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

install with conda anaconda package platforms last updated

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 .