Installation 🚀

pip

you can install the latest stable release using pip

pip install atomsmtlr

install from source

You can also install atomsmltr from our github repository. In our git development workflow, we have three main branches: main for stable relases, testing for development versions that should work most of the time and devel for the implementation of new, more experimental features. If you want to benefit from the latest features, we encourage you to use the testing branch.

First, clone the repository

git clone https://github.com/adareau/atomSmltr.git
cd atomSmltr
git checkout testing

We strongly encourage you to use a virtual environment

python3 -m venv __venv__
source ./__venv__/bin/activate

Then you can use pip

pip install .

That’s it, you should be good to go !!