sci-chemistry/spglib

A library for finding and handling crystal symmetries written in C.

Versions

Slot Version Repository Platforms
0 2.3.1 scientific ~amd64 arm? armv7? armv8? x86?

Metadata

Homepage (
    https://github.com/spglib/spglib
    https://spglib.github.io/spglib/
)
Summary A library for finding and handling crystal symmetries written in C
Description * Find symmetry operations * Identify space-group type * Wyckoff position assignment * Refine crystal structure * Find a primitive cell * Search irreducible k-points
Upstream changelog https://github.com/atztogo/spglib/blob/master/ChangeLog
Dependencies (
    (
        build:
        sys-devel/cmake[>=3.24.0]
    )
    (
        build+run:
        fortran? (
            sys-libs/libgfortran:=
        )
        openmp? (
            sys-libs/libgomp:=
        )
        test:
        dev-cpp/gtest
    )
)
Downloads https://github.com/spglib/spglib/archive/v2.3.1.tar.gz -> spglib-2.3.1.tar.gz
Licences BSD-3

Choices

OPTIONS

fortran Adds support for Fortran (formerly f77)
openmp Enable parallel processing using OpenMP