Install

Requirements

Packages:

Dependence

Name

Version

necessary

sympy

>=1.6

necessary

deap

>=1.3.1

necessary

scikit-learn

>=0.22.1

recommend

torch

>=1.5.0

recommend

pymatgen

recommend

scikit-image

recommend

minepy

Method 1

Install with pip

pip install BindingGP
note

If VC++ needed for windows wheel, such as spblib , Please download the dependent packages named (spglib‑1.*‑cp3*‑*.whl) from Python Extension Packages and install offline. please reference to Method 2.

Method 2

Install by step:

  1. sympy

    pip install sympy>=1.6
    

Reference: https://www.sympy.org/en/index.html

  1. deap

    pip install deap
    

Reference: https://github.com/DEAP/deap

  1. pymatgen

    conda install /your/local/path/spglib‑1.*‑cp3*‑*.whl
    pip install pymatgen
    

Reference: https://github.com/materialsproject/pymatgen, https://github.com/spglib/spglib/tree/develop/python

  1. pymatgen(options)

    conda install --channel conda-forge pymatgen
    

Reference: https://github.com/materialsproject/pymatgen

  1. scikit-learn

    conda install sklearn
    

Reference: https://github.com/materialsproject/pymatgen

  1. mgetool:

    pip install mgetool
    

Reference: https://github.com/Mgedata/mgetool

  1. BGP:

    pip install BindingGP