Installation

pyxmolpp2 is C++ extension and distributed as source files, so it might take a while to compile.

Install dependencies

pyxmolpp2 requires C++17 compiler, cmake and netcdf library to be installed on your system.

E.g. on modern ubuntu you can install requried packages via

sudo apt-get cmake g++ python3 python3-dev libnetcdf-dev

If C++11-compatible compiler is not default one set env variables prior installation, e.g.:

export CC=gcc-7.3.0 ; export CXX=g++-7.3.0 ;

Package can be installed from PYPI (~4 MB):

python -m pip install pyxmolpp2