install.rst

Installing alchemlyb

alchemlyb is available via the pip and conda package managers and can easily be installed with all its dependencies. Alternatively, it can also be directly installed from source

conda installation

The easiest way to keep track of all dependencies is to install alchemlyb as a conda package from the conda-forge (alchemlyb) channel :

conda install -c conda-forge alchemlyb 

You can later update your installation with :

conda update -c conda-forge alchemlyb

pip installation

Install via pip from PyPi (alchemlyb) :

pip install alchemlyb

Update with :

pip install --update alchemlyb

Installing from source

To install from source, first clone the source code repository https://github.com/alchemistry/alchemlyb from GitHub with :

git clone https://github.com/alchemistry/alchemlyb.git

and then install with pip :

cd alchemlyb
pip install .