Merge pull request #170 from MolSSI-MDI/cmake

Improve CMake Options

CMakeLists.txt

@@ -1,16 +1,44 @@
-cmake_minimum_required(VERSION 3.7)
+cmake_minimum_required(VERSION 3.10)
 
-option(language "language")
-option(libtype "libtype")
-option(mpi "on or off" ON)
-option(python_package "on or off" OFF)
-option(plugins "on or off" ON)
-option(python_plugins "on or off" ${plugins})
-option(python_version "python version number" OFF)
-option(test_codes "on or off" OFF)
-option(test_drivers "on or off" ${test_codes})
-option(test_engines "on or off" ${test_codes})
-option(debug "on or off" OFF)
+# Options
+option(MDI_CXX "Build with CXX suport - ON (DEFAULT) or OFF)" ON)
+option(MDI_Fortran "Build with Fortran support - ON (DEFAULT) or OFF)" ON)
+option(MDI_Python "Build with Python support - ON (DEFAULT) or OFF)" ON)
+option(MDI_Python_PACKAGE "Flag to install MDI as a Python package" OFF)
+option(MDI_PLUGINS "Flag to compile with support for MDI plugins" ON)
+option(MDI_Python_PLUGINS "Flag to compile with support for MDI Python plugins" ${MDI_PLUGINS})
+option(MDI_TEST_CODES "Flag to compile MDI test codes" OFF)
+option(MDI_TEST_DRIVERS "Flag to compile MDI test drivers" ${MDI_TEST_CODES})
+option(MDI_TEST_ENGINES "Flag to compile MDI test engines" ${MDI_TEST_CODES})
+option(MDI_DEBUG "Flag to compile MDI in debug mode" OFF)
+set(MDI_USE_MPI "" CACHE STRING "Flag to use MPI - ON or OFF")
+set(MDI_Python_VERSION "OFF" CACHE STRING "When linking against a build of Python, MDI will attempt to link against a build of Python corresponding to this version number.")
+
+# Deprecated Options
+option(language "Deprecated; use MDI_CXX, MDI_Fortran, and/or MDI_Python instead.")
+option(libtype "Deprecated; use BUILD_SHARED_LIBS instead.")
+set(mpi ${MDI_USE_MPI} CACHE STRING "Deprecated; use MDI_USE_MPI instead.")
+set(python_package ${MDI_Python_PACKAGE} CACHE STRING "Deprecated; use MDI_Python_PACKAGE instead.")
+set(plugins "" CACHE STRING "Deprecated; use MDI_PLUGINS instead.")
+if ( plugins STREQUAL "" )
+   set(plugins ${MDI_PLUGINS})
+else()
+   set(MDI_PLUGINS ${plugins})
+   set(MDI_Python_PLUGINS ${plugins})
+endif()
+set(python_plugins ${MDI_Python_PLUGINS} CACHE STRING "Deprecated; use MDI_Python_PLUGINS instead.")
+set(python_version ${MDI_Python_VERSION} CACHE STRING "Deprecated; use MDI_Python_VERSION instead.")
+set(test_codes "" CACHE STRING "Deprecated; use MDI_TEST_CODES instead.")
+if( test_codes STREQUAL "" )
+   set(test_codes ${MDI_TEST_CODES})
+else()
+   set(MDI_TEST_CODES ${test_codes})
+   set(MDI_TEST_DRIVERS ${test_codes})
+   set(MDI_TEST_ENGINES ${test_codes})
+endif()
+set(test_drivers ${MDI_TEST_DRIVERS} CACHE STRING "Deprecated; use MDI_TEST_DRIVERS instead.")
+set(test_engines ${MDI_TEST_ENGINES} CACHE STRING "Deprecated; use MDI_TEST_ENGINES instead.")
+set(debug ${MDI_DEBUG} CACHE STRING "Deprecated; use MDI_DEBUG instead.")
 
 set(use_C "")
 set(use_CXX "")
@@ -20,9 +48,15 @@ set(use_Python "")
 if( NOT language )
    # By default, compile for all languages
    set(use_C "C")
-   set(use_CXX "CXX")
-   set(use_Fortran "Fortran")
-   set(use_Python "Python")
+   if( MDI_CXX )
+      set(use_CXX "CXX")
+   endif()
+   if( MDI_Fortran )
+      set(use_Fortran "Fortran")
+   endif()
+   if( MDI_Python )
+      set(use_Python "Python")
+   endif()
 elseif( language STREQUAL "C" )
    set(use_C "C")
 elseif( language STREQUAL "CXX" )
@@ -39,10 +73,22 @@ else()
 endif()
 
 project(mdi
-        VERSION 1.4.30
+        VERSION 1.4.31
         LANGUAGES ${use_C} ${use_CXX} ${use_Fortran})
 
-# set a definition to enable MDI debug mode
+# Check for MPI
+if ( mpi STREQUAL "ON" )
+   find_package(MPI REQUIRED)
+elseif( NOT ( mpi STREQUAL "OFF") )
+   find_package(MPI)
+   if ( MPI_FOUND )
+      set( mpi "ON" )
+   else()
+      set( mpi "OFF" )
+   endif()
+endif()
+
+# Set a definition to enable MDI debug mode
 if( ${debug} )
   add_definitions(-D_MDI_DEBUG=1)
 else()

MDI_Library/CMakeLists.txt

@@ -4,45 +4,22 @@ macro(string_to_list _VAR _STR)
     STRING(REPLACE " " ";" ${_VAR} "${_STR}")
 endmacro(string_to_list _VAR _STR)
 
-
-################################# MDI Project ##################################
 include(GNUInstallDirs)
 include(CMakePackageConfigHelpers)
 
-
-#check for MPI
-if ( NOT ( mpi STREQUAL "OFF") )
-   find_package(MPI)
-endif()
-if( NOT MPI_FOUND )
-   if( mpi STREQUAL "ON" )
-      message( WARNING "Could not find MPI.  Compiling without MPI support." )
-   endif()
-   set(mpi "OFF")
-endif()
-
-#confirm that "language" is a valid value
+# Confirm that "language" is a valid value
 if( language AND (NOT language STREQUAL "C") AND (NOT language STREQUAL "CXX") AND (NOT language STREQUAL "Fortran") AND (NOT language STREQUAL "Python") )
    message( FATAL_ERROR "Value of language not recognized. Accepted values are: C; CXX; Fortran; Python." )
 endif()
 
-#determine whether this is a SHARED or STATIC build
-if( NOT libtype )
-   set(libtype "SHARED")
-elseif ( (NOT libtype STREQUAL "STATIC") AND 
-         (NOT libtype STREQUAL "SHARED") )
-   message( FATAL_ERROR "Value of libtype not recognized. Accepted values are: SHARED; STATIC; PACKAGE." )
-endif()
-
 # Set flag for whether to build plugins
 if( ${plugins} )
   add_definitions(-D_MDI_PLUGIN_SUPPORT=1)
 else()
   add_definitions(-D_MDI_PLUGIN_SUPPORT=0)
 endif()
 
-
-#construct the list of source files
+# Construct the list of source files
 list(APPEND sources "mdi.c")
 list(APPEND sources "mdi_global.h")
 list(APPEND sources "mdi_global.c")
@@ -79,18 +56,41 @@ if( (NOT language) OR (language STREQUAL "Fortran") )
    list(APPEND sources "mdi_f90.F90")
 endif()
 
-add_library(mdi ${libtype}
-                ${sources})
+# Set whether MDI should be built as a shared or static library
+if ( libtype STREQUAL "SHARED" )
+   set(BUILD_SHARED_LIBS ON)
+endif()
+if ( (NOT BUILD_SHARED_LIBS) AND MDI_Python )
+   message( WARNING "Python support requires that the MDI Library be compiled as a shared library.  Turning on shared library build.  To disable this warning, set -DBUILD_SHARED_LIBS=ON or -DMDI_Python=OFF." )
+   set(BUILD_SHARED_LIBS ON)
+endif()
+if (BUILD_SHARED_LIBS)
+   set(mdi_STATIC_BUILD OFF)
+else()
+   set(mdi_STATIC_BUILD ON)
+endif()
+
+# Add the MDI target
+add_library(mdi)
+
+# Add the source files
+target_sources(mdi
+        PRIVATE ${sources})
+
+# If this is a static library, should compile with position independent code
+if ( mdi_STATIC_BUILD )
+  set_target_properties(mdi PROPERTIES POSITION_INDEPENDENT_CODE ON)
+endif()
 
-# set API version of MDI Library
+# Set API version of MDI Library
 set_target_properties(mdi PROPERTIES SOVERSION 1)  # bump whenever interface has changes or removals
 
-#if this is a Windows build, link to ws2_32
+# If this is a Windows build, link to ws2_32
 if(WIN32)
   target_link_libraries(mdi wsock32 ws2_32)
 endif()
 
-#link to libdl, which is used for the plugin system
+# Link to libdl, which is used for the plugin system
 if(NOT WIN32)
   target_link_libraries(mdi dl)
 endif()
@@ -102,10 +102,10 @@ else()
   add_definitions(-DMDI_WINDOWS=0)
 endif()
 
-#include and link to MPI
+# Include and link to MPI
 if( mpi STREQUAL "ON" )
 
-   #include MPI
+   # Include MPI
    string_to_list(MPI_C_COMPILE_OPTIONS   "${MPI_C_COMPILE_FLAGS}")
    string_to_list(MPI_C_LINK_OPTIONS      "${MPI_C_LINK_FLAGS}")
 
@@ -120,7 +120,7 @@ elseif( mpi STREQUAL "OFF" )
 
 else()
 
-   message( FATAL_ERROR "Value of mpi not recognized. Accepted values are: ON; OFF." )
+   message( FATAL_ERROR "Value of mpi (${mpi}) not recognized. Accepted values are: ON; OFF." )
 
 endif()
 
@@ -136,7 +136,7 @@ else()
 
 endif()
 
-#do any Python-specific work
+# Do any Python-specific work
 if( (NOT language) OR (language STREQUAL "Python") )
 
    if( libtype STREQUAL "STATIC" )
@@ -221,7 +221,6 @@ install(TARGETS mdi
         ARCHIVE DESTINATION ${MDI_INSTALL_LIBDIR})
 
 # Provide support for packages
-
 set(CMAKECONFIG_INSTALL_DIR "share/cmake/${PN}")
 configure_package_config_file("${CMAKE_CURRENT_SOURCE_DIR}/../cmake/${PN}Config.cmake.in"
                               "${CMAKE_CURRENT_BINARY_DIR}/${PN}Config.cmake"

MDI_Library/mdi_global.h

@@ -32,7 +32,7 @@
 // MDI version numbers
 #define MDI_MAJOR_VERSION_ 1
 #define MDI_MINOR_VERSION_ 4
-#define MDI_PATCH_VERSION_ 30
+#define MDI_PATCH_VERSION_ 31
 
 // length of an MDI command in characters
 #define MDI_COMMAND_LENGTH_ 256

tests/MDI_Test_Codes/CMakeLists.txt

@@ -1,20 +1,9 @@
-# Check for MPI
-
-if ( NOT ( mpi STREQUAL "OFF") )
-   find_package(MPI)
-endif()
-if( NOT MPI_FOUND )
-   if( mpi STREQUAL "ON" )
-      message( WARNING "Could not find MPI.  Compiling without MPI support." )
-   endif()
+# Include MPI stubs, if needed
+if( mpi STREQUAL "OFF" )
    configure_file(${CMAKE_CURRENT_SOURCE_DIR}/STUBS_MPI/mpi.h ${CMAKE_CURRENT_BINARY_DIR}/STUBS_MPI/mpi.h COPYONLY)
-   set(mpi "OFF")
 endif()
 
-
-
 # Macro to link target to MPI
-
 macro(link_against_mpi _TAR)
    if( mpi STREQUAL "ON" )