libcasm-mapping 2.0a1__tar.gz

libcasm-mapping-2.0a1/CHANGELOG.md

@@ -0,0 +1,34 @@
+# Changelog
+
+All notable changes to `libcasm-mapping` will be documented in this file.
+
+The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.1.0/),
+and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
+
+## [v2.0a1] - 2023-08-17
+
+This release separates out mapping methods from CASM crystallography v1, adds data structures for holding results, adds additional methods for working with mapping results, and provides an alternative mapping search implementation that can be used to construct custom searches. It creates a Python package, libcasm.mapping, that enables using the mapping methods and may be installed via pip install, using scikit-build, CMake, and pybind11. This release also includes usage examples and API documentation for using libcasm.mapping, built using Sphinx.
+
+### Added
+
+- Added the casm/mapping C++ module with new data structures and methods in namespace CASM::mapping, and with CASM v1 mapping code under namespace CASM::mapping::impl
+- Added mapping::LatticeMapping, mapping::AtomMapping, and mapping::StructureMapping data structures for holding individual mapping results
+- Added mapping::ScoredLatticeMapping, mapping::ScoredAtomMapping, and mapping::ScoredStructureMapping data structures for holding mapping results along with mapping costs
+- Added mapping::LatticeMappingResults, mapping::AtomMappingResults, and mapping::StructureMappingResults data structures for holding multiple mapping results along with mapping costs
+- Added mapping::interpolated_mapping for constructing structures that are interpolated between two structures along a particular mapping path
+- Added mapping::make_mapping_to_equivalent_structure to generate symmetrically equivalent mappings
+- Added mapping::make_mapping_to_equivalent_superlattice to generate mappings to a different, but symmetrically equivalent superlattice of the prim
+- Added mapping::make_mapped_structure for applying a mapping::StructureMapping result to an unmapped structure to construct the mapped structure aligned to the parent crystal structure, with implied vacancies, strain, and atomic displacement; This can be used be copied to configuration degree of freedom (DoF) values and calculated properties.
+- Added mapping::MappingSearch class and related data structures and methods to perform the mapping search method
+- Added Python package libcasm.mapping.info for mapping data structures
+- Added Python package libcasm.mapping.methods for the existing lattice, atom, and structure mapping methods
+- Added Python package libcasm.mapping.mapsearch for the customizeable mapping search data structures and methods
+- Added GitHub Actions for unit testing
+- Added GitHub Action build_wheels.yml for Python wheel building using cibuildwheel
+- Added Python documentation
+
+
+### Removed
+
+- Removed autotools build process
+- Removed boost dependencies

libcasm-mapping-2.0a1/CMakeLists.txt

@@ -0,0 +1,277 @@
+cmake_minimum_required(VERSION 3.20)
+set(CMAKE_OSX_DEPLOYMENT_TARGET "10.15" CACHE STRING "Minimum OS X deployment version")
+
+project(CASMcode_mapping VERSION 2.0.0 LANGUAGES CXX)
+
+# set CMAKE_INSTALL_X variables
+include(GNUInstallDirs)
+
+# specify the C++ standard
+set(CMAKE_CXX_STANDARD 17)
+set(CMAKE_CXX_STANDARD_REQUIRED True)
+
+# try to use ccache
+find_program(CCACHE_PROGRAM ccache)
+if(CCACHE_PROGRAM)
+    set(CMAKE_CXX_COMPILER_LAUNCHER "${CCACHE_PROGRAM}")
+endif()
+
+##############################################
+## Find dependencies
+
+# Should find ZLIB::ZLIB
+find_package(ZLIB)
+
+# Find CASM
+if(NOT DEFINED CASM_PREFIX)
+  message(STATUS "CASM_PREFIX not defined")
+  # try to find Python
+  find_package (Python COMPONENTS Interpreter Development)
+  if(DEFINED Python_EXECUTABLE)
+    # if Python found, obtain CASM_PREFIX from the libcasm.casmglobal
+    message(STATUS "found Python_EXECUTABLE: ${Python_EXECUTABLE}")
+    message(STATUS "checking for libcasm-global")
+    execute_process(
+      COMMAND pip show libcasm-global
+      RESULT_VARIABLE EXIT_CODE
+      OUTPUT_QUIET
+    )
+    if (${EXIT_CODE} EQUAL 0)
+      message(STATUS "found libcasm-global")
+      execute_process(COMMAND ${Python_EXECUTABLE} -m libcasm.casmglobal --prefix
+                      OUTPUT_VARIABLE CASM_PREFIX_RAW)
+      string(STRIP ${CASM_PREFIX_RAW} CASM_PREFIX)
+      message(STATUS "CASM_PREFIX: ${CASM_PREFIX}")
+    else()
+      message(STATUS "did not find libcasm-global")
+    endif()
+  endif()
+endif()
+if(DEFINED CASM_PREFIX)
+  set(CASMcode_global_ROOT ${CASM_PREFIX}/share/CASMcode_global/cmake)
+  set(CASMcode_crystallography_ROOT ${CASM_PREFIX}/share/CASMcode_crystallography/cmake)
+endif()
+
+find_package(CASMcode_global)
+if(NOT CASMcode_global_FOUND)
+  message(FATAL_ERROR "CMake failed to find CASMcode_global")
+endif()
+# if successful, we have CASM::casm_global
+
+find_package(CASMcode_crystallography)
+if(NOT CASMcode_crystallography_FOUND)
+  message(FATAL_ERROR "CMake failed to find CASMcode_crystallography")
+endif()
+# if successful, we have CASM::casm_crystallography
+
+# if no user CMAKE_INSTALL_PREFIX, use CASM_PREFIX if it exists
+IF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
+  if(DEFINED CASM_PREFIX)
+    message(STATUS "CMAKE_INSTALL_PREFIX initialized to default, so updating CMAKE_INSTALL_PREFIX to CASM_PREFIX")
+    set(CMAKE_INSTALL_PREFIX ${CASM_PREFIX} CACHE PATH "set CMAKE_INSTALL_PREFIX to CASM_PREFIX" FORCE)
+    message(STATUS "CMAKE_INSTALL_PREFIX: ${CMAKE_INSTALL_PREFIX}")
+  endif()
+ENDIF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
+
+##############################################
+## Build libcasm_mapping
+
+# create libcasm_mapping
+set(
+  libcasm_mapping_HEADERS
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/murty.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/map_lattices.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/map_atoms.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/atom_cost.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/MappingSearch.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/hungarian.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/AtomMapping.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/version.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/misc.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/LatticeMapping.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/map_structures.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/lattice_cost.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/StructureMapping.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/SearchData.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/impl/StrucMapCalculatorInterface.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/impl/SimpleStrucMapCalculator.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/impl/LatticeMap.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/impl/StrucMapping.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/impl/io/json/StrucMapping_json_io.hh
+  ${PROJECT_SOURCE_DIR}/include/casm/mapping/io/json_io.hh
+)
+set(
+  libcasm_mapping_SOURCES
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/MappingSearch.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/atom_cost.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/map_atoms.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/map_lattices.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/murty.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/SearchData.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/lattice_cost.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/StructureMapping.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/LatticeMapping.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/map_structures.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/AtomMapping.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/hungarian.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/version.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/impl/LatticeMap.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/impl/SimpleStrucMapCalculator.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/impl/StrucMapping.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/impl/io/json/StrucMapping_json_io.cc
+  ${PROJECT_SOURCE_DIR}/src/casm/mapping/io/json_io.cc
+)
+add_library(casm_mapping SHARED ${libcasm_mapping_SOURCES})
+target_include_directories(casm_mapping
+  PUBLIC
+    $<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}>
+    $<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}/casm/external>
+    $<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}/casm/external/gzstream>
+    $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>
+    $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include/casm/external>
+    $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include/casm/external/gzstream>
+)
+target_compile_options(casm_mapping
+  PUBLIC
+    "-DCASM_MAPPING_TXT_VERSION=\"${CMAKE_PROJECT_VERSION}\""
+    -DEIGEN_DEFAULT_DENSE_INDEX_TYPE=long
+    -DGZSTREAM_NAMESPACE=gz
+)
+target_link_libraries(casm_mapping
+  ZLIB::ZLIB
+  ${CMAKE_DL_LIBS}
+  CASM::casm_global
+  CASM::casm_crystallography
+)
+if(APPLE)
+  set_target_properties(
+    casm_mapping PROPERTIES INSTALL_RPATH "@loader_path")
+else()
+  set_target_properties(
+    casm_mapping PROPERTIES INSTALL_RPATH "$ORIGIN")
+endif()
+
+
+##############################################
+## Install libcasm_mapping
+
+# install header files in <prefix>/libcasm/include/,
+# while preserving directory structure
+foreach ( filevar ${libcasm_mapping_HEADERS} )
+  file(RELATIVE_PATH relfile ${PROJECT_SOURCE_DIR}/include/ ${filevar})
+  get_filename_component( reldir ${relfile} DIRECTORY )
+  install( FILES ${filevar} DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/${reldir} )
+endforeach()
+
+# install libcasm_mapping in <prefix>/libcasm/lib/
+install(
+  TARGETS casm_mapping
+  EXPORT CASMcode_mappingTargets
+  DESTINATION lib)
+
+##############################################
+## Python extensions
+
+# The CMake package config and target files are installed under the Python
+# package root. This is necessary to ensure that all the relative paths in the
+# helloTargets.cmake resolve correctly. It also provides encapsulation.
+#
+# The actual path used must be selected so that consuming projects can locate it
+# via `find_package`. To support finding CMake packages in the Python package
+# prefix, using `find_package`s default search path of
+# `<prefix>/<name>/share/<name>*/cmake/` is reasonable. Adding the Python
+# package installation prefix to CMAKE_PREFIX_PATH in combination with this path
+# will allow `find_package` to find this package and any other package installed
+# via a Python package if the CMake and Python packages are named the same.
+set(CASM_CRYSTALLOGRAPHY_CMAKE_PACKAGE_INSTALL_SUBDIR "share/CASMcode_mapping/cmake")
+
+install(
+  EXPORT CASMcode_mappingTargets
+  NAMESPACE CASM::
+  DESTINATION ${CASM_CRYSTALLOGRAPHY_CMAKE_PACKAGE_INSTALL_SUBDIR})
+
+include(CMakePackageConfigHelpers)
+
+write_basic_package_version_file(
+  CASMcode_mappingConfigVersion.cmake
+  VERSION ${PROJECT_VERSION}
+  COMPATIBILITY SameMinorVersion)
+
+configure_package_config_file(
+  "${PROJECT_SOURCE_DIR}/cmake/CASMcode_mappingConfig.cmake.in" CASMcode_mappingConfig.cmake
+  INSTALL_DESTINATION ${CASM_CRYSTALLOGRAPHY_CMAKE_PACKAGE_INSTALL_SUBDIR})
+
+install(FILES "${PROJECT_BINARY_DIR}/CASMcode_mappingConfig.cmake"
+              "${PROJECT_BINARY_DIR}/CASMcode_mappingConfigVersion.cmake"
+        DESTINATION ${CASM_CRYSTALLOGRAPHY_CMAKE_PACKAGE_INSTALL_SUBDIR})
+
+# We are using the SKBUILD variable, which is defined when scikit-build is
+# running the CMake build, to control building the Python wrapper. This allows
+# the C++ project to be installed, standalone, when using the standard CMake
+# build flow.
+if(DEFINED SKBUILD)
+
+  # call pybind11-config to obtain the root of the cmake package
+  execute_process(COMMAND ${PYTHON_EXECUTABLE} -m pybind11 --cmakedir
+                  OUTPUT_VARIABLE pybind11_ROOT_RAW)
+  string(STRIP ${pybind11_ROOT_RAW} pybind11_ROOT)
+  find_package(pybind11)
+
+  # The extension modules must load:
+  # - the casm_global library
+  # - the casm_crystallography library
+  # - the casm_mapping library
+  # They can be found by setting a relative rpath
+
+  ### libcasm.mapping.info._mapping_info ###
+  pybind11_add_module(_mapping_info MODULE
+                      "${PROJECT_SOURCE_DIR}/python/src/mapping_info.cpp")
+  target_link_libraries(_mapping_info PRIVATE
+    CASM::casm_global
+    CASM::casm_crystallography
+    casm_mapping
+  )
+  install(TARGETS _mapping_info DESTINATION mapping/info)
+  if(APPLE)
+    set_target_properties(
+      _mapping_info PROPERTIES INSTALL_RPATH "@loader_path/../../lib")
+  else()
+    set_target_properties(
+      _mapping_info PROPERTIES INSTALL_RPATH "$ORIGIN/../../lib")
+  endif()
+
+  ### libcasm.mapping.mapsearch._mapping_mapsearch ###
+  pybind11_add_module(_mapping_mapsearch MODULE
+                      "${PROJECT_SOURCE_DIR}/python/src/mapping_mapsearch.cpp")
+  target_link_libraries(_mapping_mapsearch PRIVATE
+    CASM::casm_global
+    CASM::casm_crystallography
+    casm_mapping
+  )
+  install(TARGETS _mapping_mapsearch DESTINATION mapping/mapsearch)
+  if(APPLE)
+    set_target_properties(
+      _mapping_mapsearch PROPERTIES INSTALL_RPATH "@loader_path/../../lib")
+  else()
+    set_target_properties(
+      _mapping_mapsearch PROPERTIES INSTALL_RPATH "$ORIGIN/../../lib")
+  endif()
+
+  ### libcasm.mapping.methods._mapping_methods ###
+  pybind11_add_module(_mapping_methods MODULE
+                      "${PROJECT_SOURCE_DIR}/python/src/mapping_methods.cpp")
+  target_link_libraries(_mapping_methods PRIVATE
+    CASM::casm_global
+    CASM::casm_crystallography
+    casm_mapping
+  )
+  install(TARGETS _mapping_methods DESTINATION mapping/methods)
+  if(APPLE)
+    set_target_properties(
+      _mapping_methods PROPERTIES INSTALL_RPATH "@loader_path/../../lib")
+  else()
+    set_target_properties(
+      _mapping_methods PROPERTIES INSTALL_RPATH "$ORIGIN/../../lib")
+  endif()
+
+endif()

libcasm-mapping-2.0a1/CMakeLists.txt.in

@@ -0,0 +1,239 @@
+cmake_minimum_required(VERSION 3.20)
+set(CMAKE_OSX_DEPLOYMENT_TARGET "10.15" CACHE STRING "Minimum OS X deployment version")
+
+project(CASMcode_mapping VERSION 2.0.0 LANGUAGES CXX)
+
+# set CMAKE_INSTALL_X variables
+include(GNUInstallDirs)
+
+# specify the C++ standard
+set(CMAKE_CXX_STANDARD 17)
+set(CMAKE_CXX_STANDARD_REQUIRED True)
+
+# try to use ccache
+find_program(CCACHE_PROGRAM ccache)
+if(CCACHE_PROGRAM)
+    set(CMAKE_CXX_COMPILER_LAUNCHER "${CCACHE_PROGRAM}")
+endif()
+
+##############################################
+## Find dependencies
+
+# Should find ZLIB::ZLIB
+find_package(ZLIB)
+
+# Find CASM
+if(NOT DEFINED CASM_PREFIX)
+  message(STATUS "CASM_PREFIX not defined")
+  # try to find Python
+  find_package (Python COMPONENTS Interpreter Development)
+  if(DEFINED Python_EXECUTABLE)
+    # if Python found, obtain CASM_PREFIX from the libcasm.casmglobal
+    message(STATUS "found Python_EXECUTABLE: ${Python_EXECUTABLE}")
+    message(STATUS "checking for libcasm-global")
+    execute_process(
+      COMMAND pip show libcasm-global
+      RESULT_VARIABLE EXIT_CODE
+      OUTPUT_QUIET
+    )
+    if (${EXIT_CODE} EQUAL 0)
+      message(STATUS "found libcasm-global")
+      execute_process(COMMAND ${Python_EXECUTABLE} -m libcasm.casmglobal --prefix
+                      OUTPUT_VARIABLE CASM_PREFIX_RAW)
+      string(STRIP ${CASM_PREFIX_RAW} CASM_PREFIX)
+      message(STATUS "CASM_PREFIX: ${CASM_PREFIX}")
+    else()
+      message(STATUS "did not find libcasm-global")
+    endif()
+  endif()
+endif()
+if(DEFINED CASM_PREFIX)
+  set(CASMcode_global_ROOT ${CASM_PREFIX}/share/CASMcode_global/cmake)
+  set(CASMcode_crystallography_ROOT ${CASM_PREFIX}/share/CASMcode_crystallography/cmake)
+endif()
+
+find_package(CASMcode_global)
+if(NOT CASMcode_global_FOUND)
+  message(FATAL_ERROR "CMake failed to find CASMcode_global")
+endif()
+# if successful, we have CASM::casm_global
+
+find_package(CASMcode_crystallography)
+if(NOT CASMcode_crystallography_FOUND)
+  message(FATAL_ERROR "CMake failed to find CASMcode_crystallography")
+endif()
+# if successful, we have CASM::casm_crystallography
+
+# if no user CMAKE_INSTALL_PREFIX, use CASM_PREFIX if it exists
+IF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
+  if(DEFINED CASM_PREFIX)
+    message(STATUS "CMAKE_INSTALL_PREFIX initialized to default, so updating CMAKE_INSTALL_PREFIX to CASM_PREFIX")
+    set(CMAKE_INSTALL_PREFIX ${CASM_PREFIX} CACHE PATH "set CMAKE_INSTALL_PREFIX to CASM_PREFIX" FORCE)
+    message(STATUS "CMAKE_INSTALL_PREFIX: ${CMAKE_INSTALL_PREFIX}")
+  endif()
+ENDIF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
+
+##############################################
+## Build libcasm_mapping
+
+# create libcasm_mapping
+set(
+  libcasm_mapping_HEADERS
+@header_files@)
+set(
+  libcasm_mapping_SOURCES
+@source_files@)
+add_library(casm_mapping SHARED ${libcasm_mapping_SOURCES})
+target_include_directories(casm_mapping
+  PUBLIC
+    $<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}>
+    $<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}/casm/external>
+    $<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}/casm/external/gzstream>
+    $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>
+    $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include/casm/external>
+    $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include/casm/external/gzstream>
+)
+target_compile_options(casm_mapping
+  PUBLIC
+    "-DCASM_MAPPING_TXT_VERSION=\"${CMAKE_PROJECT_VERSION}\""
+    -DEIGEN_DEFAULT_DENSE_INDEX_TYPE=long
+    -DGZSTREAM_NAMESPACE=gz
+)
+target_link_libraries(casm_mapping
+  ZLIB::ZLIB
+  ${CMAKE_DL_LIBS}
+  CASM::casm_global
+  CASM::casm_crystallography
+)
+if(APPLE)
+  set_target_properties(
+    casm_mapping PROPERTIES INSTALL_RPATH "@loader_path")
+else()
+  set_target_properties(
+    casm_mapping PROPERTIES INSTALL_RPATH "$ORIGIN")
+endif()
+
+
+##############################################
+## Install libcasm_mapping
+
+# install header files in <prefix>/libcasm/include/,
+# while preserving directory structure
+foreach ( filevar ${libcasm_mapping_HEADERS} )
+  file(RELATIVE_PATH relfile ${PROJECT_SOURCE_DIR}/include/ ${filevar})
+  get_filename_component( reldir ${relfile} DIRECTORY )
+  install( FILES ${filevar} DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/${reldir} )
+endforeach()
+
+# install libcasm_mapping in <prefix>/libcasm/lib/
+install(
+  TARGETS casm_mapping
+  EXPORT CASMcode_mappingTargets
+  DESTINATION lib)
+
+##############################################
+## Python extensions
+
+# The CMake package config and target files are installed under the Python
+# package root. This is necessary to ensure that all the relative paths in the
+# helloTargets.cmake resolve correctly. It also provides encapsulation.
+#
+# The actual path used must be selected so that consuming projects can locate it
+# via `find_package`. To support finding CMake packages in the Python package
+# prefix, using `find_package`s default search path of
+# `<prefix>/<name>/share/<name>*/cmake/` is reasonable. Adding the Python
+# package installation prefix to CMAKE_PREFIX_PATH in combination with this path
+# will allow `find_package` to find this package and any other package installed
+# via a Python package if the CMake and Python packages are named the same.
+set(CASM_CRYSTALLOGRAPHY_CMAKE_PACKAGE_INSTALL_SUBDIR "share/CASMcode_mapping/cmake")
+
+install(
+  EXPORT CASMcode_mappingTargets
+  NAMESPACE CASM::
+  DESTINATION ${CASM_CRYSTALLOGRAPHY_CMAKE_PACKAGE_INSTALL_SUBDIR})
+
+include(CMakePackageConfigHelpers)
+
+write_basic_package_version_file(
+  CASMcode_mappingConfigVersion.cmake
+  VERSION ${PROJECT_VERSION}
+  COMPATIBILITY SameMinorVersion)
+
+configure_package_config_file(
+  "${PROJECT_SOURCE_DIR}/cmake/CASMcode_mappingConfig.cmake.in" CASMcode_mappingConfig.cmake
+  INSTALL_DESTINATION ${CASM_CRYSTALLOGRAPHY_CMAKE_PACKAGE_INSTALL_SUBDIR})
+
+install(FILES "${PROJECT_BINARY_DIR}/CASMcode_mappingConfig.cmake"
+              "${PROJECT_BINARY_DIR}/CASMcode_mappingConfigVersion.cmake"
+        DESTINATION ${CASM_CRYSTALLOGRAPHY_CMAKE_PACKAGE_INSTALL_SUBDIR})
+
+# We are using the SKBUILD variable, which is defined when scikit-build is
+# running the CMake build, to control building the Python wrapper. This allows
+# the C++ project to be installed, standalone, when using the standard CMake
+# build flow.
+if(DEFINED SKBUILD)
+
+  # call pybind11-config to obtain the root of the cmake package
+  execute_process(COMMAND ${PYTHON_EXECUTABLE} -m pybind11 --cmakedir
+                  OUTPUT_VARIABLE pybind11_ROOT_RAW)
+  string(STRIP ${pybind11_ROOT_RAW} pybind11_ROOT)
+  find_package(pybind11)
+
+  # The extension modules must load:
+  # - the casm_global library
+  # - the casm_crystallography library
+  # - the casm_mapping library
+  # They can be found by setting a relative rpath
+
+  ### libcasm.mapping.info._mapping_info ###
+  pybind11_add_module(_mapping_info MODULE
+                      "${PROJECT_SOURCE_DIR}/python/src/mapping_info.cpp")
+  target_link_libraries(_mapping_info PRIVATE
+    CASM::casm_global
+    CASM::casm_crystallography
+    casm_mapping
+  )
+  install(TARGETS _mapping_info DESTINATION mapping/info)
+  if(APPLE)
+    set_target_properties(
+      _mapping_info PROPERTIES INSTALL_RPATH "@loader_path/../../lib")
+  else()
+    set_target_properties(
+      _mapping_info PROPERTIES INSTALL_RPATH "$ORIGIN/../../lib")
+  endif()
+
+  ### libcasm.mapping.mapsearch._mapping_mapsearch ###
+  pybind11_add_module(_mapping_mapsearch MODULE
+                      "${PROJECT_SOURCE_DIR}/python/src/mapping_mapsearch.cpp")
+  target_link_libraries(_mapping_mapsearch PRIVATE
+    CASM::casm_global
+    CASM::casm_crystallography
+    casm_mapping
+  )
+  install(TARGETS _mapping_mapsearch DESTINATION mapping/mapsearch)
+  if(APPLE)
+    set_target_properties(
+      _mapping_mapsearch PROPERTIES INSTALL_RPATH "@loader_path/../../lib")
+  else()
+    set_target_properties(
+      _mapping_mapsearch PROPERTIES INSTALL_RPATH "$ORIGIN/../../lib")
+  endif()
+
+  ### libcasm.mapping.methods._mapping_methods ###
+  pybind11_add_module(_mapping_methods MODULE
+                      "${PROJECT_SOURCE_DIR}/python/src/mapping_methods.cpp")
+  target_link_libraries(_mapping_methods PRIVATE
+    CASM::casm_global
+    CASM::casm_crystallography
+    casm_mapping
+  )
+  install(TARGETS _mapping_methods DESTINATION mapping/methods)
+  if(APPLE)
+    set_target_properties(
+      _mapping_methods PROPERTIES INSTALL_RPATH "@loader_path/../../lib")
+  else()
+    set_target_properties(
+      _mapping_methods PROPERTIES INSTALL_RPATH "$ORIGIN/../../lib")
+  endif()
+
+endif()