export the targets with a python dependency to a different config file (rdkit#7914)

* export the targets with a python dependency to a different config file

* add the forgotten file

* improve the dependency from boost components

* fix management of dependencies for RDKitPython

* fix install location for RdkitPython cmake config file

* fix finding boost components

* put libraries that depend on rdkit_py_base in the python component

Author: rvianello

CMakeLists.txt

@@ -305,8 +305,8 @@ if(RDK_BUILD_PYTHON_WRAPPERS)
   #-------
   # pull in python:
   find_package(Python3 COMPONENTS Interpreter Development.Module NumPy)
-  target_include_directories(rdkit_base INTERFACE ${Python3_INCLUDE_DIRS})
-  target_include_directories(rdkit_base INTERFACE ${Python3_NumPy_INCLUDE_DIRS})
+  target_include_directories(rdkit_py_base INTERFACE ${Python3_INCLUDE_DIRS})
+  target_include_directories(rdkit_py_base INTERFACE ${Python3_NumPy_INCLUDE_DIRS})
 
   # determine linkage of python
   execute_process(
@@ -380,7 +380,7 @@ if(RDK_BUILD_PYTHON_WRAPPERS)
   endif()
 
 
-  install(TARGETS rdkit_py_base EXPORT ${RDKit_EXPORTED_TARGETS}
+  install(TARGETS rdkit_py_base EXPORT ${RDKitPython_EXPORTED_TARGETS}
           COMPONENT dev )
 
   # check to see if we can find nbval,
@@ -604,6 +604,9 @@ if(RDK_BUILD_CONTRIB)
 endif(RDK_BUILD_CONTRIB)
 
 # export the project targets (to be included in the cmake package configuration)
+include(CMakePackageConfigHelpers)
+
+# first manage the targets for the base C++ toolkit
 install(
   EXPORT ${RDKit_EXPORTED_TARGETS}
   FILE ${RDKit_EXPORTED_TARGETS}.cmake
@@ -612,7 +615,6 @@ install(
 )
 
 # create and install package configuration and version files
-include(CMakePackageConfigHelpers)
 write_basic_package_version_file(
   "${RDKit_BINARY_DIR}/rdkit-config-version.cmake"
   VERSION ${RDKit_RELEASENAME}
@@ -628,6 +630,31 @@ install(FILES
     ${RDKit_BINARY_DIR}/rdkit-config-version.cmake
     DESTINATION ${RDKit_LibDir}/cmake/rdkit)
 
+# then manage the targets for the python bindings
+if(RDK_BUILD_PYTHON_WRAPPERS)
+  install(
+    EXPORT ${RDKitPython_EXPORTED_TARGETS}
+    FILE ${RDKitPython_EXPORTED_TARGETS}.cmake
+    NAMESPACE RDKit::
+    DESTINATION ${RDKit_LibDir}/cmake/rdkitpython
+  )
+
+  write_basic_package_version_file(
+    "${RDKit_BINARY_DIR}/rdkitpython-config-version.cmake"
+    VERSION ${RDKit_RELEASENAME}
+    COMPATIBILITY AnyNewerVersion
+  )
+
+  configure_file (
+    ${RDKit_SOURCE_DIR}/rdkitpython-config.cmake.in
+    ${RDKit_BINARY_DIR}/rdkitpython-config.cmake @ONLY)
+
+  install(FILES
+    ${RDKit_BINARY_DIR}/rdkitpython-config.cmake
+    ${RDKit_BINARY_DIR}/rdkitpython-config-version.cmake
+    DESTINATION ${RDKit_LibDir}/cmake/rdkitpython)
+endif(RDK_BUILD_PYTHON_WRAPPERS)
+
 # Memory testing setup
 FIND_PROGRAM(MEMORYCHECK_COMMAND valgrind)
 CONFIGURE_FILE(CTestCustom.ctest.in ${RDKit_BINARY_DIR}/CTestCustom.ctest)

Code/RDBoost/CMakeLists.txt

@@ -1,14 +1,11 @@
-if(WIN32 OR "${Py_ENABLE_SHARED}" STREQUAL "1")
-    rdkit_library(RDBoost Wrap.cpp
-                LINK_LIBRARIES RDGeneral rdkit_py_base rdkit_base)
-else()
-    rdkit_library(RDBoost Wrap.cpp
-                LINK_LIBRARIES RDGeneral rdkit_base)
-    if("${PYTHON_LDSHARED}" STREQUAL "")
-    else()       # fixes an apple issue
-       STRING(REGEX REPLACE "-bundle" "" LDSHARED ${PYTHON_LDSHARED})
-       set_target_properties(RDBoost PROPERTIES LINK_FLAGS ${LDSHARED})
-    endif()
+rdkit_library(RDBoost Wrap.cpp
+              LINK_LIBRARIES RDGeneral rdkit_py_base)
+if(NOT WIN32 AND
+   NOT "${Py_ENABLE_SHARED}" STREQUAL "1" AND
+   NOT "${PYTHON_LDSHARED}" STREQUAL "")
+   # fixes an apple issue
+   STRING(REGEX REPLACE "-bundle" "" LDSHARED ${PYTHON_LDSHARED})
+   set_target_properties(RDBoost PROPERTIES LINK_FLAGS ${LDSHARED})
 endif()
 target_compile_definitions(RDBoost PRIVATE RDKIT_RDBOOST_BUILD)
 

Code/cmake/Modules/RDKitUtils.cmake

@@ -24,6 +24,7 @@ else()
 endif()
 set(RDKit_BUILDNAME "${CMAKE_SYSTEM_NAME}|${CMAKE_SYSTEM_VERSION}|${systemAttribute}|${compilerID}|${bit3264}")
 set(RDKit_EXPORTED_TARGETS rdkit-targets)
+set(RDKitPython_EXPORTED_TARGETS rdkitpython-targets)
 
 
 macro(rdkit_library)
@@ -33,13 +34,25 @@ macro(rdkit_library)
     ${ARGN})
   CAR(RDKLIB_NAME ${RDKLIB_DEFAULT_ARGS})
   CDR(RDKLIB_SOURCES ${RDKLIB_DEFAULT_ARGS})
+  # select the export and component name for the installed library
+  set(exportName ${RDKit_EXPORTED_TARGETS})
+  set(sharedLibComponent runtime)
+  set(staticLibComponent dev)
+  foreach(linkLib ${RDKLIB_LINK_LIBRARIES})
+    if("${linkLib}" STREQUAL "rdkit_py_base")
+      set(exportName ${RDKitPython_EXPORTED_TARGETS})
+      set(sharedLibComponent python)
+      set(staticLibComponent python)
+      break()
+    endif()
+  endforeach()
   if((MSVC AND (NOT RDK_INSTALL_DLLS_MSVC)) OR (WIN32 AND RDK_INSTALL_STATIC_LIBS))
     add_library(${RDKLIB_NAME} ${RDKLIB_SOURCES})
     target_link_libraries(${RDKLIB_NAME} PUBLIC rdkit_base)
     if(RDK_INSTALL_DEV_COMPONENT)
-      INSTALL(TARGETS ${RDKLIB_NAME} EXPORT ${RDKit_EXPORTED_TARGETS}
+      INSTALL(TARGETS ${RDKLIB_NAME} EXPORT ${exportName}
               DESTINATION ${RDKit_LibDir}/${RDKLIB_DEST}
-              COMPONENT dev )
+              COMPONENT ${staticLibComponent})
     endif(RDK_INSTALL_DEV_COMPONENT)
   else()
     # we're going to always build in shared mode since we
@@ -48,9 +61,9 @@ macro(rdkit_library)
     # with g++ unless libraries are shared.
     add_library(${RDKLIB_NAME} SHARED ${RDKLIB_SOURCES})
     target_link_libraries(${RDKLIB_NAME} PUBLIC rdkit_base)
-    INSTALL(TARGETS ${RDKLIB_NAME} EXPORT ${RDKit_EXPORTED_TARGETS}
+    INSTALL(TARGETS ${RDKLIB_NAME} EXPORT ${exportName}
             DESTINATION ${RDKit_LibDir}/${RDKLIB_DEST}
-            COMPONENT runtime )
+            COMPONENT ${sharedLibComponent})
     if(RDK_INSTALL_STATIC_LIBS)
       add_library(${RDKLIB_NAME}_static ${RDKLIB_SOURCES})
 
@@ -60,7 +73,11 @@ macro(rdkit_library)
           set(skipNext FALSE)
           continue()
         endif()
-        if(TARGET "${linkLib}")
+        if("${linkLib}" STREQUAL "rdkit_py_base")
+          # rdkit_py_base is an interface target, keep it as-is
+          target_link_libraries(${RDKLIB_NAME}_static PUBLIC "${linkLib}")
+          continue()
+        elseif(TARGET "${linkLib}")
           get_target_property(linkLib_IMPORTED "${linkLib}" IMPORTED)
           if (linkLib_IMPORTED)
             # linkLib is an imported target: use it as-is
@@ -97,9 +114,9 @@ macro(rdkit_library)
       endforeach()
       target_link_libraries(${RDKLIB_NAME}_static PUBLIC rdkit_base)
       if(RDK_INSTALL_DEV_COMPONENT)
-        INSTALL(TARGETS ${RDKLIB_NAME}_static EXPORT ${RDKit_EXPORTED_TARGETS}
+        INSTALL(TARGETS ${RDKLIB_NAME}_static EXPORT ${exportName}
                 DESTINATION ${RDKit_LibDir}/${RDKLIB_DEST}
-                COMPONENT dev )
+                COMPONENT ${staticLibComponent})
       endif(RDK_INSTALL_DEV_COMPONENT)
       set_target_properties(${RDKLIB_NAME}_static PROPERTIES
                             OUTPUT_NAME "RDKit${RDKLIB_NAME}_static")

rdkit-config.cmake.in

@@ -24,15 +24,22 @@ set(RDKit_HAS_URF_SUPPORT @RDK_USE_URF@)
 set(RDKit_USE_OPTIMIZED_POPCNT @RDK_OPTIMIZE_POPCNT@)
 set(RDKit_USE_STRICT_ROTOR_DEFINITION @RDK_USE_STRICT_ROTOR_DEFINITION@)
 set(RDKit_USE_BOOST_VERSION @Boost_VERSION_STRING@)
-set(RDKit_USE_BOOST_SERIALIZATION @RDK_USE_BOOST_SERIALIZATION@)
+set(RDKit_USE_BOOST_COMPONENTS system)
 set(RDKit_USE_BOOST_IOSTREAMS @RDK_USE_BOOST_IOSTREAMS@)
+if (RDKit_USE_BOOST_IOSTREAMS)
+    set(RDKit_USE_BOOST_COMPONENTS ${RDKit_USE_BOOST_COMPONENTS} iostreams)
+endif()
+set(RDKit_USE_BOOST_SERIALIZATION @RDK_USE_BOOST_SERIALIZATION@)
+if (RDKit_USE_BOOST_SERIALIZATION)
+    set(RDKit_USE_BOOST_COMPONENTS ${RDKit_USE_BOOST_COMPONENTS} serialization)
+endif()
 
 # Find the RDKit dependencies
 include(CMakeFindDependencyMacro)
 
 find_dependency(Threads REQUIRED)
 
-find_dependency(Boost @Boost_VERSION_STRING@ REQUIRED)
+find_dependency(Boost @Boost_VERSION_STRING@ COMPONENTS headers ${RDKit_USE_BOOST_COMPONENTS})
 
 if(RDKit_HAS_DESCRIPTORS3D)
     find_dependency(Eigen3 REQUIRED NO_MODULE)

rdkitpython-config.cmake.in

@@ -0,0 +1,9 @@
+# Find the RDKitPython dependencies
+include(CMakeFindDependencyMacro)
+
+find_dependency(Python3 @Python3_VERSION_MAJOR@.@Python3_VERSION_MINOR@ COMPONENTS Interpreter Development.Module NumPy)
+find_dependency(Boost @Boost_VERSION_STRING@ COMPONENTS python@Python3_VERSION_MAJOR@@Python3_VERSION_MINOR@ numpy@Python3_VERSION_MAJOR@@Python3_VERSION_MINOR@)
+find_dependency(RDKit @RDKit_RELEASENAME@ REQUIRED)
+
+# Import the targets
+include("${CMAKE_CURRENT_LIST_DIR}/@[email protected]")