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CMakeLists.txt
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# SPDX-License-Identifier: BSD-2-Clause
# Copyright (c) 2021 NKI/AVL, Netherlands Cancer Institute
# Redistribution and use in source and binary forms, with or without
# modification, are permitted provided that the following conditions are met:
# 1. Redistributions of source code must retain the above copyright notice, this
# list of conditions and the following disclaimer
# 2. Redistributions in binary form must reproduce the above copyright notice,
# this list of conditions and the following disclaimer in the documentation
# and/or other materials provided with the distribution.
# THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
# ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
# WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
# DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
# ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
# (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
# LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
# ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
# (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
# SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
cmake_minimum_required(VERSION 3.16)
# set the project name
project(libcifpp VERSION 5.2.2 LANGUAGES CXX)
list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")
include(GNUInstallDirs)
include(CheckFunctionExists)
include(CheckIncludeFiles)
include(CheckLibraryExists)
include(CMakePackageConfigHelpers)
include(CheckCXXSourceCompiles)
include(GenerateExportHeader)
include(CTest)
include(CMakeDependentOption)
set(CXX_EXTENSIONS OFF)
set(CMAKE_CXX_STANDARD 20)
set(CMAKE_CXX_STANDARD_REQUIRED ON)
# set(CMAKE_CXX_VISIBILITY_PRESET hidden)
# set(CMAKE_VISIBILITY_INLINES_HIDDEN 1)
if("${CMAKE_CXX_COMPILER_ID}" STREQUAL "GNU")
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers")
elseif(MSVC)
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} /W4")
endif()
# Build documentation?
option(BUILD_DOCUMENTATION "Build the documentation" OFF)
# We do not want to write an export file for all our symbols...
set(CMAKE_WINDOWS_EXPORT_ALL_SYMBOLS ON)
# Optionally build a version to be installed inside CCP4
option(BUILD_FOR_CCP4 "Build a version to be installed in CCP4" OFF)
# Building shared libraries?
if(CMAKE_VERSION VERSION_GREATER_EQUAL 3.22)
cmake_policy(SET CMP0127 NEW)
cmake_dependent_option(BUILD_SHARED_LIBS "Build a shared library instead of a static one" OFF "NOT (BUILD_FOR_CCP4 AND WIN32)" ON)
else()
option(BUILD_SHARED_LIBS "Build a shared library instead of a static one" OFF)
endif()
# Lots of code depend on the availability of the components.cif file
option(CIFPP_DOWNLOAD_CCD "Download the CCD file components.cif during installation" ON)
# An optional cron script can be installed to keep the data files up-to-date
if(UNIX)
option(CIFPP_INSTALL_UPDATE_SCRIPT "Install the script to update CCD and dictionary files" ON)
endif()
# When CCP4 is sourced in the environment, we can recreate the symmetry operations table
if(EXISTS "$ENV{CCP4}")
if(EXISTS "$ENV{CLIBD}/syminfo.lib")
option(CIFPP_RECREATE_SYMOP_DATA "Recreate SymOp data table in case it is out of date" ON)
else()
set(CIFPP_RECREATE_SYMOP_DATA OFF)
message(WARNING "Symop data table recreation requested, but file syminfo.lib was not found in $ENV{CLIBD}")
endif()
else()
set(CIFPP_RECREATE_SYMOP_DATA OFF)
message("Not trying to recreate symop_table_data.hpp since CCP4 is not defined")
endif()
# Unit tests
if(BUILD_FOR_CCP4)
if("$ENV{CCP4}" STREQUAL "" OR NOT EXISTS $ENV{CCP4})
message(FATAL_ERROR "A CCP4 built was requested but CCP4 was not sourced")
else()
list(APPEND CMAKE_MODULE_PATH "$ENV{CCP4}")
list(APPEND CMAKE_PREFIX_PATH "$ENV{CCP4}")
set(CMAKE_INSTALL_PREFIX "$ENV{CCP4}")
set(CMAKE_INSTALL_FULL_DATADIR "${CMAKE_INSTALL_PREFIX}/share/libcifpp")
if(WIN32)
set(BUILD_SHARED_LIBS ON)
endif()
endif()
endif()
if(WIN32)
if(${CMAKE_SYSTEM_VERSION} GREATER_EQUAL 10) # Windows 10
add_definitions(-D _WIN32_WINNT=0x0A00)
elseif(${CMAKE_SYSTEM_VERSION} EQUAL 6.3) # Windows 8.1
add_definitions(-D _WIN32_WINNT=0x0603)
elseif(${CMAKE_SYSTEM_VERSION} EQUAL 6.2) # Windows 8
add_definitions(-D _WIN32_WINNT=0x0602)
elseif(${CMAKE_SYSTEM_VERSION} EQUAL 6.1) # Windows 7
add_definitions(-D _WIN32_WINNT=0x0601)
elseif(${CMAKE_SYSTEM_VERSION} EQUAL 6.0) # Windows Vista
add_definitions(-D _WIN32_WINNT=0x0600)
else() # Windows XP (5.1)
add_definitions(-D _WIN32_WINNT=0x0501)
endif()
add_definitions(-DNOMINMAX)
endif()
if(MSVC)
# make msvc standards compliant...
add_compile_options(/permissive-)
if(BUILD_SHARED_LIBS)
set(CMAKE_MSVC_RUNTIME_LIBRARY "MultiThreaded$<$<CONFIG:Debug>:Debug>DLL")
else()
set(CMAKE_MSVC_RUNTIME_LIBRARY "MultiThreaded$<$<CONFIG:Debug>:Debug>")
endif()
endif()
# Libraries
# Start by finding out if std:regex is usable. Note that the current
# implementation in GCC is not acceptable, it crashes on long lines.
# The implementation in libc++ (clang) and MSVC seem to be OK.
check_cxx_source_compiles("
#include <iostream>
#ifndef __GLIBCXX__
#error
#endif
int main(int argc, char *argv[]) { return 0; }" GXX_LIBSTDCPP)
if(GXX_LIBSTDCPP)
message(STATUS "Testing for known regex bug, since you're using GNU libstdc++")
try_run(STD_REGEX_RUNNING STD_REGEX_COMPILING
${CMAKE_CURRENT_BINARY_DIR}/test ${PROJECT_SOURCE_DIR}/cmake/test-rx.cpp)
if(STD_REGEX_RUNNING STREQUAL FAILED_TO_RUN)
message(STATUS "You are probably trying to compile using the g++ standard library which contains a crashing std::regex implementation. Will use boost::regex instead")
add_subdirectory(regex EXCLUDE_FROM_ALL)
set(BOOST_REGEX ON)
endif()
endif()
set(CMAKE_THREAD_PREFER_PTHREAD)
set(THREADS_PREFER_PTHREAD_FLAG)
find_package(Threads)
if(MSVC)
# Avoid linking the shared library of zlib
# Search ZLIB_ROOT first if it is set.
if(ZLIB_ROOT)
set(_ZLIB_SEARCH_ROOT PATHS ${ZLIB_ROOT} NO_DEFAULT_PATH)
list(APPEND _ZLIB_SEARCHES _ZLIB_SEARCH_ROOT)
endif()
# Normal search.
set(_ZLIB_x86 "(x86)")
set(_ZLIB_SEARCH_NORMAL
PATHS "[HKEY_LOCAL_MACHINE\\SOFTWARE\\GnuWin32\\Zlib;InstallPath]"
"$ENV{ProgramFiles}/zlib"
"$ENV{ProgramFiles${_ZLIB_x86}}/zlib")
unset(_ZLIB_x86)
list(APPEND _ZLIB_SEARCHES _ZLIB_SEARCH_NORMAL)
foreach(search ${_ZLIB_SEARCHES})
find_library(ZLIB_LIBRARY NAMES zlibstatic NAMES_PER_DIR ${${search}} PATH_SUFFIXES lib)
endforeach()
endif()
find_package(ZLIB REQUIRED)
find_package(Eigen3 REQUIRED)
include(FindFilesystem)
list(APPEND CIFPP_REQUIRED_LIBRARIES ${STDCPPFS_LIBRARY})
include(FindAtomic)
list(APPEND CIFPP_REQUIRED_LIBRARIES ${STDCPPATOMIC_LIBRARY})
if(MSVC)
# this dependency can go once MSVC supports std::experimental::is_detected
find_package(zeep 5.1.8 REQUIRED)
list(APPEND CIFPP_REQUIRED_LIBRARIES zeep::zeep)
endif()
# Create a revision file, containing the current git version info
include(VersionString)
write_version_header(${PROJECT_SOURCE_DIR}/src/ LIB_NAME "LibCIFPP")
# SymOp data table
if(CIFPP_RECREATE_SYMOP_DATA)
# The tool to create the table
add_executable(symop-map-generator "${PROJECT_SOURCE_DIR}/src/symop-map-generator.cpp")
add_custom_command(
OUTPUT ${PROJECT_SOURCE_DIR}/src/symop_table_data.hpp
COMMAND $<TARGET_FILE:symop-map-generator> $ENV{CLIBD}/syminfo.lib $ENV{CLIBD}/symop.lib ${PROJECT_SOURCE_DIR}/src/symop_table_data.hpp
)
add_custom_target(
OUTPUT ${PROJECT_SOURCE_DIR}/src/symop_table_data.hpp
DEPENDS symop-map-generator "$ENV{CLIBD}/syminfo.lib" "$ENV{CLIBD}/symop.lib"
)
endif()
# Sources
set(project_sources
${PROJECT_SOURCE_DIR}/src/category.cpp
${PROJECT_SOURCE_DIR}/src/condition.cpp
${PROJECT_SOURCE_DIR}/src/datablock.cpp
${PROJECT_SOURCE_DIR}/src/dictionary_parser.cpp
${PROJECT_SOURCE_DIR}/src/file.cpp
${PROJECT_SOURCE_DIR}/src/item.cpp
${PROJECT_SOURCE_DIR}/src/parser.cpp
${PROJECT_SOURCE_DIR}/src/row.cpp
${PROJECT_SOURCE_DIR}/src/validate.cpp
${PROJECT_SOURCE_DIR}/src/text.cpp
${PROJECT_SOURCE_DIR}/src/utilities.cpp
${PROJECT_SOURCE_DIR}/src/atom_type.cpp
${PROJECT_SOURCE_DIR}/src/compound.cpp
${PROJECT_SOURCE_DIR}/src/point.cpp
${PROJECT_SOURCE_DIR}/src/symmetry.cpp
${PROJECT_SOURCE_DIR}/src/model.cpp
${PROJECT_SOURCE_DIR}/src/pdb/cif2pdb.cpp
${PROJECT_SOURCE_DIR}/src/pdb/pdb2cif.cpp
${PROJECT_SOURCE_DIR}/src/pdb/pdb_record.hpp
${PROJECT_SOURCE_DIR}/src/pdb/pdb2cif_remark_3.hpp
${PROJECT_SOURCE_DIR}/src/pdb/pdb2cif_remark_3.cpp
)
set(project_headers
${PROJECT_SOURCE_DIR}/include/cif++.hpp
${PROJECT_SOURCE_DIR}/include/cif++/utilities.hpp
${PROJECT_SOURCE_DIR}/include/cif++/item.hpp
${PROJECT_SOURCE_DIR}/include/cif++/datablock.hpp
${PROJECT_SOURCE_DIR}/include/cif++/file.hpp
${PROJECT_SOURCE_DIR}/include/cif++/validate.hpp
${PROJECT_SOURCE_DIR}/include/cif++/iterator.hpp
${PROJECT_SOURCE_DIR}/include/cif++/parser.hpp
${PROJECT_SOURCE_DIR}/include/cif++/forward_decl.hpp
${PROJECT_SOURCE_DIR}/include/cif++/dictionary_parser.hpp
${PROJECT_SOURCE_DIR}/include/cif++/condition.hpp
${PROJECT_SOURCE_DIR}/include/cif++/category.hpp
${PROJECT_SOURCE_DIR}/include/cif++/row.hpp
${PROJECT_SOURCE_DIR}/include/cif++/atom_type.hpp
${PROJECT_SOURCE_DIR}/include/cif++/compound.hpp
${PROJECT_SOURCE_DIR}/include/cif++/point.hpp
${PROJECT_SOURCE_DIR}/include/cif++/symmetry.hpp
${PROJECT_SOURCE_DIR}/include/cif++/model.hpp
${PROJECT_SOURCE_DIR}/include/cif++/pdb.hpp
${PROJECT_SOURCE_DIR}/include/cif++/pdb/cif2pdb.hpp
${PROJECT_SOURCE_DIR}/include/cif++/pdb/io.hpp
${PROJECT_SOURCE_DIR}/include/cif++/pdb/pdb2cif.hpp
${PROJECT_SOURCE_DIR}/include/cif++/pdb/tls.hpp
)
add_library(cifpp ${project_sources} ${project_headers} ${PROJECT_SOURCE_DIR}/src/symop_table_data.hpp)
add_library(cifpp::cifpp ALIAS cifpp)
generate_export_header(cifpp EXPORT_FILE_NAME ${PROJECT_SOURCE_DIR}/include/cif++/exports.hpp)
if(BOOST_REGEX)
target_compile_definitions(cifpp PRIVATE USE_BOOST_REGEX=1 BOOST_REGEX_STANDALONE=1)
target_include_directories(cifpp PRIVATE regex/include)
endif()
if(MSVC)
target_compile_definitions(cifpp PUBLIC NOMINMAX=1)
endif()
set_target_properties(cifpp PROPERTIES POSITION_INDEPENDENT_CODE ON)
target_include_directories(cifpp
PUBLIC
"$<BUILD_INTERFACE:${PROJECT_SOURCE_DIR}/include;${PROJECT_BINARY_DIR};${EIGEN3_INCLUDE_DIR}>"
"$<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}>"
)
target_link_libraries(cifpp PUBLIC Threads::Threads ZLIB::ZLIB ${CIFPP_REQUIRED_LIBRARIES})
if(CMAKE_CXX_COMPILER_ID STREQUAL "AppleClang")
target_link_options(cifpp PRIVATE -undefined dynamic_lookup)
endif(CMAKE_CXX_COMPILER_ID STREQUAL "AppleClang")
if(CIFPP_DOWNLOAD_CCD)
# download the components.cif file from CCD
set(COMPONENTS_CIF ${PROJECT_SOURCE_DIR}/data/components.cif)
if(NOT EXISTS ${COMPONENTS_CIF})
if(NOT EXISTS ${PROJECT_SOURCE_DIR}/data)
file(MAKE_DIRECTORY ${PROJECT_SOURCE_DIR}/data/)
endif()
file(DOWNLOAD https://ftp.wwpdb.org/pub/pdb/data/monomers/components.cif ${COMPONENTS_CIF} SHOW_PROGRESS)
endif()
add_custom_target(COMPONENTS ALL DEPENDS ${COMPONENTS_CIF})
endif()
# Installation directories
set(CIFPP_DATA_DIR "${CMAKE_INSTALL_FULL_DATADIR}/libcifpp" CACHE PATH "The directory where dictionary files are stored")
target_compile_definitions(cifpp PUBLIC DATA_DIR="${CIFPP_DATA_DIR}")
if(UNIX)
set(CIFPP_CACHE_DIR "${CMAKE_INSTALL_FULL_LOCALSTATEDIR}/cache/libcifpp"
CACHE PATH "The directory where the update script stores new dictionary files")
target_compile_definitions(cifpp PUBLIC CACHE_DIR="${CIFPP_CACHE_DIR}")
set(CIFPP_ETC_DIR "${CMAKE_INSTALL_FULL_SYSCONFDIR}")
endif()
# Install rules
install(TARGETS cifpp
EXPORT cifppTargets
ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}
LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR}
RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR}
INCLUDES DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})
if(MSVC AND BUILD_SHARED_LIBS)
install(
FILES $<TARGET_PDB_FILE:${PROJECT_NAME}>
DESTINATION ${CMAKE_INSTALL_LIBDIR}
OPTIONAL)
endif()
install(EXPORT cifppTargets
FILE "cifppTargets.cmake"
NAMESPACE cifpp::
DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/cifpp
)
install(
DIRECTORY include/cif++
DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}
COMPONENT Devel
)
install(
FILES include/cif++.hpp
DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}
COMPONENT Devel
)
install(FILES
${PROJECT_SOURCE_DIR}/rsrc/mmcif_ddl.dic
${PROJECT_SOURCE_DIR}/rsrc/mmcif_pdbx.dic
${PROJECT_SOURCE_DIR}/rsrc/mmcif_ma.dic
${COMPONENTS_CIF}
DESTINATION ${CIFPP_DATA_DIR}
)
if(${CIFPP_CACHE_DIR})
install(FILES
${PROJECT_SOURCE_DIR}/rsrc/mmcif_ddl.dic
${PROJECT_SOURCE_DIR}/rsrc/mmcif_pdbx.dic
${PROJECT_SOURCE_DIR}/rsrc/mmcif_ma.dic
${COMPONENTS_CIF}
DESTINATION ${CIFPP_CACHE_DIR}
)
endif()
set(CONFIG_TEMPLATE_FILE ${PROJECT_SOURCE_DIR}/cmake/cifppConfig.cmake.in)
configure_package_config_file(
${CONFIG_TEMPLATE_FILE}
${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifppConfig.cmake
INSTALL_DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/cifpp
PATH_VARS CIFPP_DATA_DIR
)
install(FILES
"${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifppConfig.cmake"
"${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifppConfigVersion.cmake"
DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/cifpp
COMPONENT Devel
)
set_target_properties(cifpp PROPERTIES
VERSION ${PROJECT_VERSION}
SOVERSION "${PROJECT_VERSION_MAJOR}.${PROJECT_VERSION_MINOR}"
INTERFACE_cifpp_MAJOR_VERSION ${PROJECT_VERSION_MAJOR})
set_property(TARGET cifpp APPEND PROPERTY
COMPATIBLE_INTERFACE_STRING cifpp_MAJOR_VERSION
)
write_basic_package_version_file(
"${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifppConfigVersion.cmake"
VERSION ${PROJECT_VERSION}
COMPATIBILITY AnyNewerVersion
)
if(BUILD_TESTING)
find_package(Boost REQUIRED)
list(APPEND CIFPP_tests unit-v2 unit-3d format model rename-compound sugar spinner)
foreach(CIFPP_TEST IN LISTS CIFPP_tests)
set(CIFPP_TEST "${CIFPP_TEST}-test")
set(CIFPP_TEST_SOURCE "${CMAKE_CURRENT_SOURCE_DIR}/test/${CIFPP_TEST}.cpp")
add_executable(${CIFPP_TEST} ${CIFPP_TEST_SOURCE})
target_link_libraries(${CIFPP_TEST} PRIVATE Threads::Threads cifpp::cifpp Boost::boost)
if(MSVC)
# Specify unwind semantics so that MSVC knowns how to handle exceptions
target_compile_options(${CIFPP_TEST} PRIVATE /EHsc)
endif()
add_custom_target("run-${CIFPP_TEST}" DEPENDS ${CMAKE_CURRENT_BINARY_DIR}/Run${CIFPP_TEST}.touch ${CIFPP_TEST})
add_custom_command(
OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/Run${CIFPP_TEST}.touch
COMMAND $<TARGET_FILE:${CIFPP_TEST}> -- ${CMAKE_CURRENT_SOURCE_DIR}/test)
add_test(NAME ${CIFPP_TEST}
COMMAND $<TARGET_FILE:${CIFPP_TEST}> -- ${CMAKE_CURRENT_SOURCE_DIR}/test)
endforeach()
endif()
# Optionally install the update scripts for CCD and dictionary files
if(CIFPP_INSTALL_UPDATE_SCRIPT)
if(${CMAKE_SYSTEM_NAME} STREQUAL "Linux" OR ${CMAKE_SYSTEM_NAME} STREQUAL "GNU")
set(CIFPP_CRON_DIR "${CIFPP_ETC_DIR}/cron.weekly")
elseif(UNIX) # assume all others are like FreeBSD...
set(CIFPP_CRON_DIR "${CIFPP_ETC_DIR}/periodic/weekly")
else()
message(FATAL_ERROR "Don't know where to install the update script")
endif()
configure_file(${PROJECT_SOURCE_DIR}/tools/update-libcifpp-data.in update-libcifpp-data @ONLY)
install(
FILES ${CMAKE_CURRENT_BINARY_DIR}/update-libcifpp-data
DESTINATION ${CIFPP_CRON_DIR}
PERMISSIONS OWNER_EXECUTE OWNER_READ GROUP_EXECUTE GROUP_READ WORLD_EXECUTE WORLD_READ
)
install(DIRECTORY DESTINATION ${CIFPP_CACHE_DIR})
install(DIRECTORY DESTINATION "${CIFPP_ETC_DIR}/libcifpp/cache-update.d")
# a config to, to make it complete
if(NOT EXISTS "${CIFPP_ETC_DIR}/libcifpp.conf")
file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/libcifpp.conf [[# Uncomment the next line to enable automatic updates
# update=true
]])
install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libcifpp.conf DESTINATION "${CIFPP_ETC_DIR}")
install(CODE "message(\"A configuration file has been written to ${CIFPP_ETC_DIR}/libcifpp.conf, please edit this file to enable automatic updates\")")
endif()
target_compile_definitions(cifpp PUBLIC CACHE_DIR="${CIFPP_CACHE_DIR}")
endif()
if(BUILD_DOCUMENTATION)
add_subdirectory(docs)
endif()
set(CPACK_RESOURCE_FILE_LICENSE "${CMAKE_CURRENT_SOURCE_DIR}/LICENSE")
set(CPACK_SOURCE_TGZ ON)
set(CPACK_SOURCE_TBZ2 OFF)
set(CPACK_SOURCE_TXZ OFF)
set(CPACK_SOURCE_TZ OFF)
set(CPACK_SOURCE_IGNORE_FILES "/data/components.cif;/build;/.vscode;/.git")
set(CPACK_PACKAGE_FILE_NAME "${PROJECT_NAME}-${PROJECT_VERSION}")
set(CPACK_SOURCE_PACKAGE_FILE_NAME ${CPACK_PACKAGE_FILE_NAME})
include(CPack)