 netcdf+dap+netcdf4

sudo pip install netCDF4
sudo pip install MDAnalysis MDAnalysisTests