Prerequisites¶

Set up conda on your system first. We recommend using mamba, e.g. through micromamba.

It is generally considered good practice to set up a new conda environment to keep your installation isolated:

conda create -n runner-installation
conda activate runner-installation

Our packages pull in dependencies from conda-forge, anaconda.org, and the Intel conda channel. These three conda channels must be configured on your system:

conda config --add channels conda-forge
conda config --add channels anaconda
conda config --add channels https://software.repos.intel.com/python/conda

Available Packages¶

Two build variants are available:

GNU build (recommended for most users)¶

Open-source build using gfortran and OpenBLAS. Provides both a serial executable RuNNer.x and a MPI-parallel executable RuNNer_mpi.x.

conda install -c conda-forge -c anaconda -c https://runner.theochem2.rub.de/conda_channel runner2-gnu

Intel build (for enhanced performance)¶

Proprietary build based on the Intel oneAPI 2025. Offers noticeable (though not dramatic) performance improvements over the GNU build. Provides only the serial executable RuNNer.x.

conda install -c conda-forge -c anaconda -c https://runner.theochem2.rub.de/conda_channel runner2-intel