Installation

Prerequisites:

• python3 (an easy installation guide can be found at https://software.intel.com/content/www/us/en/develop/articles/how-to-install-the-python-version-of-intel-daal-in-linux.html)

• numpy

• scipy

• pandas

• geometric

• pyberny

• ifort

• mkl libraries

• cython

• pyscf (can be easily installed using pip)

• make

Installation steps

git clone https://github.com/achintya007/bagh.git

set f90comp in the Makefile to the fortran compiler being used

set MKLROOT according to the path of mkl libraries in the system being used

set linking_opt also according to your system

./make