X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCMakeLists.txt;h=63137a50567bb0b8152d8eafa80a99207936e3e5;hb=8b15d09868340b645cea38901c5c7109bd2dc6f9;hp=e00a115ebad887c58dfb8cebdee378ba6bdf7c4e;hpb=43fd38cadfbe4659305fdd450cb851601dd6654c;p=unres.git

diff --git a/source/unres/src_MD-M/CMakeLists.txt b/source/unres/src_MD-M/CMakeLists.txt
index e00a115..63137a5 100644
--- a/source/unres/src_MD-M/CMakeLists.txt
+++ b/source/unres/src_MD-M/CMakeLists.txt
@@ -7,7 +7,7 @@ enable_language (Fortran)
 #================================
 # build the xdrf library 
 #================================ 
-add_subdirectory(xdrf)
+#add_subdirectory(xdrf)
 
 #================================
 # Set source file lists
@@ -71,7 +71,6 @@ set(UNRES_MDM_SRC0
 	permut.F
 	pinorm.f 
 	printmat.f 
-	prng_32.F 
 	q_measure.F 
 	ran.f
 	randgens.f 
@@ -96,6 +95,15 @@ set(UNRES_MDM_SRC0
 	unres.F
 )
 
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+  set(UNRES_MDM_SRC0 ${UNRES_MDM_SRC0} prng.f ) 
+elseif(Fortran_COMPILER_NAME STREQUAL "mpif90")
+  set(UNRES_MDM_SRC0 ${UNRES_MDM_SRC0} prng.f )
+else()
+  set(UNRES_MDM_SRC0 ${UNRES_MDM_SRC0} prng_32.F )
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
+
 set(UNRES_MDM_SRC3 energy_p_new_barrier.F energy_p_new-sep_barrier.F gradient_p.F )
 
 set(UNRES_MDM_PP_SRC
@@ -133,7 +141,6 @@ set(UNRES_MDM_PP_SRC
 	newconf.f 
 	parmread.F 
 	permut.F
-	prng_32.F 
 	q_measure1.F 
 	q_measure3.F 
 	q_measure.F
@@ -152,10 +159,16 @@ set(UNRES_MDM_PP_SRC
 	thread.F 
 	timing.F
 	together.F
-	unres.F 
+	unres.F
+	proc_proc.c
 ) 
 
 
+if(NOT Fortran_COMPILER_NAME STREQUAL "ifort")
+  set(UNRES_MDM_PP_SRC "${UNRES_MDM_PP_SRC} prng_32.F") 
+endif(NOT Fortran_COMPILER_NAME STREQUAL "ifort")
+
+
 #================================================
 # Set comipiler flags for different sourcefiles  
 #================================================
@@ -163,14 +176,12 @@ if (Fortran_COMPILER_NAME STREQUAL "ifort")
   set(FFLAGS0 "-ip -w" ) 
   set(FFLAGS1 "-w -g -d2 -CA -CB" ) 
   set(FFLAGS2 "-w -g -00 ")
-  #set(FFLAGS3 "-c -w -O3 -ipo -ipo_obj -opt_report" )
   set(FFLAGS3 "-w -ipo " )
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
-  set(FFLAGS0 "-I. " ) 
-  set(FFLAGS1 "-g -I. " ) 
-  set(FFLAGS2 "-I. ")
-  #set(FFLAGS3 "-c -w -O3 -ipo -ipo_obj -opt_report" )
-  set(FFLAGS3 "-I. " )
+  set(FFLAGS0 "-std=legacy -I. " ) 
+  set(FFLAGS1 "-std=legacy -g -I. " ) 
+  set(FFLAGS2 "-std=legacy -I. ")
+  set(FFLAGS3 "-std=legacy -I. " )
 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 
 
@@ -190,36 +201,46 @@ set_property(SOURCE ${UNRES_MDM_SRC3} PROPERTY COMPILE_FLAGS ${FFLAGS3} )
 #=========================================
 # Settings for GAB force field 
 #=========================================
-if(UNRES_FF STREQUAL "GAB" )
+if(UNRES_MD_FF STREQUAL "GAB" )
   # set preprocesor flags   
-  set(CPPFLAGS "PROCOR -DLINUX -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
-
-  if (Fortran_COMPILER_NAME STREQUAL "ifort")
-    # Add ifort preprocessor flags
-    set(CPPFLAGS "${CPPFLAGS} -DPGI") 
-  elseif (Fortran_COMPILER_NAME STREQUAL "f95")
-    # Add gfortran flags
-    set(CPPFLAGS "${CPPFLAGS} -DG77") 
-  elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
-    # Add gfortran flags
-    set(CPPFLAGS "${CPPFLAGS} -DG77") 
-  endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+  set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
 
 #=========================================
 #  Settings for E0LL2Y force field
 #=========================================
-elseif(UNRES_FF STREQUAL "E0LL2Y")
+elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
   # set preprocesor flags   
-  set(CPPFLAGS "PROCOR -DLINUX -DUNRES -DISNAN -DSPLITELE -DLANG0" )
+  set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0" )
+endif(UNRES_MD_FF STREQUAL "GAB")
+
+
+#=========================================
+# System specific flags
+#=========================================
+if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
+  set(CPPFLAGS "${CPPFLAGS} -DLINUX") 
+endif(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
+
+
+#=========================================
+# Compiler specific flags
+#=========================================
 
-  if (Fortran_COMPILER_NAME STREQUAL "ifort")
-    # Add ifort preprocessor flags
-    set(CPPFLAGS "${CPPFLAGS} -DPGI")
-  endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+  # Add ifort preprocessor flags
+  set(CPPFLAGS "${CPPFLAGS} -DPGI") 
+elseif (Fortran_COMPILER_NAME STREQUAL "f95")
+  # Add new gfortran flags
+  set(CPPFLAGS "${CPPFLAGS} -DG77") 
+elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
+  # Add old gfortran flags
+  set(CPPFLAGS "${CPPFLAGS} -DG77") 
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 
-endif(UNRES_FF STREQUAL "GAB")
 
+#=========================================
 # Add MPI preprocessor flags
+#=========================================
 if (UNRES_WITH_MPI)
   set(CPPFLAGS "${CPPFLAGS} -DMP -DMPI") 
 endif(UNRES_WITH_MPI)
@@ -236,7 +257,7 @@ endif (architektura STREQUAL "64")
 set_property(SOURCE ${UNRES_MDM_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
 
 # Apply preprocesor flags to proc_proc.c
-set_property(SOURCE proc_proc.c APPEND PROPERTY COMPILE_DEFINITIONS "SGI" )  
+set_property(SOURCE proc_proc.c PROPERTY COMPILE_DEFINITIONS "SGI" )  
 
 
 #========================================
@@ -251,25 +272,41 @@ else(UNRES_WITH_MPI)
 endif(UNRES_WITH_MPI)  
 
 #=========================================
-# cinfo.f stupid workaround for cmake
-#  - shame on me ]:)
+# cinfo.f workaround for cmake
 #=========================================
-set_property(SOURCE compinfo.c PROPERTY CMAKE_C_FLAGS "-c" )
-add_executable(compinfo-mdm compinfo.c)
-set_target_properties(compinfo-mdm PROPERTIES OUTPUT_NAME compinfo)
-
-set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
-add_custom_command(OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f 
-	COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/cinfo.f ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
-	COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/COMMON.IOUNITS ${CMAKE_CURRENT_BINARY_DIR}/COMMON.IOUNITS 
-	COMMAND ${CMAKE_CURRENT_BINARY_DIR}/compinfo | true	
-	DEPENDS compinfo-mdm )
-set_property(SOURCE ${UNRES_CINFO_DIR}/cinfo.f PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+# get the current date  
+TODAY(DATE)
+# generate cinfo.f
+set(CINFO "${CMAKE_CURRENT_BINARY_DIR}/cinfo.f")
+FILE(WRITE ${CINFO}
+"C CMake generated file
+       subroutine cinfo
+       include 'COMMON.IOUNITS'
+       write(iout,*)'++++ Compile info ++++'
+       write(iout,*)'Version ${UNRES_MAJOR}.${UNRES_MINOR} build ${UNRES_PATCH}'
+")
+
+CINFO_FORMAT(${CINFO} "Compiled" "${DATE}" )
+CINFO_FORMAT(${CINFO} "Compiled by" "$ENV{USER}@$ENV{HOST}" )
+CINFO_FORMAT(${CINFO} "OS name:" "${CMAKE_SYSTEM_NAME}" )
+CINFO_FORMAT(${CINFO} "OS release:" "${CMAKE_SYSTEM}" )
+CINFO_FORMAT(${CINFO} "Fortran Compiler:" "${CMAKE_Fortran_COMPILER}" )
+CINFO_FORMAT(${CINFO} "MD Force field:" "${UNRES_MD_FF}" )
+CINFO_FORMAT(${CINFO} "CPPFLAGS =" "${CPPFLAGS}")
+
+FILE(APPEND ${CINFO} 
+"       write(iout,*)'++++ End of compile info ++++'  
+       return 
+       end ")
+
+
+# add include path
+set_property(SOURCE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f PROPERTY COMPILE_FLAGS "${FFLAGS0} -I${CMAKE_CURRENT_SOURCE_DIR}")
 
 #=========================================
 # Set full unres MD-M sources
 #=========================================
-set(UNRES_MDM_SRCS ${UNRES_MDM_SRC0} ${UNRES_MDM_SRC3} ${UNRES_CINFO_DIR}/cinfo.f proc_proc.c )
+set(UNRES_MDM_SRCS ${UNRES_MDM_SRC0} ${UNRES_MDM_SRC3} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f proc_proc.c )
 
 #=========================================
 # Build the binary
@@ -289,7 +326,7 @@ if(UNRES_WITH_MPI)
 endif(UNRES_WITH_MPI)
 # link libxdrf.a 
 #message("UNRES_XDRFLIB=${UNRES_XDRFLIB}")
-target_link_libraries( UNRES_BIN-MD-M xdrf-MD-M )
+target_link_libraries( UNRES_BIN-MD-M xdrf )
 
 #=========================================
 # TESTS