Installation

Pip installation

The easiest way to install flare++ is with pip. Just run the following command:

This will take a few minutes on a normal desktop computer or laptop.

If you’re installing on Harvard’s compute cluster, make sure to load the following modules first: .. code-block:: bash

module load cmake/3.17.3-fasrc01 python/3.6.3-fasrc01 gcc/9.3.0-fasrc01

Developer’s installation guide

After loading modules as above, we use cmake to compile the c++ code

Then copy the c-library file into the python code folder to make it importable through python

Finally, add the path of flare_pp to PYTHONPATH, such that you can import flare_pp in python.

An alternative way is setting sys.path.append(<flare_pp path>) in your python script.

LAMMPS Plugin

See lammps_plugins/README.md.