merge in Riccardo Vianello's changes to make it easier to build c++ programs using the RDKit with cmake

CMakeLists.txt

@@ -39,6 +39,7 @@ set(RDKit_ExternalDir "${CMAKE_SOURCE_DIR}/External")
 if(RDK_INSTALL_INTREE)
   set(RDKit_BinDir "${CMAKE_SOURCE_DIR}/bin")
   set(RDKit_LibDir "${CMAKE_SOURCE_DIR}/lib")
+  set(RDKit_HdrDir "Code") # used in rdkit-config.cmake, path prefix not needed.
 else(RDK_INSTALL_INTREE)
   set(RDKit_BinDir "bin")
   set(RDKit_LibDir "lib${LIB_SUFFIX}")
@@ -53,6 +54,21 @@ endif(RDK_BUILD_SWIG_WRAPPERS)
 
 # defines macros: rdkit_python_extension, rdkit_test
 include(RDKitUtils)
+install(EXPORT ${RDKit_EXPORTED_TARGETS} DESTINATION ${RDKit_LibDir})
+
+# create and install package configuration and version files
+configure_file (
+    ${RDKit_SOURCE_DIR}/rdkit-config.cmake.in
+    ${RDKit_BINARY_DIR}/rdkit-config.cmake @ONLY)
+
+configure_file (
+    ${RDKit_SOURCE_DIR}/rdkit-config-version.cmake.in
+    ${RDKit_BINARY_DIR}/rdkit-config-version.cmake @ONLY)
+
+install(FILES 
+    ${RDKit_BINARY_DIR}/rdkit-config.cmake
+    ${RDKit_BINARY_DIR}/rdkit-config-version.cmake
+    DESTINATION ${RDKit_LibDir})
 
 # extra boost versions
 if(MSVC)

Code/ML/Cluster/Murtagh/CMakeLists.txt

@@ -1,4 +1,5 @@
-add_library(hc STATIC hc.c hcdriver.c)
+# add_library(hc STATIC hc.c hcdriver.c)
+rdkit_library(hc hc.c hcdriver.c)
 
 rdkit_python_extension(Clustering Clustering.cpp
                        DEST ML/Cluster

Code/cmake/Modules/RDKitUtils.cmake

@@ -13,6 +13,8 @@ else(RDKit_Revision)
   set(RDKit_VERSION "${RDKit_VERSION}.0")
 endif(RDKit_Revision)
 
+set(RDKit_EXPORTED_TARGETS rdkit-targets)
+
 macro(rdkit_library)
   PARSE_ARGUMENTS(RDKLIB
     "LINK_LIBRARIES;DEST"
@@ -22,7 +24,7 @@ macro(rdkit_library)
   CDR(RDKLIB_SOURCES ${RDKLIB_DEFAULT_ARGS})
   if(MSVC)
     add_library(${RDKLIB_NAME} ${RDKLIB_SOURCES})
-    INSTALL(TARGETS ${RDKLIB_NAME} 
+    INSTALL(TARGETS ${RDKLIB_NAME} EXPORT ${RDKit_EXPORTED_TARGETS}
             DESTINATION ${RDKit_LibDir}/${RDKLIB_DEST}
             COMPONENT dev )
   else(MSVC)
@@ -31,12 +33,12 @@ macro(rdkit_library)
     # boundaries. As of now (June 2010), this doesn't work
     # with g++ unless libraries are shared.
       add_library(${RDKLIB_NAME} SHARED ${RDKLIB_SOURCES})
-      INSTALL(TARGETS ${RDKLIB_NAME} 
+      INSTALL(TARGETS ${RDKLIB_NAME} EXPORT ${RDKit_EXPORTED_TARGETS}
               DESTINATION ${RDKit_LibDir}/${RDKLIB_DEST}
               COMPONENT runtime )
       add_library(${RDKLIB_NAME}_static ${RDKLIB_SOURCES})
       if(RDK_INSTALL_STATIC_LIBS)
-        INSTALL(TARGETS ${RDKLIB_NAME}_static
+        INSTALL(TARGETS ${RDKLIB_NAME}_static EXPORT ${RDKit_EXPORTED_TARGETS}
                 DESTINATION ${RDKit_LibDir}/${RDKLIB_DEST}
                 COMPONENT dev )
       endif(RDK_INSTALL_STATIC_LIBS)

rdkit-config-version.cmake.in

@@ -0,0 +1,7 @@
+set (PACKAGE_VERSION "@RDKit_VERSION@")
+if (NOT "${PACKAGE_FIND_VERSION}" VERSION_GREATER  "@RDKit_VERSION@")
+    set (PACKAGE_VERSION_COMPATIBLE 1) # assuming backward compatible
+    if ("$PACKAGE_FIND_VERSION}" VERSION_EQUAL  "@RDKit_VERSION@")
+        set (PACKAGE_VERSION_EXACT 1) # matches exactly
+    endif ()
+endif ()

rdkit-config.cmake.in

@@ -0,0 +1,9 @@
+# Compute installation prefix relative to this file
+get_filename_component (_dir "${CMAKE_CURRENT_LIST_FILE}" PATH)
+get_filename_component (_prefix "${_dir}/.." ABSOLUTE)
+
+# Import the targets
+include ("${_prefix}/lib@LIB_SUFFIX@/@RDKit_EXPORTED_TARGETS@.cmake")
+
+# Report other info
+set (RDKit_INCLUDE_DIRS "${_prefix}/@RDKit_HdrDir@")