Installation

atomrdf can be installed on Linux and Mac OS based systems. On Windows systems, it is recommended to use Windows subsystem for Linux. The following instructions will help install atomrdf:

pip

pip install atomrdf

conda

conda install -c conda-forge atomrdf

from source

We strongly recommend creating a conda environment for the installation. To see how you can install conda see here.

Once a conda distribution is available, the following steps will help set up an environment to use atomrdf. First step is to clone the repository.

git clone https://github.com/pyscal/atomrdf.git

After cloning, an environment can be created from the included file-

cd atomrdf
conda env create -f environment.yml

This will install the necessary packages and create an environment called rdf. It can be activated by,

conda activate rdf

then, install atomrdf using,

pip install .