cmake src_CSA default -std=legacy

[unres.git] / CMakeLists.txt

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 3a2d1d7..689bb9c 100644 (file)
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -20,8 +20,10 @@ MACRO (TODAY RESULT)
         EXECUTE_PROCESS(COMMAND "date" "/T" OUTPUT_VARIABLE ${RESULT})
         string(REGEX REPLACE "(..)/(..)/..(..).*" "\\3\\2\\1" ${RESULT} ${${RESULT}})
     ELSEIF(UNIX)
-        EXECUTE_PROCESS(COMMAND "date" OUTPUT_VARIABLE ${RESULT})
-        string(REGEX REPLACE "(...) (...) (.+) (..:..:..) (.+) (....).*" "\\1 \\2 \\3 \\4 \\5 \\6" ${RESULT} ${${RESULT}})
+        EXECUTE_PROCESS(COMMAND "date" "+'%D %R:%S'" OUTPUT_VARIABLE ${RESULT})
+        string(REGEX REPLACE "'" ""  ${RESULT} ${${RESULT}})
+        string (STRIP ${${RESULT}} ${RESULT})
+#        string(TIMESTAMP ${RESULT})
     ELSE (WIN32)
         MESSAGE(SEND_ERROR "date not implemented")
         SET(${RESULT} 000000)
@@ -63,6 +65,13 @@ MACRO (CINFO_FORMAT FN VN VD)
        file(APPEND ${FN} "       write(iout,*)'${STR}'\n")
     endif(SUMA GREATER 50)
 ENDMACRO (CINFO_FORMAT)
+
+# Some MPI wrappers pass double include paths
+# This macro fixes broken by semicolon occurence in path
+MACRO (FIX_DBL_INCLUDE RESULT)
+  string(REPLACE ";" " -I" ${RESULT} "${${RESULT}}")
+ENDMACRO (FIX_DBL_INCLUDE)
+
 #======================================
 # CTest stuff
 #======================================A
@@ -86,8 +95,8 @@ SET(CMAKE_Fortran_COMPILE_OBJECT "<CMAKE_Fortran_COMPILER>  ${CMAKE_START_TEMP_F
    
 # make sure that the default is a RELEASE
 if (NOT CMAKE_BUILD_TYPE)
-  set (CMAKE_BUILD_TYPE "Release" CACHE STRING "Choose the type of build, options are: None Debug Release." FORCE)
-  set_property(CACHE CMAKE_BUILD_TYPE PROPERTY STRINGS "None" "Debug" "Release" )
+  set (CMAKE_BUILD_TYPE "Release" CACHE STRING "Choose the type of build, options are: None Debug Release RelWithDebInfo." FORCE)
+  set_property(CACHE CMAKE_BUILD_TYPE PROPERTY STRINGS "None" "Debug" "Release" "RelWithDebInfo")
 endif (NOT CMAKE_BUILD_TYPE)
 
 
@@ -99,19 +108,23 @@ else()
   set( CMAKE_VERBOSE_MAKEFILE 1 )
 endif (CMAKE_BUILD_TYPE STREQUAL "Release")
 
+# Default Install Path
+
+set(CMAKE_INSTALL_PREFIX "${CMAKE_SOURCE_DIR}/bin" CACHE PATH "Binary install directory " FORCE)
+
 #=======================================  
 # Set the varous build variables 
 #=======================================
 
 # Set force field
 if (NOT UNRES_FF)
-  set(UNRES_MD_FF "GAB" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" )
+  set(UNRES_MD_FF "E0LL2Y" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" )
   set_property(CACHE UNRES_MD_FF PROPERTY STRINGS "GAB" "E0LL2Y")
 endif (NOT UNRES_FF)
 
 # Set CSA version force field
 if (NOT UNRES_CSA_FF)
-  set(UNRES_CSA_FF "4P" CACHE STRING "Choose the CSA version force field, options are: CASP3 ALPHA BETA ALPHABETA CASP5 3P 4P" )
+  set(UNRES_CSA_FF "E0LL2Y" CACHE STRING "Choose the CSA version force field, options are: CASP3 ALPHA BETA ALPHABETA CASP5 3P 4P" )
   set_property(CACHE UNRES_CSA_FF PROPERTY STRINGS "CASP3" "ALPHA" "BETA" "ALPHABETA" "CASP5" "3P" "4P" ) 
 endif (NOT UNRES_CSA_FF)
 
@@ -122,6 +135,7 @@ option(UNRES_WITH_MPI "Choose whether or not to use MPI library" ON )
 # Piasek cluster devel stuff
 option(UNRES_NA_MMCE "Kompilujemy na mmmce?" OFF )
 
+option(UNRES_DFA "Choose whether or not to use DFA" OFF )
 
 #=================================
 # MPI stuff
@@ -132,6 +146,7 @@ find_package(MPI QUIET)
 
 if (MPI_Fortran_FOUND)
   message("MPI found")
+  FIX_DBL_INCLUDE(MPI_Fortran_INCLUDE_PATH)
 else()
   message("MPI not found - disabling MPI compile flags ")
   set ( UNRES_WITH_MPI "OFF")
@@ -156,13 +171,6 @@ message("Detected ${architektura}-bit architecture")
 # used by unres/src_MIN
 find_package (Threads)
 
-
-
-#=======================================
-#  Create diractories for build targets
-#=======================================
-#execute_process(COMMAND ${CMAKE_COMMAND} -E make_directory ${CMAKE_BINARY_DIR}/bin/unres/MD )
-
 #=======================================
 # Add source files
 #=======================================     
@@ -179,7 +187,6 @@ if(UNRES_NA_MMCE)
       add_subdirectory(source/unres/src_MD)
       add_subdirectory(source/unres/src_MD-M)
       add_subdirectory(source/unres/src_CSA)
-      add_subdirectory(source/unres/src_CSA_DiL)
       add_subdirectory(source/cluster/wham/src)
       add_subdirectory(source/cluster/wham/src-M)
     endif (Fortran_COMPILER_NAME STREQUAL "ifort")
@@ -192,14 +199,12 @@ if(UNRES_NA_MMCE)
   add_subdirectory(source/cluster/unres/src)
   add_subdirectory(source/xdrfpdb/src)
   add_subdirectory(source/xdrfpdb/src-M)
-  add_subdirectory(source/maxlik/src_CSA)
 else()
 
   add_subdirectory(source/unres/src_MD)
   if(UNRES_WITH_MPI)
     add_subdirectory(source/unres/src_MD-M)
     add_subdirectory(source/unres/src_CSA)
-    add_subdirectory(source/unres/src_CSA_DiL)
     add_subdirectory(source/wham/src)
     add_subdirectory(source/wham/src-M)
     add_subdirectory(source/cluster/wham/src)
@@ -209,6 +214,6 @@ else()
   add_subdirectory(source/cluster/unres/src)
   add_subdirectory(source/xdrfpdb/src)
   add_subdirectory(source/xdrfpdb/src-M)
-  add_subdirectory(source/maxlik/src_CSA)
+  add_subdirectory(source/unres-dock)
 endif(UNRES_NA_MMCE)