X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2FCMakeLists.txt;h=04fb4bba1ce5f5832dd67ffb68e7f428a9fbb297;hb=66c6ec6f8fcb5ae3ff40e52757f511c57dad02c9;hp=8ee5798c70cacec4502c0ac8e4452ce5f2b7ea99;hpb=b040214d28c2c5aea0971f69b6866f1a42c84e69;p=unres.git

diff --git a/source/unres/src_CSA_DiL/CMakeLists.txt b/source/unres/src_CSA_DiL/CMakeLists.txt
index 8ee5798..04fb4bb 100644
--- a/source/unres/src_CSA_DiL/CMakeLists.txt
+++ b/source/unres/src_CSA_DiL/CMakeLists.txt
@@ -1,5 +1,5 @@
 #
-# CMake project file for UNRES CSA version
+# CMake project file for UNRES CSA DiL version
 # 
 
 enable_language (Fortran)
@@ -7,7 +7,7 @@ enable_language (Fortran)
 #================================
 # Set source file lists
 #================================
-set(UNRES_CSA_SRC0 
+set(UNRES_CSA_DiL_SRC0 
 	arcos.f
 	banach.f
 	bank.F
@@ -52,6 +52,7 @@ set(UNRES_CSA_SRC0
 	ran.f
 	readpdb.F
 	readrtns_csa.F
+	refsys.f
 	rescode.f
 	rmdd.f
 	rmsd.F
@@ -65,9 +66,9 @@ set(UNRES_CSA_SRC0
 	unres_csa.F
 )
 
-set(UNRES_CSA_SRC3 energy_p_new_barrier.F gradient_p.F )
+set(UNRES_CSA_DiL_SRC3 energy_p_new_barrier.F gradient_p.F )
 
-set(UNRES_CSA_PP_SRC
+set(UNRES_CSA_DiL_PP_SRC
 	bank.F
 	cartder.F
 	chainbuild.F
@@ -109,11 +110,10 @@ if (Fortran_COMPILER_NAME STREQUAL "ifort")
   #set(FFLAGS3 "-c -w -O3 -ipo -ipo_obj -opt_report" )
   set(FFLAGS3 "-c -w -ipo " )
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
-  set(FFLAGS0 "-cpp -c -I. ") 
-  set(FFLAGS1 "-cpp -c -g -I. " ) 
-  set(FFLAGS2 "-cpp -c -I. ")
-  #set(FFLAGS3 "-c -w -O3 -ipo -ipo_obj -opt_report" )
-  set(FFLAGS3 "-cpp -c -I. " )
+  set(FFLAGS0 "-std=legacy -cpp -c -I. ") 
+  set(FFLAGS1 "-std=legacy -cpp -c -g -I. " ) 
+  set(FFLAGS2 "-std=legacy -cpp -c -I. ")
+  set(FFLAGS3 "-std=legacy -cpp -c -I. " )
 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 
 
@@ -125,10 +125,10 @@ if(UNRES_WITH_MPI)
   set(FFLAGS3 "${FFLAGS3} -I${MPIF_INCLUDE_DIRECTORIES}")
 endif(UNRES_WITH_MPI)
 
-set_property(SOURCE ${UNRES_CSA_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
-set_property(SOURCE ${UNRES_CSA_SRC1} PROPERTY COMPILE_FLAGS ${FFLAGS1} )
-set_property(SOURCE ${UNRES_CSA_SRC2} PROPERTY COMPILE_FLAGS ${FFLAGS2} )
-set_property(SOURCE ${UNRES_CSA_SRC3} PROPERTY COMPILE_FLAGS ${FFLAGS3} )
+set_property(SOURCE ${UNRES_CSA_DiL_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+set_property(SOURCE ${UNRES_CSA_DiL_SRC1} PROPERTY COMPILE_FLAGS ${FFLAGS1} )
+set_property(SOURCE ${UNRES_CSA_DiL_SRC2} PROPERTY COMPILE_FLAGS ${FFLAGS2} )
+set_property(SOURCE ${UNRES_CSA_DiL_SRC3} PROPERTY COMPILE_FLAGS ${FFLAGS3} )
 
 #=========================================
 # Settings for CSA force fields 
@@ -178,49 +178,56 @@ endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 set(CPPFLAGS "${CPPFLAGS} -DMP -DMPI") 
 
 # Apply preprocesor flags to *.F files
-set_property(SOURCE ${UNRES_CSA_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
+set_property(SOURCE ${UNRES_CSA_DiL_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
 
 
 #========================================
 #  Setting binary name
 #========================================
-set(UNRES_BIN "unresCSA_${Fortran_COMPILER_NAME}_${UNRES_CSA_FF}.exe")
+set(UNRES_BIN "unresCSA_${Fortran_COMPILER_NAME}_${UNRES_CSA_FF}_DiL.exe")
 
 #=========================================
 # cinfo.f workaround for CMake
 #=========================================
-# get current time
+# get the current date  
 TODAY(DATE)
 # generate cinfo.f
-FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
+
+set(CINFO "${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}'
-       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,*)'CSA Force field: ${UNRES_CSA_FF}'
-       write(iout,*)'++++ End of compile info ++++'  
-       return 
-       end
 ")
-# set include path
+
+CINFO_FORMAT(${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 ")
+
+## set include path
 set_property(SOURCE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f PROPERTY COMPILE_FLAGS "${FFLAGS0} -I${CMAKE_CURRENT_SOURCE_DIR}" )
 
 #=========================================
 # Set full unres CSA sources
 #=========================================
-set(UNRES_CSA_SRCS ${UNRES_CSA_SRC0} ${UNRES_CSA_SRC3} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f )
+set(UNRES_CSA_DiL_SRCS ${UNRES_CSA_DiL_SRC0} ${UNRES_CSA_DiL_SRC3} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f )
 
 #=========================================
 # Build the binary
 #=========================================
-add_executable(UNRES_BIN-CSA ${UNRES_CSA_SRCS} )
-set_target_properties(UNRES_BIN-CSA PROPERTIES OUTPUT_NAME ${UNRES_BIN})
+add_executable(UNRES_BIN-CSA-DIL ${UNRES_CSA_DiL_SRCS} )
+set_target_properties(UNRES_BIN-CSA-DIL PROPERTIES OUTPUT_NAME ${UNRES_BIN})
 
 #set_property(TARGET ${UNRES_BIN} PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin/unres/MD )
 #add_dependencies (${UNRES_BIN} ${UNRES_XDRFLIB})
@@ -229,7 +236,7 @@ set_target_properties(UNRES_BIN-CSA PROPERTIES OUTPUT_NAME ${UNRES_BIN})
 # Link libraries
 #=========================================
 # link MPI library (libmpich.a)  
-target_link_libraries( UNRES_BIN-CSA ${MPIF_LIBRARIES} )
+target_link_libraries( UNRES_BIN-CSA-DIL ${MPIF_LIBRARIES} )
 # link libxdrf.a 
 #target_link_libraries( ${UNRES_BIN} xdrf )