Installation¶
Setup¶
In the most simple case, hiPhive can be simply installed via pip:
pip install hiphive
If you want to get the absolutely latest version you can clone the repo:
git clone git@gitlab.com:materials-modeling/hiphive.git
and then install hiPhive via:
cd hiphive
python3 setup.py install --user
in the root directory. This will set up hiPhive as a Python module for the current user. To ensure that the installation has succeeded it is recommended to run the tests:
python3 tests/main.py
Requirements¶
hiPhive requires Python3 and depends on the following libraries
ASE (structure handling)
Spglib (crystal symmetries)
scikit-learn (optimization)
NumPy (numerical linear algebra)
SymPy (symbolic computation)
Numba (computational efficiency)
To prepare reference data for the tutorial phonopy must be installed, which is also recommended for analysis of second-order force constants.