# Installation

The OpenFF Evaluator is currently installable either through `conda` or directly from the source code. Whichever route is chosen, it is recommended to install the framework within a conda environment and allow the conda package manager to install the required and optional dependencies.

More information about conda and instructions to perform a lightweight miniconda installation can be found here. It will be assumed that these have been followed and conda is available on your machine.

## Installation from Conda

To install the `openff-evaluator` from the `omnia` channel, simply run:

    conda install -c conda-forge -c omnia openff-evaluator

## Recommended Dependencies

If you have access to the fantastic OpenEye toolkit we recommend installing this to enable (among many other things) the use of the `BuildDockedCoordinates` protocol and faster conformer generation / AM1BCC partial charge calculations:

    conda install -c openeye openeye-toolkits

To parameterize systems with the Amber `tleap` tool using a `TLeapForceFieldSource` the `ambertools` package must be installed:

    conda install -c ambermd 'ambertools >=19.0'

## Installation from Source

To install the OpenFF Evaluator from source begin by cloning the repository from github:

    git clone https://github.com/openforcefield/openff-evaluator.git
    cd openff-evaluator

Create a custom conda environment which contains the required dependencies and activate it:

    conda env create --name openff-evaluator --file devtools/conda-envs/test_env.yaml
    conda activate openff-evaluator

Finally, install the estimator itself:

    python setup.py develop