Fix build system

mychem · Jan 29, 2025 · dec78a4 · dec78a4
1 parent 9a736dc
commit dec78a4
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Showing 6 changed files with 267 additions and 181 deletions.
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -15,10 +15,10 @@ endif(COMMAND cmake_policy)
 #
 # We will define two other build types: Debug and Release.
 # These names are case-insensitive i.e. you can do -DCMAKE_BUILD_TYPE=debug
-if (NOT CMAKE_BUILD_TYPE)
-   message( "Build Type not set, defaulting to Debug..." )
-   set(CMAKE_BUILD_TYPE Debug)
-endif (NOT CMAKE_BUILD_TYPE)
+if(NOT CMAKE_BUILD_TYPE)
+  message( "Build Type not set, defaulting to Debug...")
+  set(CMAKE_BUILD_TYPE Debug)
+endif(NOT CMAKE_BUILD_TYPE)
 
 message(STATUS "The build type is ${CMAKE_BUILD_TYPE}")
 
@@ -28,29 +28,32 @@ include (CheckCXXCompilerFlag)
 set(MYCHEM_VERSION_MAJOR 2)
 set(MYCHEM_VERSION_MINOR 0)
 set(MYCHEM_VERSION_RELEASE 0)
-set(MYCHEM_VERSION "${MYCHEM_VERSION_MAJOR}.${MYCHEM_VERSION_MINOR}.${MYCHEM_VERSION_RELEASE}")
+set(
+  MYCHEM_VERSION
+  "${MYCHEM_VERSION_MAJOR}.${MYCHEM_VERSION_MINOR}.${MYCHEM_VERSION_RELEASE}"
+)
 
 #-----------------------------------------------------------------------------
 # Define test environment
 #-----------------------------------------------------------------------------
 
-if (NOT MY_DB)
-  set (MY_DB "mysql")
-endif (NOT MY_DB)
+if(NOT MY_DB)
+  set(MY_DB "mysql")
+endif(NOT MY_DB)
 
-if (MY_HOST AND MY_USER AND MY_PASSWD)
+if(MY_HOST AND MY_USER AND MY_PASSWD)
   set(MY_ARGS -h ${MY_HOST} -u ${MY_USER} -p ${MY_PASSWD} -b ${MY_DB})
   enable_testing()
-  message( STATUS "Test module enabled" )
-else (MY_HOST AND MY_USER AND MY_PASSWD)
-  if (MY_HOST AND MY_USER)
+  message( STATUS "Test module enabled")
+else(MY_HOST AND MY_USER AND MY_PASSWD)
+  if(MY_HOST AND MY_USER)
     set(MY_ARGS -h ${MY_HOST} -u ${MY_USER} -b ${MY_DB})
     enable_testing()
-    message( STATUS "Test module enabled" )
-  else (MY_HOST AND MY_USER)
-    message( STATUS "Test module disabled" )
-  endif (MY_HOST AND MY_USER)
-endif (MY_HOST AND MY_USER AND MY_PASSWD)
+    message(STATUS "Test module enabled")
+  else(MY_HOST AND MY_USER)
+    message(STATUS "Test module disabled")
+  endif(MY_HOST AND MY_USER)
+endif(MY_HOST AND MY_USER AND MY_PASSWD)
 
 option(BUILD_SHARED "enable static build support" ON)
 
@@ -59,13 +62,13 @@ option(BUILD_SHARED "enable static build support" ON)
 # Software dependency
 #-----------------------------------------------------------------------------
 
-include( FindPkgConfig )
+include(FindPkgConfig)
 
 # Open Babel dependency
-find_package( OpenBabel REQUIRED )
+find_package(OpenBabel REQUIRED)
 
 # MySQL
-find_package( MySQL REQUIRED )
+find_package(MySQL REQUIRED)
 
 
 #-----------------------------------------------------------------------------
@@ -84,86 +87,147 @@ include(CheckSymbolExists)
 include(CheckTypeSize)
 include(CheckCSourceCompiles)
 
-check_include_file(stdlib.h   HAVE_STLID_H)
-check_include_file(stdio.h       HAVE_STDIO_H)
-check_include_file(string.h   HAVE_STRING_H)
-check_include_file_cxx(sstream  HAVE_SSTREAM)
+check_include_file(stdlib.h HAVE_STLID_H)
+check_include_file(stdio.h HAVE_STDIO_H)
+check_include_file(string.h HAVE_STRING_H)
+check_include_file_cxx(sstream HAVE_SSTREAM)
 
-if (UNIX)
-  if (APPLE)
+if(UNIX)
+  if(APPLE)
     set(CMAKE_INSTALL_NAME_DIR ${LIB_INSTALL_DIR})
-  endif (APPLE)
-endif (UNIX)
-
-if (APPLE)
-  set (CMAKE_SHARED_LINKER_FLAGS "-single_module -multiply_defined suppress ${CMAKE_SHARED_LINKER_FLAGS}")
-  set (CMAKE_MODULE_LINKER_FLAGS "-multiply_defined suppress ${CMAKE_MODULE_LINKER_FLAGS}")
-  set (CMAKE_C_FLAGS     "${CMAKE_C_FLAGS} -fno-common")
-  set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fno-common")
-endif (APPLE)
-
-if (CMAKE_SYSTEM_NAME MATCHES Linux)
+  endif(APPLE)
+endif(UNIX)
+
+if(APPLE)
+  set(
+    CMAKE_SHARED_LINKER_FLAGS "${CMAKE_SHARED_LINKER_FLAGS} \
+    -single_module -multiply_defined suppress"
+  )
+  set(
+    CMAKE_MODULE_LINKER_FLAGS "${CMAKE_MODULE_LINKER_FLAGS} \
+    -multiply_defined suppress"
+  )
+  set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -fno-common")
+  set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fno-common")
+endif(APPLE)
+
+if(CMAKE_SYSTEM_NAME MATCHES Linux)
   # Fix a bug with dynamic plugin
   add_definitions( -D__CYGWIN__)
 
-  if (CMAKE_COMPILER_IS_GNUCXX)
-    set (CMAKE_SHARED_LINKER_FLAGS "-Wl,--fatal-warnings -Wl,--no-undefined -lc ${CMAKE_SHARED_LINKER_FLAGS}")
-    set (CMAKE_SHARED_LINKER_FLAGS "-Wl,--enable-new-dtags ${CMAKE_SHARED_LINKER_FLAGS}")
-    set (CMAKE_MODULE_LINKER_FLAGS "-Wl,--fatal-warnings -Wl,--no-undefined -lc ${CMAKE_MODULE_LINKER_FLAGS}")
-    set (CMAKE_MODULE_LINKER_FLAGS "-Wl,--enable-new-dtags ${CMAKE_MODULE_LINKER_FLAGS}")
-    set (CMAKE_EXE_LINKER_FLAGS "-Wl,--enable-new-dtags ${CMAKE_EXE_LINKER_FLAGS}")
-    set (CMAKE_EXE_LINKER_FLAGS "-Wl,--fatal-warnings -Wl,--no-undefined -lc ${CMAKE_EXE_LINKER_FLAGS}")
-  endif (CMAKE_COMPILER_IS_GNUCXX)
-
-  if (CMAKE_C_COMPILER MATCHES "icc")
-    set ( CMAKE_SHARED_LINKER_FLAGS "-Wl,--fatal-warnings -Wl,--no-undefined -lc ${CMAKE_SHARED_LINKER_FLAGS}")
-    set ( CMAKE_MODULE_LINKER_FLAGS "-Wl,--fatal-warnings -Wl,--no-undefined -lc ${CMAKE_MODULE_LINKER_FLAGS}")
-  endif (CMAKE_C_COMPILER MATCHES "icc")
-
-endif (CMAKE_SYSTEM_NAME MATCHES Linux)
+  if(CMAKE_COMPILER_IS_GNUCXX)
+    set(
+      CMAKE_SHARED_LINKER_FLAGS "${CMAKE_SHARED_LINKER_FLAGS} \
+      -Wl,--fatal-warnings -Wl,--no-undefined -lc"
+    )
+    set(
+      CMAKE_SHARED_LINKER_FLAGS
+      "${CMAKE_SHARED_LINKER_FLAGS} -Wl,--enable-new-dtags"
+    )
+    set(
+      CMAKE_MODULE_LINKER_FLAGS "${CMAKE_MODULE_LINKER_FLAGS} \
+      -Wl,--fatal-warnings -Wl,--no-undefined -lc"
+    )
+    set(
+      CMAKE_MODULE_LINKER_FLAGS
+      "${CMAKE_MODULE_LINKER_FLAGS} -Wl,--enable-new-dtags"
+    )
+    set(
+      CMAKE_EXE_LINKER_FLAGS
+      "${CMAKE_EXE_LINKER_FLAGS} -Wl,--enable-new-dtags"
+    )
+    set(
+      CMAKE_EXE_LINKER_FLAGS
+      "${CMAKE_EXE_LINKER_FLAGS} -Wl,--fatal-warnings -Wl,--no-undefined -lc"
+    )
+  endif(CMAKE_COMPILER_IS_GNUCXX)
+
+  if(CMAKE_C_COMPILER MATCHES "icc")
+    set(
+      CMAKE_SHARED_LINKER_FLAGS
+      "${CMAKE_SHARED_LINKER_FLAGS} \
+      -Wl,--fatal-warnings -Wl,--no-undefined -lc"
+    )
+    set(
+      CMAKE_MODULE_LINKER_FLAGS
+      "${CMAKE_MODULE_LINKER_FLAGS} \
+      -Wl,--fatal-warnings -Wl,--no-undefined -lc"
+    )
+  endif(CMAKE_C_COMPILER MATCHES "icc")
+
+endif(CMAKE_SYSTEM_NAME MATCHES Linux)
 
 
 #-----------------------------------------------------------------------------
 # Compiler specific settings
 #-----------------------------------------------------------------------------
 
-if (CMAKE_COMPILER_IS_GNUCXX)
-  set(CMAKE_CXX_FLAGS_RELEASE        "${CMAKE_CXX_FLAGS_RELEASE} -O3 -DNDEBUG")
-  set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "${CMAKE_CXX_FLAGS_RELWITHDEBINFO} -O2 -g")
-  set(CMAKE_CXX_FLAGS_DEBUG          "${CMAKE_CXX_FLAGS_DEBUG} -g3 -fno-inline -fno-reorder-blocks -fno-schedule-insns")
-  set(CMAKE_C_FLAGS_RELEASE          "${CMAKE_C_FLAGS_RELEASE} -O3 -DNDEBUG")
-  set(CMAKE_C_FLAGS_RELWITHDEBINFO   "${CMAKE_C_FLAGS_RELWITHDEBINFO} -O2 -g")
-  set(CMAKE_C_FLAGS_DEBUG            "${CMAKE_C_FLAGS_DEBUG} -g -O2 -fno-reorder-blocks -fno-schedule-insns -fno-inline")
-
-  if (CMAKE_SYSTEM_NAME MATCHES Linux)
-    set(CMAKE_C_FLAGS_DEBUG "${CMAKE_C_FLAGS_DEBUG} -Wno-long-long -std=iso9899:1990 -Wundef -Wcast-align -Werror-implicit-function-declaration -Wchar-subscripts -Wall -W -Wpointer-arith -Wwrite-strings -Wformat-security -Wmissing-format-attribute -fno-common")
-    set(CMAKE_CXX_FLAGS_DEBUG "${CMAKE_CXX_FLAGS_DEBUG} -Wnon-virtual-dtor -Wno-long-long -ansi -Wundef -Wcast-align -Wchar-subscripts -Wall -W -Wpointer-arith -Wformat-security -fno-check-new -fno-common")
-  endif (CMAKE_SYSTEM_NAME MATCHES Linux)
+if(CMAKE_COMPILER_IS_GNUCXX)
+  set(
+    CMAKE_CXX_FLAGS_RELEASE
+   "${CMAKE_CXX_FLAGS_RELEASE} -O3 -DNDEBUG"
+  )
+  set(
+    CMAKE_CXX_FLAGS_RELWITHDEBINFO
+    "${CMAKE_CXX_FLAGS_RELWITHDEBINFO} -O2 -g"
+  )
+  set(
+    CMAKE_CXX_FLAGS_DEBUG
+    "${CMAKE_CXX_FLAGS_DEBUG} \
+    -g3 -fno-inline -fno-reorder-blocks -fno-schedule-insns \
+    -Wall -Wextra"
+  )
+  set(
+    CMAKE_C_FLAGS_RELEASE
+    "${CMAKE_C_FLAGS_RELEASE} -O3 -DNDEBUG"
+  )
+  set(
+    CMAKE_C_FLAGS_RELWITHDEBINFO
+    "${CMAKE_C_FLAGS_RELWITHDEBINFO} -O2 -g"
+  )
+  set(
+    CMAKE_C_FLAGS_DEBUG
+   "${CMAKE_C_FLAGS_DEBUG} \
+    -g3 -fno-inline -fno-reorder-blocks -fno-schedule-insns \
+    -Wall -Wextra"
+  )
 
   # get the gcc version
-  exec_program(${CMAKE_C_COMPILER} ARGS --version OUTPUT_VARIABLE _gcc_version_info)
-
-  string (REGEX MATCH "[345]\\.[0-9]\\.[0-9]" _gcc_version "${_gcc_version_info}")
-   # gcc on mac just reports: "gcc (GCC) 3.3 20030304 ..." without the patch level, handle this here:
-  if (NOT _gcc_version)
-      string (REGEX REPLACE ".*\\(GCC\\).* ([34]\\.[0-9]) .*" "\\1.0" _gcc_version "${_gcc_version_info}")
-   endif (NOT _gcc_version)
-
-endif (CMAKE_COMPILER_IS_GNUCXX)
-
-if (CMAKE_C_COMPILER MATCHES "icc")
-
-   # Select flags.
-   set(CMAKE_CXX_FLAGS_RELEASE        "-O2 -DNDEBUG -DQT_NO_DEBUG")
-   set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g")
-   set(CMAKE_CXX_FLAGS_DEBUG          "-O2 -g -fno-inline -noalign")
-   set(CMAKE_C_FLAGS_RELEASE          "-O2 -DNDEBUG -DQT_NO_DEBUG")
-   set(CMAKE_C_FLAGS_RELWITHDEBINFO   "-O2 -g")
-   set(CMAKE_C_FLAGS_DEBUG            "-O2 -g -fno-inline -noalign")
-
-   set(CMAKE_C_FLAGS   "${CMAKE_C_FLAGS}   -ansi -Wall -w1 -Wpointer-arith -fno-common")
-   set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -ansi -Wall -w1 -Wpointer-arith -fno-exceptions -fno-common")
-endif (CMAKE_C_COMPILER MATCHES "icc")
+  exec_program(
+    ${CMAKE_C_COMPILER} ARGS --version OUTPUT_VARIABLE _gcc_version_info
+  )
+
+  string(
+    REGEX MATCH "[345]\\.[0-9]\\.[0-9]" _gcc_version "${_gcc_version_info}"
+  )
+  # gcc on mac just reports: "gcc (GCC) 3.3 20030304 ..." without the
+  # patch level, handle this here.
+  if(NOT _gcc_version)
+    string(
+      REGEX REPLACE ".*\\(GCC\\).* ([34]\\.[0-9]) .*" "\\1.0"
+      _gcc_version "${_gcc_version_info}"
+    )
+  endif(NOT _gcc_version)
+
+endif(CMAKE_COMPILER_IS_GNUCXX)
+
+if(CMAKE_C_COMPILER MATCHES "icc")
+  set(CMAKE_CXX_FLAGS_RELEASE "-O2 -DNDEBUG -DQT_NO_DEBUG")
+  set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g")
+  set(CMAKE_CXX_FLAGS_DEBUG "-O2 -g -fno-inline -noalign")
+  set(CMAKE_C_FLAGS_RELEASE "-O2 -DNDEBUG -DQT_NO_DEBUG")
+  set(CMAKE_C_FLAGS_RELWITHDEBINFO "-O2 -g")
+  set(CMAKE_C_FLAGS_DEBUG "-O2 -g -fno-inline -noalign")
+  set(
+    CMAKE_C_FLAGS
+    "${CMAKE_C_FLAGS} -ansi -Wall -w1 -Wpointer-arith -fno-common"
+  )
+  set(
+    CMAKE_CXX_FLAGS
+    "${CMAKE_CXX_FLAGS} \
+    -ansi -Wall -w1 -Wpointer-arith -fno-exceptions -fno-common"
+  )
+endif(CMAKE_C_COMPILER MATCHES "icc")
 
 
 #-----------------------------------------------------------------------------

diff --git a/cmake/modules/FindOpenBabel.cmake b/cmake/modules/FindOpenBabel.cmake
@@ -4,20 +4,22 @@
 #  OPENBABEL_FOUND - system has OpenBabel
 #  OPENBABEL_INCLUDE_DIR - the OpenBabel include directory
 #  OPENBABEL_LIBRARIES - Link these to use OpenBabel
+#  OPENBABEL_LIBRARY_FILE - Name of the OpenBabel library file
 
 # Redistribution and use is allowed according to the terms of the BSD license.
 # For details see the accompanying COPYING-CMAKE-SCRIPTS file.
 
 #
 # Search for Open Babel libraries and includes
 #
-if (OPENBABEL_INCLUDE_DIR AND OPENBABEL_LIBRARIES)
+if(OPENBABEL_INCLUDE_DIR AND OPENBABEL_LIBRARIES AND OPENBABEL_LIBRARY_FILE)
   # in cache already
   set(OPENBABEL_FOUND TRUE)
-else (OPENBABEL_INCLUDE_DIR AND OPENBABEL_LIBRARIES)
-
-    include(FindPkgConfig)
-
+else(OPENBABEL_INCLUDE_DIR AND OPENBABEL_LIBRARIES AND OPENBABEL_LIBRARY_FILE)
+    if(NOT PKG_CONFIG_FOUND)
+      include(CMakeFindDependencyMacro)
+      find_dependencu(PkgConfig)
+    endif()
     # query pkg-config asking for a openbabel-3
     exec_program(${PKG_CONFIG_EXECUTABLE} ARGS openbabel-3 RETURN_VALUE _return_VALUE OUTPUT_VARIABLE _pkgconfigDevNull )
     if(_return_VALUE STREQUAL "0")
@@ -48,8 +50,9 @@ else (OPENBABEL_INCLUDE_DIR AND OPENBABEL_LIBRARIES)
 
     if(OPENBABEL_INCLUDE_DIR AND OPENBABEL_LIBRARIES AND OPENBABEL_MINI_FOUND)
         set(OPENBABEL_FOUND TRUE)
+        get_filename_component(OPENBABEL_LIBRARY_FILE ${OPENBABEL_LIBRARIES} NAME)
     endif(OPENBABEL_INCLUDE_DIR AND OPENBABEL_LIBRARIES AND OPENBABEL_MINI_FOUND)
-endif()
+endif(OPENBABEL_INCLUDE_DIR AND OPENBABEL_LIBRARIES AND OPENBABEL_LIBRARY_FILE)
 
 if (OPENBABEL_FOUND)
     message(STATUS "Found OpenBabel: ${OPENBABEL_LIBRARIES}")
@@ -58,4 +61,4 @@ else (OPENBABEL_FOUND)
         message(FATAL_ERROR "Could NOT find OpenBabel")
     endif (OPENBABEL_FIND_REQUIRED)
 endif (OPENBABEL_FOUND)
-mark_as_advanced(OPENBABEL_INCLUDE_DIR OPENBABEL_LIBRARIES)
+mark_as_advanced(OPENBABEL_INCLUDE_DIR OPENBABEL_LIBRARIES OPENBABEL_LIBRARY_FILE)
diff --git a/include/mychem/config.h.cmake b/include/mychem/config.h.cmake
@@ -49,5 +49,8 @@
 /* Mychem version */
 #define MYCHEM_VERSION "${MYCHEM_VERSION}"
 
+/* OpenBabel lib version */
+#define OB_LIBRARY_FILE "${OPENBABEL_LIBRARY_FILE}"
+
 #endif /* __MYCHEM_CONFIG_H */