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The Very Accurate Multiresolution Python Routines (VAMPyR) package is a high level Python interface to the MRCPP code.

To build VAMPyR from source with OpenMP parallelization:

$ git clone https://github.com/MRChemSoft/vampyr.git
$ cd vampyr
$ ./setup
$ cd build
$ make

To use the Python module:

$ export PYTHONPATH=build/lib/python:$PYTHONPATH

To install VAMPyR in a Conda environment myenv:

$ conda create -n myenv
$ conda activate myenv
$ conda install -c conda-forge vampyr               # latest version (OpenMP)
$ conda install -c conda-forge vampyr=0.1.0rc0      # tagged version (OpenMP)

To list all available versions:

$ conda search -c conda-forge vampyr

Note that the conda-forge package is always built with OpenMP support enabled in the MRCPP backend.