This is the spglib module.

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Python bindings for C library for finding and handling crystal symmetries

Installation

The package is developed on github. You can get the source for the released versions from the repository.

Using package distribution service

The easiest way to install python-spglib is to use the pypi package, for which numpy is required to be installed before the installation. A command to install spglib is:

pip install spglib

Conda is another choice:

conda install -c atztogo spglib

These packages are made by Paweł T. Jochym.

Building using setup.py

To manually install python-spglib using setup.py, python header files (python-dev), C-compiler (e.g., gcc, clang), and numpy are required before the build. The installation steps are shown as follows:

  1. Go to the python directory

  2. Type the command:

    python setup.py install --user

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