Installation

The most convenient way to get PSIXAS to run is to use Psi4 via conda or miniconda. Let’s assume you created a new environment:

conda create -n p4env psi4 psi4-dev -c psi4
conda activate p4env

this will install the most recent stable version of Psi4.

Then, you can checkout the PSIXAS repository into the directory where all your Psi4 plugins are located:

cd /path/to/psi4Plugins
git clone https://github.com/Masterluke87/psixas
cd psixas
$(psi4 --plugin-compile)
make

If you do not want to build the master branch version, you can checkout another branch, for example:

git checkout PSIXAS-1.0

After the plugin is installed, one needs to export the path that contains the plugin:

export PYTHONPATH=/path/to/psi4Plugins

The installation is complete, and PSIXAS is ready to run!