Installation¶
MDSuite may be installed either directly from pip or from source.
Pip Install¶
MDSuite is hosted on the PyPi repository and there can be installed by the following:
pip install mdsuite
Alternatively, you may wish to install the main branch directly from source.
From Source¶
From the directory in which you wish to store MDSuite, run
git clone https://github.com/SamTov/MDSuite.git
Once the directory has finished cloning, change into the MDSuite directory, and run
pip3 install .
Or if you want to install as developer:
pip3 install -e .
which will install the mdsuite package as a python library. Once this has been done, you can simply call mdsuite from any of your python projects with
import mdsuite
or with an alias you prefer. We usually run with
import mdsuite as mds
Once you have installed the package, go and check out the tutorials directory to see how you can start using it to analyze your own simulations.