C library for finding and handling crystal symmetries
How to compile the main C library
The minimum configuration, build and install instructions are as follows:
$ cmake . -B ./build $ cmake --build ./build $ cmake --install ./build
For more details on configuration options and how to link your project check the cmake documentation. A minimal example project using spglib is available at example.
How install the python library
Spglib is available on PyPi, so it can be installed as:
$ pip install spglib
This python library will default to the system installed Spglib library detected,
LD_LIBRARY_PATH on Linux or
DYLD_LIBRARY_PATH on MacOS, otherwise
defaulting to a bundled version.
For more details and how to build the python project from source, see the python documentation.
How to run test
The C library tests are incorporated in the CMake projects and enabled by default. To execute these tests, run the following command with the appropriate path to the build directory
$ ctest --test-dir ./build
Additionally, there are python tests that cover more use-cases. See the README in the python folder for more details
We welcome any contribution from the core development of the library to documentation improvements. See Contributing.md for more details.
See spglib.github.io/spglib/ for further documentation. See the doc documentation for more information on how to contribute to the documentation.