README.md

CMake Integration

• CMake Integration
  • How to configure the spglib library
  • CMake Options
  • How to link spglib C library to your project
    • Linking against locally installed spglib
    • Downloading and using specific versions

How to configure the spglib library

The configuration is done by passing CMake options and environment variables at the configuration stage, i.e.:

$ cmake . -B build  ${CMAKE_OPTIONS}

Replace the variable CMAKE_OPTIONS with appropriate built-in CMake options, e.g. -DCMAKE_C_COMPILER=gcc, and spglib-specific options. For a list of useful options check CMake Options.

CMake Options

All spglib-specific options are prefixed with SPGLIB_ in order to avoid clashes and allow the project to be included via FetchContent. Keep in mind that in order to pass CMake options they have to be prefixed with -D, e.g. -DSPGLIB_WITH_Fortran=ON.

Option	Default	Description
SPGLIB_SHARED_LIBS	ON	Build spglib as a shared library. Turn off to build static.
SPGLIB_WITH_Fortran	OFF	Build Fortran API
SPGLIB_WITH_Python	OFF	Build Python API
SPGLIB_WITH_TESTS	ON	Include basic tests
SPGLIB_USE_OMP	OFF	Use OpenMP
SPGLIB_USE_SANITIZER	""	Specify a sanitizer to compile with e.g. address
CMAKE_INSTALL_PREFIX	OS specific (e.g. /usr/local)	Location where to install built project
BUILD_SHARED_LIBS	ON	Whether to build shared or statically linked libraries (Currently unsupported)

How to link spglib C library to your project

Linking against locally installed spglib

We currently support two ways of linking this project: using native cmake or via pkg-config. The native CMake package and namespace are Spglib. The CMake targets and pkg-config files exported are:

CMake target	pkg-config file	Description
Spglib::symspg	spglib	Main C library
Spglib::omp	---	Equivalent to Spglib::symspg Guaranteed OpenMP support
Spglib::fortran	spglib_f08	Fortran wrapper

An example CMakeLists.txt to link via native cmake:

project(foo)

find_package(Spglib REQUIRED)

add_library(foo_library)
target_link_libraries(foo_library PRIVATE Spglib::symspg)

Additionally, we provide convenient components and variables to control and check the spglib library:

Component	Imported target	CMake variable	Description
static	---	Spglib_LIB_TYPE	Link against statically built libraries
shared	---	Spglib_LIB_TYPE	Link against shared libraries
fortran	Spglib::fortran	Spglib_Fortran	Check and include Fortran target
omp	Spglib::omp	Spglib_OMP	Check and include OpenMP target

See example/CMakeLists.txt for a more complete example. Note that this library is built as a shared library, unless it is imported via FetchContent or equivalent approaches. This can be controlled via SPGLIB_SHARED_LIBS.

Downloading and using specific versions

Alternatively, you can download spglib automatically using FetchContent, and compile it with specific options in CMake Options, e.g.:

project(foo)

FetchContent_Declare(
	Spglib
	GIT_REPOSITORY https://github.com/spglib/spglib
	GIT_TAG main
)

set(SPGLIB_USE_OMP ON)

FetchContent_MakeAvailable(Spglib)

add_library(foo_library)
target_link_libraries(foo_library PRIVATE Spglib::symspg)