X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MIN%2FCMakeLists.txt;h=a6c2db0a5430befab8085093b03be0ac5354272b;hb=f937bbb7ec86905bcc2b6d5cee5e4b3ca764a2a2;hp=639a366f3846332f510908395b1ea5bf5e9c8a2a;hpb=43fd38cadfbe4659305fdd450cb851601dd6654c;p=unres.git

diff --git a/source/unres/src_MIN/CMakeLists.txt b/source/unres/src_MIN/CMakeLists.txt
index 639a366..a6c2db0 100644
--- a/source/unres/src_MIN/CMakeLists.txt
+++ b/source/unres/src_MIN/CMakeLists.txt
@@ -15,6 +15,7 @@ set(UNRES_MIN_SRC0
 	checkder_p.F 
 	convert.f 
 	econstr_local.F
+	geomout_min.F
 	initialize_p.F 
 	intcartderiv.F
 	intcor.f 
@@ -28,6 +29,7 @@ set(UNRES_MIN_SRC0
 	pinorm.f 
 	printmat.f 
 	randgens.f 
+	readrtns_min.F
 	rescode.f 
 	rmdd.f 
 	sumsld.f 
@@ -90,7 +92,7 @@ set(UNRES_MIN_PP_SRC
 	ran.f
 	rattle.F 
 	readpdb.F 
-	readrtns_CSA.F 
+	readrtns_min.F
 	regularize.F
 	rmdd.f 
 	rmsd.F 
@@ -110,16 +112,15 @@ set(UNRES_MIN_PP_SRC
 # Set comipiler flags for different sourcefiles  
 #================================================
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
-  set(FFLAGS0 "-ip -w" ) 
+  find_package (Threads)
+  set(FFLAGS0 "-g -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 " )
+  set(FFLAGS3 "-g -w -ipo " )
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
-  set(FFLAGS0 " " ) 
-  set(FFLAGS1 "-g " ) 
-  set(FFLAGS2 " ")
-  #set(FFLAGS3 "-c -w -O3 -ipo -ipo_obj -opt_report" )
+  set(FFLAGS0 "-O" ) 
+  set(FFLAGS1 "-g -C" ) 
+  set(FFLAGS2 "-g -O0 ")
   set(FFLAGS3 "-O3" )
 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 
@@ -159,12 +160,35 @@ set_property(SOURCE ${UNRES_MIN_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS}
 #========================================
 set(UNRES_BIN "unres_min_${Fortran_COMPILER_NAME}.exe")
 
-#set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
+#========================================
+#  cinfo.f workaround for Cmake
+#========================================
+# 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,*)'Version MINI energy and minimization only'
+       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 MIN sources
 #=========================================
-set(UNRES_MIN_SRCS ${UNRES_MIN_SRC0} ${UNRES_MIN_SRC3} cinfo.f )
+set(UNRES_MIN_SRCS ${UNRES_MIN_SRC0} ${UNRES_MIN_SRC1} ${UNRES_MIN_SRC2} ${UNRES_MIN_SRC3} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f )
 
 #=========================================
 # Build the binary
@@ -172,6 +196,10 @@ set(UNRES_MIN_SRCS ${UNRES_MIN_SRC0} ${UNRES_MIN_SRC3} cinfo.f )
 add_executable(UNRES_BIN-MIN ${UNRES_MIN_SRCS} )
 set_target_properties(UNRES_BIN-MIN PROPERTIES OUTPUT_NAME ${UNRES_BIN})
 
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+  target_link_libraries (UNRES_BIN-MIN ${CMAKE_THREAD_LIBS_INIT})
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
 #set_property(TARGET ${UNRES_BIN} PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin/unres/MD )
 
 #=========================================