Installation and Quickstart

The easiest way to install chemlab is to use the Anaconda python distribution from the following link.

Then you can run the following command:

You can also install chemlab on Ubuntu 14.04 using apt. First install the dependencies:

$ sudo apt-get install python-numpy python-scipy python-opengl cython python-matplotlib python-qt4-gl python-qt4

Then install chemlab from the included:

$ sudo python install
NOTE: For python3 support install the corresponding python3
packages available in your distribution or use pip.

Once you’re setup, you’re ready to to dig in chemlab’s features. You may start from the User Manual.


After installing the dependencies, grab the chemlab source from git:

$ git clone --recursive

Complile the included extensions:

$ python build_ext --inplace

Just add the chemlab directory to the PYTHONPATH in your .bashrc:

export PYTHONPATH=$PYTHONPATH:/path/to/chemlab