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[unres.git] / source / unres / src_MD-M / CMakeLists.txt

diff --git a/source/unres/src_MD-M/CMakeLists.txt b/source/unres/src_MD-M/CMakeLists.txt
index b618449..89c43a6 100644 (file)
--- a/source/unres/src_MD-M/CMakeLists.txt
+++ b/source/unres/src_MD-M/CMakeLists.txt
@@ -96,9 +96,9 @@ set(UNRES_MDM_SRC0
 )
 
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
-  set(UNRES_MDM_SRC0 "${UNRES_MDM_SRC0} prng.f") 
-else
-  set(UNRES_MDM_SRC0 "${UNRES_MDM_SRC0} prng_32.F")
+  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")
 
 
@@ -157,7 +157,8 @@ set(UNRES_MDM_PP_SRC
        thread.F 
        timing.F
        together.F
-       unres.F 
+       unres.F
+       proc_proc.c
 ) 
 
 
@@ -202,7 +203,7 @@ set_property(SOURCE ${UNRES_MDM_SRC3} PROPERTY COMPILE_FLAGS ${FFLAGS3} )
 #=========================================
 if(UNRES_MD_FF STREQUAL "GAB" )
   # set preprocesor flags   
-  set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
+  set(CPPFLAGS "PROCOR -DUNRES -DISNAN -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB")
 
 #=========================================
 #  Settings for E0LL2Y force field
@@ -256,7 +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" )  
 
 
 #========================================
@@ -271,25 +272,34 @@ 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
+FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
+"C CMake generated file
+       subroutine cinfo
+       include 'COMMON.IOUNITS'
+       write(iout,*)'++++ Compile info ++++'
+       write(iout,*)'Version ${UNRES_MAJOR}.${UNRES_MINOR} build ${UNRES_PATCH}'
+       write(iout,*)'Compiled ${DATE}'
+       write(iout,*)'Compiled by $ENV{USER}@$ENV{HOST}'
+       write(iout,*)'OS name: ${CMAKE_SYSTEM_NAME}'
+       write(iout,*)'OS release: ${CMAKE_SYSTEM}'
+       write(iout,*)'FC: ${CMAKE_Fortran_COMPILER}'
+       write(iout,*)'MD Force field: ${UNRES_MD_FF}'
+       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