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libcifpp
Commit 844f52c9 by Maarten L. Hekkelman
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Merge branch 'develop' into trunk

parents 1e72ce48 e679cd05
Showing with 96 additions and 232 deletions
CMakeLists.txt
...@@ -27,7 +27,7 @@ cmake_minimum_required(VERSION 3.23) ...@@ -27,7 +27,7 @@ cmake_minimum_required(VERSION 3.23)
# set the project name # set the project name
project( project(
libcifpp libcifpp
VERSION 7.0.3 VERSION 7.0.4
LANGUAGES CXX) LANGUAGES CXX)
list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake") list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")
...@@ -40,11 +40,6 @@ include(CheckCXXSourceCompiles) ...@@ -40,11 +40,6 @@ include(CheckCXXSourceCompiles)
include(GenerateExportHeader) include(GenerateExportHeader)
include(CTest) include(CTest)
include(FetchContent) include(FetchContent)
include(ExternalProject)
set(CXX_EXTENSIONS OFF)
set(CMAKE_CXX_STANDARD 20)
set(CMAKE_CXX_STANDARD_REQUIRED ON)
# When building with ninja-multiconfig, build both debug and release by default # When building with ninja-multiconfig, build both debug and release by default
if(CMAKE_GENERATOR STREQUAL "Ninja Multi-Config") if(CMAKE_GENERATOR STREQUAL "Ninja Multi-Config")
...@@ -71,10 +66,7 @@ if(NOT(BUILD_FOR_CCP4 AND WIN32)) ...@@ -71,10 +66,7 @@ if(NOT(BUILD_FOR_CCP4 AND WIN32))
option(BUILD_SHARED_LIBS "Build a shared library instead of a static one" OFF) option(BUILD_SHARED_LIBS "Build a shared library instead of a static one" OFF)
endif() endif()
if(BUILD_FOR_CCP4) if(PROJECT_IS_TOP_LEVEL AND NOT BUILD_FOR_CCP4)
unset(CIFPP_DOWNLOAD_CCD)
unset(CIFPP_INSTALL_UPDATE_SCRIPT)
else()
# Lots of code depend on the availability of the components.cif file # Lots of code depend on the availability of the components.cif file
option(CIFPP_DOWNLOAD_CCD option(CIFPP_DOWNLOAD_CCD
"Download the CCD file components.cif during installation" ON) "Download the CCD file components.cif during installation" ON)
...@@ -84,6 +76,9 @@ else() ...@@ -84,6 +76,9 @@ else()
option(CIFPP_INSTALL_UPDATE_SCRIPT option(CIFPP_INSTALL_UPDATE_SCRIPT
"Install the script to update CCD and dictionary files" ON) "Install the script to update CCD and dictionary files" ON)
endif() endif()
else()
unset(CIFPP_DOWNLOAD_CCD)
unset(CIFPP_INSTALL_UPDATE_SCRIPT)
endif() endif()
# When CCP4 is sourced in the environment, we can recreate the symmetry # When CCP4 is sourced in the environment, we can recreate the symmetry
...@@ -126,6 +121,7 @@ if(WIN32) ...@@ -126,6 +121,7 @@ if(WIN32)
add_definitions(-D _WIN32_WINNT=0x0501) add_definitions(-D _WIN32_WINNT=0x0501)
endif() endif()
# Man, this is 2024 we're living in...
add_definitions(-DNOMINMAX) add_definitions(-DNOMINMAX)
# We do not want to write an export file for all our symbols... # We do not want to write an export file for all our symbols...
...@@ -137,6 +133,7 @@ if(MSVC) ...@@ -137,6 +133,7 @@ if(MSVC)
add_compile_options(/permissive- /bigobj) add_compile_options(/permissive- /bigobj)
add_link_options(/NODEFAULTLIB:library) add_link_options(/NODEFAULTLIB:library)
# This is dubious...
if(BUILD_SHARED_LIBS) if(BUILD_SHARED_LIBS)
set(CMAKE_MSVC_RUNTIME_LIBRARY "MultiThreaded$<$<CONFIG:Debug>:Debug>DLL") set(CMAKE_MSVC_RUNTIME_LIBRARY "MultiThreaded$<$<CONFIG:Debug>:Debug>DLL")
else() else()
...@@ -221,7 +218,10 @@ if(MSVC) ...@@ -221,7 +218,10 @@ if(MSVC)
endforeach() endforeach()
endif() endif()
find_package(ZLIB REQUIRED) find_package(ZLIB QUIET)
if(NOT ZLIB_FOUND)
message(FATAL_ERROR "The zlib development files were not found you this system, please install them and try again (hint: on debian/ubuntu use apt-get install zlib1g-dev)")
endif()
# Using Eigen3 is a bit of a thing. We don't want to build it completely since # Using Eigen3 is a bit of a thing. We don't want to build it completely since
# we only need a couple of header files. Nothing special. But often, eigen3 is # we only need a couple of header files. Nothing special. But often, eigen3 is
...@@ -247,12 +247,6 @@ else() ...@@ -247,12 +247,6 @@ else()
set(EIGEN_INCLUDE_DIR ${my-eigen3_SOURCE_DIR}) set(EIGEN_INCLUDE_DIR ${my-eigen3_SOURCE_DIR})
endif() endif()
include(FindFilesystem)
list(APPEND CIFPP_REQUIRED_LIBRARIES ${STDCPPFS_LIBRARY})
include(FindAtomic)
list(APPEND CIFPP_REQUIRED_LIBRARIES ${STDCPPATOMIC_LIBRARY})
# Create a revision file, containing the current git version info # Create a revision file, containing the current git version info
include(VersionString) include(VersionString)
write_version_header(${CMAKE_CURRENT_SOURCE_DIR}/src/ LIB_NAME "LibCIFPP") write_version_header(${CMAKE_CURRENT_SOURCE_DIR}/src/ LIB_NAME "LibCIFPP")
...@@ -374,8 +368,7 @@ target_include_directories( ...@@ -374,8 +368,7 @@ target_include_directories(
"$<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}>" "$<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}>"
PRIVATE "${BOOST_REGEX_INCLUDE_DIR}" "${EIGEN_INCLUDE_DIR}") PRIVATE "${BOOST_REGEX_INCLUDE_DIR}" "${EIGEN_INCLUDE_DIR}")
target_link_libraries(cifpp PUBLIC Threads::Threads ZLIB::ZLIB target_link_libraries(cifpp PUBLIC Threads::Threads ZLIB::ZLIB)
${CIFPP_REQUIRED_LIBRARIES})
if(CMAKE_CXX_COMPILER_ID STREQUAL "AppleClang") if(CMAKE_CXX_COMPILER_ID STREQUAL "AppleClang")
target_link_options(cifpp PRIVATE -undefined dynamic_lookup) target_link_options(cifpp PRIVATE -undefined dynamic_lookup)
...@@ -468,80 +461,81 @@ else() ...@@ -468,80 +461,81 @@ else()
unset(CIFPP_CACHE_DIR) unset(CIFPP_CACHE_DIR)
endif() endif()
# Install rules # Avoid full installation in case we are not the top level target
install(TARGETS cifpp if(PROJECT_IS_TOP_LEVEL OR BUILD_FOR_CCP4)
EXPORT cifpp # Install rules
FILE_SET cifpp_headers DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}) install(TARGETS cifpp
EXPORT cifpp
if(MSVC AND BUILD_SHARED_LIBS) FILE_SET cifpp_headers DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})
install(
FILES $<TARGET_PDB_FILE:cifpp>
DESTINATION ${CMAKE_INSTALL_LIBDIR}
OPTIONAL)
endif()
# Clean up old config files (with old names) if(MSVC AND BUILD_SHARED_LIBS)
file(GLOB OLD_CONFIG_FILES install(
${CMAKE_INSTALL_FULL_LIBDIR}/cmake/cifpp/cifppConfig*.cmake FILES $<TARGET_PDB_FILE:cifpp>
${CMAKE_INSTALL_FULL_LIBDIR}/cmake/cifpp/cifppTargets*.cmake) DESTINATION ${CMAKE_INSTALL_LIBDIR}
OPTIONAL)
endif()
if(OLD_CONFIG_FILES) # Clean up old config files (with old names)
message( file(GLOB OLD_CONFIG_FILES
STATUS "Installation will remove old config files: ${OLD_CONFIG_FILES}") ${CMAKE_INSTALL_FULL_LIBDIR}/cmake/cifpp/cifppConfig*.cmake
install(CODE "file(REMOVE ${OLD_CONFIG_FILES})") ${CMAKE_INSTALL_FULL_LIBDIR}/cmake/cifpp/cifppTargets*.cmake)
endif()
install(EXPORT cifpp if(OLD_CONFIG_FILES)
NAMESPACE cifpp:: message(
FILE "cifpp-targets.cmake" STATUS "Installation will remove old config files: ${OLD_CONFIG_FILES}")
DESTINATION lib/cmake/cifpp) install(CODE "file(REMOVE ${OLD_CONFIG_FILES})")
endif()
if(CIFPP_DATA_DIR AND CIFPP_DOWNLOAD_CCD) install(EXPORT cifpp
install( NAMESPACE cifpp::
FILES ${CMAKE_CURRENT_SOURCE_DIR}/rsrc/mmcif_ddl.dic FILE "cifpp-targets.cmake"
${CMAKE_CURRENT_SOURCE_DIR}/rsrc/mmcif_pdbx.dic DESTINATION lib/cmake/cifpp)
${CMAKE_CURRENT_SOURCE_DIR}/rsrc/mmcif_ma.dic ${COMPONENTS_CIF}
DESTINATION ${CIFPP_DATA_DIR})
endif()
if(CIFPP_CACHE_DIR AND CIFPP_DOWNLOAD_CCD) if(CIFPP_DATA_DIR AND CIFPP_DOWNLOAD_CCD)
install( install(
FILES ${CMAKE_CURRENT_SOURCE_DIR}/rsrc/mmcif_ddl.dic FILES ${CMAKE_CURRENT_SOURCE_DIR}/rsrc/mmcif_ddl.dic
${CMAKE_CURRENT_SOURCE_DIR}/rsrc/mmcif_pdbx.dic ${CMAKE_CURRENT_SOURCE_DIR}/rsrc/mmcif_pdbx.dic
${CMAKE_CURRENT_SOURCE_DIR}/rsrc/mmcif_ma.dic ${COMPONENTS_CIF} ${CMAKE_CURRENT_SOURCE_DIR}/rsrc/mmcif_ma.dic ${COMPONENTS_CIF}
DESTINATION ${CIFPP_CACHE_DIR}) DESTINATION ${CIFPP_DATA_DIR})
endif() endif()
set(CONFIG_TEMPLATE_FILE ${CMAKE_CURRENT_SOURCE_DIR}/cmake/cifpp-config.cmake.in) if(CIFPP_CACHE_DIR AND CIFPP_DOWNLOAD_CCD)
install(
FILES ${CMAKE_CURRENT_SOURCE_DIR}/rsrc/mmcif_ddl.dic
${CMAKE_CURRENT_SOURCE_DIR}/rsrc/mmcif_pdbx.dic
${CMAKE_CURRENT_SOURCE_DIR}/rsrc/mmcif_ma.dic ${COMPONENTS_CIF}
DESTINATION ${CIFPP_CACHE_DIR})
endif()
configure_package_config_file( set(CONFIG_TEMPLATE_FILE ${CMAKE_CURRENT_SOURCE_DIR}/cmake/cifpp-config.cmake.in)
${CONFIG_TEMPLATE_FILE} ${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifpp-config.cmake
INSTALL_DESTINATION lib/cmake/cifpp
PATH_VARS CIFPP_DATA_DIR)
install( configure_package_config_file(
FILES "${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifpp-config.cmake" ${CONFIG_TEMPLATE_FILE} ${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifpp-config.cmake
"${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifpp-config-version.cmake" INSTALL_DESTINATION lib/cmake/cifpp
DESTINATION lib/cmake/cifpp) PATH_VARS CIFPP_DATA_DIR)
set_target_properties( install(
cifpp FILES "${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifpp-config.cmake"
PROPERTIES VERSION ${PROJECT_VERSION} "${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifpp-config-version.cmake"
SOVERSION "${PROJECT_VERSION_MAJOR}.${PROJECT_VERSION_MINOR}" DESTINATION lib/cmake/cifpp)
INTERFACE_cifpp_MAJOR_VERSION ${PROJECT_VERSION_MAJOR})
set_target_properties(
set_property( cifpp
TARGET cifpp PROPERTIES VERSION ${PROJECT_VERSION}
APPEND SOVERSION "${PROJECT_VERSION_MAJOR}.${PROJECT_VERSION_MINOR}"
PROPERTY COMPATIBLE_INTERFACE_STRING cifpp_MAJOR_VERSION) INTERFACE_cifpp_MAJOR_VERSION ${PROJECT_VERSION_MAJOR})
write_basic_package_version_file( set_property(
"${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifpp-config-version.cmake" TARGET cifpp
VERSION ${PROJECT_VERSION} APPEND
COMPATIBILITY AnyNewerVersion) PROPERTY COMPATIBLE_INTERFACE_STRING cifpp_MAJOR_VERSION)
# In case we're included as sub_directory: write_basic_package_version_file(
if(NOT PROJECT_IS_TOP_LEVEL) "${CMAKE_CURRENT_BINARY_DIR}/cifpp/cifpp-config-version.cmake"
VERSION ${PROJECT_VERSION}
COMPATIBILITY AnyNewerVersion)
else()
# Set this variable so that consumers can find the files in rsrc
set(CIFPP_SHARE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/rsrc PARENT_SCOPE) set(CIFPP_SHARE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/rsrc PARENT_SCOPE)
endif() endif()
...@@ -602,13 +596,3 @@ endif() ...@@ -602,13 +596,3 @@ endif()
if(BUILD_DOCUMENTATION) if(BUILD_DOCUMENTATION)
add_subdirectory(docs) add_subdirectory(docs)
endif() endif()
set(CPACK_RESOURCE_FILE_LICENSE "${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 "/rsrc/components.cif;/build;/.vscode;/.git")
set(CPACK_PACKAGE_FILE_NAME "${PROJECT_NAME}-${PROJECT_VERSION}")
set(CPACK_SOURCE_PACKAGE_FILE_NAME ${CPACK_PACKAGE_FILE_NAME})
include(CPack)
changelog
Version 7.0.4
- Do not install headers and library in case we're not the top project
Version 7.0.3 Version 7.0.3
- Fix installation, write exports.hpp again - Fix installation, write exports.hpp again
......
cmake/FindAtomic.cmake deleted 100644 → 0
# Simple check to see if we need a library for std::atomic
if(TARGET std::atomic)
return()
endif()
cmake_minimum_required(VERSION 3.10)
include(CMakePushCheckState)
include(CheckIncludeFileCXX)
include(CheckCXXSourceRuns)
cmake_push_check_state()
check_include_file_cxx("atomic" _CXX_ATOMIC_HAVE_HEADER)
mark_as_advanced(_CXX_ATOMIC_HAVE_HEADER)
set(code [[
#include <atomic>
int main(int argc, char** argv) {
std::atomic<long long> s;
++s;
return 0;
}
]])
check_cxx_source_runs("${code}" _CXX_ATOMIC_BUILTIN)
if(_CXX_ATOMIC_BUILTIN)
set(_found 1)
else()
list(APPEND CMAKE_REQUIRED_LIBRARIES atomic)
list(APPEND FOLLY_LINK_LIBRARIES atomic)
check_cxx_source_runs("${code}" _CXX_ATOMIC_LIB_NEEDED)
if (NOT _CXX_ATOMIC_LIB_NEEDED)
message(FATAL_ERROR "unable to link C++ std::atomic code: you may need \
to install GNU libatomic")
else()
set(_found 1)
endif()
endif()
if(_found)
add_library(std::atomic INTERFACE IMPORTED)
set_property(TARGET std::atomic APPEND PROPERTY INTERFACE_COMPILE_FEATURES cxx_std_14)
if(_CXX_ATOMIC_BUILTIN)
# Nothing to add...
elseif(_CXX_ATOMIC_LIB_NEEDED)
set_target_properties(std::atomic PROPERTIES IMPORTED_LIBNAME atomic)
set(STDCPPATOMIC_LIBRARY atomic)
endif()
endif()
cmake_pop_check_state()
set(Atomic_FOUND ${_found} CACHE BOOL "TRUE if we can run a program using std::atomic" FORCE)
mark_as_advanced(Atomic_FOUND)
if(Atomic_FIND_REQUIRED AND NOT Atomic_FOUND)
message(FATAL_ERROR "Cannot run simple program using std::atomic")
endif()
cmake/FindFilesystem.cmake deleted 100644 → 0
# Simplistic reimplementation of https://github.com/vector-of-bool/CMakeCM/blob/master/modules/FindFilesystem.cmake
if(TARGET std::filesystem)
return()
endif()
cmake_minimum_required(VERSION 3.10)
include(CMakePushCheckState)
include(CheckIncludeFileCXX)
include(CheckCXXSourceCompiles)
cmake_push_check_state()
check_include_file_cxx("filesystem" _CXX_FILESYSTEM_HAVE_HEADER)
mark_as_advanced(_CXX_FILESYSTEM_HAVE_HEADER)
set(code [[
#include <cstdlib>
#include <filesystem>
int main() {
auto cwd = std::filesystem::current_path();
return EXIT_SUCCESS;
}
]])
if(CMAKE_CXX_COMPILER_ID STREQUAL "GNU" AND CMAKE_CXX_COMPILER_VERSION VERSION_LESS_EQUAL 8.4.0)
# >> https://stackoverflow.com/questions/63902528/program-crashes-when-filesystempath-is-destroyed
set(CXX_FILESYSTEM_NO_LINK_NEEDED 0)
else()
# Check a simple filesystem program without any linker flags
check_cxx_source_compiles("${code}" CXX_FILESYSTEM_NO_LINK_NEEDED)
endif()
if(CXX_FILESYSTEM_NO_LINK_NEEDED)
set(_found 1)
else()
set(prev_libraries ${CMAKE_REQUIRED_LIBRARIES})
# Add the libstdc++ flag
set(CMAKE_REQUIRED_LIBRARIES ${prev_libraries} -lstdc++fs)
check_cxx_source_compiles("${code}" CXX_FILESYSTEM_STDCPPFS_NEEDED)
set(_found ${CXX_FILESYSTEM_STDCPPFS_NEEDED})
if(NOT CXX_FILESYSTEM_STDCPPFS_NEEDED)
# Try the libc++ flag
set(CMAKE_REQUIRED_LIBRARIES ${prev_libraries} -lc++fs)
check_cxx_source_compiles("${code}" CXX_FILESYSTEM_CPPFS_NEEDED)
set(_found ${CXX_FILESYSTEM_CPPFS_NEEDED})
endif()
endif()
if(_found)
add_library(std::filesystem INTERFACE IMPORTED)
set_property(TARGET std::filesystem APPEND PROPERTY INTERFACE_COMPILE_FEATURES cxx_std_17)
if(CXX_FILESYSTEM_NO_LINK_NEEDED)
# Nothing to add...
elseif(CXX_FILESYSTEM_STDCPPFS_NEEDED)
set_target_properties(std::filesystem PROPERTIES IMPORTED_LIBNAME stdc++fs)
set(STDCPPFS_LIBRARY stdc++fs)
elseif(CXX_FILESYSTEM_CPPFS_NEEDED)
set_target_properties(std::filesystem PROPERTIES IMPORTED_LIBNAME c++fs)
set(STDCPPFS_LIBRARY c++fs)
endif()
endif()
cmake_pop_check_state()
set(Filesystem_FOUND ${_found} CACHE BOOL "TRUE if we can run a program using std::filesystem" FORCE)
mark_as_advanced(Filesystem_FOUND)
if(Filesystem_FIND_REQUIRED AND NOT Filesystem_FOUND)
message(FATAL_ERROR "Cannot run simple program using std::filesystem")
endif()
src/utilities.cpp
...@@ -877,6 +877,21 @@ class resource_pool ...@@ -877,6 +877,21 @@ class resource_pool
resource_pool::resource_pool() resource_pool::resource_pool()
{ {
// directories are searched in reverse order
// As a last resort, try the location that might have been
// used during installation, works only when running on an
// OS with a proc file system.
std::error_code ec;
if (auto exefile = fs::read_symlink("/proc/self/exe", ec); not ec and exefile.parent_path().filename() == "bin")
{
auto install_prefix = exefile.parent_path().parent_path();
auto data_dir = install_prefix / "share" / "libcifpp";
if (fs::exists(data_dir, ec))
pushDir(data_dir);
}
#if defined(DATA_DIR) #if defined(DATA_DIR)
pushDir(DATA_DIR); pushDir(DATA_DIR);
#endif #endif
......
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