builds on darwin; all tests except testGrid pass

Code/CMakeLists.txt

@@ -21,10 +21,18 @@ find_package(Boost COMPONENTS python thread REQUIRED)
 include_directories(${Boost_INCLUDE_DIRS})
 link_directories(${Boost_LIBRARY_DIRS})
 
-# pull BLAS and LAPACK (Fortran required by LAPACK)
-enable_language(Fortran)
+# -----------
+# pull BLAS and LAPACK
+
+# Things are easy if we have fortran:
+workaround_9220(Fortran OPTIONAL)
+IF (CMAKE_Fortran_COMPILER_WORKS)
 find_package(BLAS)
 find_package(LAPACK)
+ELSE()
+# otherwise just assume there are lapack and blas libraries out there somewhere:
+set(LAPACK_LIBRARIES lapack blas)
+ENDIF()
 
 # setup our compiler flags:
 if(CMAKE_COMPILER_IS_GNUCXX)

Code/Numerics/Alignment/CMakeLists.txt

@@ -1,5 +1,5 @@
 rdkit_library(Alignment AlignPoints.cpp LINK_LIBRARIES RDGeometry)
 
-rdkit_test(alignment testAlignment.cpp LINK_LIBRARIES Alignment)
+rdkit_test(testAlignment testAlignment.cpp LINK_LIBRARIES Alignment)
 
 add_subdirectory(Wrap)

Code/Numerics/CMakeLists.txt

@@ -2,4 +2,4 @@ add_subdirectory(Alignment)
 add_subdirectory(EigenSolvers)
 add_subdirectory(Optimizer)
 
-rdkit_test(matrices testMatrices.cpp LINK_LIBRARIES RDGeneral)
+rdkit_test(testMatrices testMatrices.cpp LINK_LIBRARIES RDGeneral)

Code/cmake/Modules/RDKitUtils.cmake

@@ -44,3 +44,65 @@ macro(rdkit_test)
   add_test(${RDKTEST_NAME} ${EXECUTABLE_OUTPUT_PATH}/${RDKTEST_NAME})
 endmacro(rdkit_test)
 
+# ---------------
+# downloaded from: http://www.cmake.org/Bug/file_download.php?file_id=2421&type=bug
+# This additional function definition is needed to provide a workaround for
+# CMake bug 9220.
+
+# On debian testing (cmake 2.6.2), I get return code zero when calling 
+# cmake the first time, but cmake crashes when running a second time
+# as follows:
+#
+#  -- The Fortran compiler identification is unknown
+#  CMake Error at /usr/share/cmake-2.6/Modules/CMakeFortranInformation.cmake:7 (GET_FILENAME_COMPONENT):
+#    get_filename_component called with incorrect number of arguments
+#  Call Stack (most recent call first):
+#    CMakeLists.txt:3 (enable_language)
+#
+# My workaround is to invoke cmake twice.  If both return codes are zero, 
+# it is safe to invoke ENABLE_LANGUAGE(Fortran OPTIONAL)
+
+function(workaround_9220 language language_works)
+  #message("DEBUG: language = ${language}")
+  set(text
+    "project(test NONE)
+cmake_minimum_required(VERSION 2.6.0)
+enable_language(${language} OPTIONAL)
+"
+    )
+  file(REMOVE_RECURSE ${CMAKE_BINARY_DIR}/language_tests/${language})
+  file(MAKE_DIRECTORY ${CMAKE_BINARY_DIR}/language_tests/${language})
+  file(WRITE ${CMAKE_BINARY_DIR}/language_tests/${language}/CMakeLists.txt
+    ${text})
+  execute_process(
+    COMMAND ${CMAKE_COMMAND} .
+    WORKING_DIRECTORY ${CMAKE_BINARY_DIR}/language_tests/${language}
+    RESULT_VARIABLE return_code
+    OUTPUT_QUIET
+    ERROR_QUIET
+    )
+
+  if(return_code EQUAL 0)
+    # Second run
+    execute_process (
+      COMMAND ${CMAKE_COMMAND} .
+      WORKING_DIRECTORY ${CMAKE_BINARY_DIR}/language_tests/${language}
+      RESULT_VARIABLE return_code
+      OUTPUT_QUIET
+      ERROR_QUIET
+      )
+    if(return_code EQUAL 0)
+      set(${language_works} ON PARENT_SCOPE)
+    else(return_code EQUAL 0)
+      set(${language_works} OFF PARENT_SCOPE)
+    endif(return_code EQUAL 0)
+  else(return_code EQUAL 0)
+    set(${language_works} OFF PARENT_SCOPE)
+  endif(return_code EQUAL 0)
+endfunction(workaround_9220)
+
+# Temporary tests of the above function.
+#workaround_9220(CXX CXX_language_works)
+#message("CXX_language_works = ${CXX_language_works}")
+#workaround_9220(CXXp CXXp_language_works)
+#message("CXXp_language_works = ${CXXp_language_works}")