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:
sympy
pip install sympy>=1.6
Reference: https://www.sympy.org/en/index.html
deap
pip install deap
Reference: https://github.com/DEAP/deap
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
pymatgen(options)
conda install --channel conda-forge pymatgen
Reference: https://github.com/materialsproject/pymatgen
scikit-learn
conda install sklearn
Reference: https://github.com/materialsproject/pymatgen
mgetool:
pip install mgetool
Reference: https://github.com/Mgedata/mgetool
BGP:
pip install BindingGP