Spglib

Spglib is a Julia wrapper of the C library spglib. It is used for finding and handling crystal symmetries. Thanks to Julia's binary artifact mechanism, the installation and usage of it should be smooth after Julia 1.3.

There was already a package LibSymspg.jl, but it is no longer actively maintained. And it does not support the latest versions of spglib. It also has some different design decisions with this package, including, but not limited to, naming conventions, input types, and return types of functions.

The code is hosted on GitHub, with some continuous integration services to test its validity.

Compatibility

• Julia version: v1.3.0 to v1.7.0
• Dependencies:
  • StaticArrays.jl v0.8.3 and above
  • StructHelpers.jl v0.1.0 and above
  • UnPack.jl v1.0.0 and above
  • spglib_jll.jl v1.14.1+0 and above
• OS: macOS, Linux, Windows, and FreeBSD
• Architecture: x86, x64, ARM

Installation

To install Spglib, please open Julia's interactive session (known as REPL) and press ] key in the REPL to use the package mode, then type the following command

For stable release

(@v1.6) pkg> add Spglib

For current master

(@v1.6) pkg> add Spglib#master