Installation

The PLIP software, in its latest version, is compatible with Python versions >= 3.8 . As for the operating system requirements, currently, we only support Linux distribution.

From source

To install the latest development version from source, clone the source code from github and install with pip in editable mode (-e flag):

git clone https://github.com/LAM-GROUP/PLIP.git
cd  plip
pip install -e .

The editable mode is currently required for correct compilation of C++ modules. If the package is not installed in editable mode, you would need to set up the PYTHONPATH environment variable to point to the location of the cloned package from Git. In the later versions, we plan to move to a complete pip set up for installation. To check successful installation:

plip_fit -h

LAMMPS for PLIP

1. First clone the custom LAMMPS repo:

   git clone https://github.com/LAM-GROUP/LammpsWithPLIP.git
   

2. Next install LAMMPS:

   cd LammpsWithPLIP/src
   make -j 8 mpi
   

3. To check successful installation:

   lmp_mpi -h
   

Ignore the warnings -Weffc++ and -Wunused-result during make.