From your home directory, install PolyConstruct from Git:
cd ~
git clone https://github.com/OMaraLab/polyconstruct.git
Then navigate to polyconstruct:
cd polyconstruct
To setup polyconstruct, run:
conda create --name polyconstruct-env
conda activate polyconstruct-env
pip install -r requirements.txt
If you recieve an error in the last step, it may be from the Python version on
your computer setup, as PolyTop has a strict requirement for version 3.10. Run
the below commands then repeat pip install -r requirements.txt :
conda uninstall python
conda install "python=3.10"
Then, build the PolyTop, PolyConf and PolyBuild packages:
cd polytop
pip install -e .
cd ../polyconf
pip install -e .
cd ../polybuild
pip install -e .