chemgymrl.com

Installation

In this tutorial we will be going over how to install the chemgymrl library. For those of you who have used pyhton and opensource libraries in the past before this process will be very familiar to you, if you haven't, no worries we have created a video which will be of some help, you will find the same instructions here.

Clone Repository

The first step of the install process is to clone the repository, that can be done using the following command line instructions:

cd path/to/desired/install/location
git clone https://github.com/chemgymrl/chemgymrl.git

now that the repo has been installed we need to enter into the repository:

cd chemgymrl

Python Virtual Environment

ChemGymRL is set to use python 3, and more specifically python 3.8. The first step of this next part is to install python, if you already have python then the next step is to create a virtual environment using your favourite virtual environment tool. In this tutorial we will use virtualenv, but anaconda works as well. The next steps will show you how to create and activate the correct virtual environment:

python3.8 -m venv chemgymrl
source chemgymrl/bin/activate

Now that the virtual environment is created and activated we will now look to install all the correct packages.

Install Library

Now that everything is set up we simply seed to install the library. If you wish to make a lot of changes to the library and implement custom reactions, extractions etc. we recommend that you simply work out of the repository rather than install it as a library.

pip install .

Test The Installation

Now we simply need to test that the installation of the library is complete. To do so we simply need to run the following:

cd tests/unit
python3.8 -m unittest discover -p "*test*.py"

After you run this, you should get a line that says that all tests passed, if you get any errors please look at the troubleshooting page. Thank you for using ChemGymRL.