You can install qcelemental with
conda or with
You can install qcelemental using conda:
>>> conda install qcelemental -c conda-forge
This installs QCElemental and its dependencies. The qcelemental package is maintained on the conda-forge channel.
You can also install QCElemental using
>>> pip install qcelemental
Test the Installation¶
You can test to make sure that QCElemental is installed correctly by first installing
>>> conda install pytest -c conda-forge
>>> pip install pytest
Then, run the following command:
>>> pytest --pyargs qcelemental
Developing from Source¶
If you are a developer and want to make contributions to QCElemental, you can access the source code from github.