Spglib
C library for finding and handling crystal symmetries
How to compile with cmake
% mkdir _build
% cd _build
% cmake ..
% make
% make install (probably installed under /usr/local)
Or to install under /some/where
% mkdir _build
% cd _build
% cmake -DCMAKE_INSTALL_PREFIX="" ..
% make
% make DESTDIR=/some/where install
A simple test is executed by
% make check
How to run test
Test is provided with the python interface.
% cd python
% pip install -e .
% pytest
Development
The development of spglib is managed on the develop
branch of github spglib repository.
- Github issues is the place to discuss about spglib issues.
- Github pull request is the place to request merging source code.
Documentation
Spglib user documetation is written using python sphinx. The source files are stored in doc
directory. Please see how to write the documentation at doc/README.md
.
Mailing list for questions
Usual spglib questions should be sent to spglib mailing list (https://sourceforge.net/p/spglib/mailman/).