X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MIN%2FCMakeLists.txt;h=feafdc84fa33ca67d3d72af0bf60a61d4d942e51;hb=98efa9df3f208f7a5a5b833bdf6c829d8d5a0345;hp=ddb6896345489cb4be036d4c6710c7a28181cc8c;hpb=69e7eb6f86190ed55e6a46fb2ea82840f3da19be;p=unres.git

diff --git a/source/unres/src_MIN/CMakeLists.txt b/source/unres/src_MIN/CMakeLists.txt
index ddb6896..feafdc8 100644
--- a/source/unres/src_MIN/CMakeLists.txt
+++ b/source/unres/src_MIN/CMakeLists.txt
@@ -7,6 +7,7 @@ enable_language (Fortran)
 #================================
 # Set source file lists
 #================================
+# sources used with FFLAGS0
 set(UNRES_MIN_SRC0 
 	arcos.f
 	cartder.F 
@@ -14,8 +15,10 @@ set(UNRES_MIN_SRC0
 	chainbuild.F 
 	checkder_p.F 
 	convert.f 
+	djacob.f
 	econstr_local.F
-	geomout_min.F
+	gen_rand_conf.F
+  	geomout_min.F
 	initialize_p.F 
 	intcartderiv.F
 	intcor.f 
@@ -32,25 +35,29 @@ set(UNRES_MIN_SRC0
 	readrtns_min.F
 	rescode.f 
 	rmdd.f 
+	sc_move.F
 	sumsld.f 
 	timing.F
 	unres_min.F
 
 )
-
+# sources used with FFLAGS1
 set(UNRES_MIN_SRC1 
 	cored.f
 )
 
+# sources used with FFLAGS2
 set(UNRES_MIN_SRC2 
 	readpdb.F
 )
 
+# sources used with FFLAGS3
 set(UNRES_MIN_SRC3 
 	energy_p_new_barrier.F
 	gradient_p.F
 )
 
+# sources used with preprocesor flags (should also be listed above with FFLAGSX)
 set(UNRES_MIN_PP_SRC
 	bank.F 
 	cartder.F 
@@ -118,7 +125,7 @@ if (Fortran_COMPILER_NAME STREQUAL "ifort")
   set(FFLAGS2 "-w -g -00 ")
   set(FFLAGS3 "-g -w -ipo " )
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
-  set(FFLAGS0 " " ) 
+  set(FFLAGS0 "-O" ) 
   set(FFLAGS1 "-g -C" ) 
   set(FFLAGS2 "-g -O0 ")
   set(FFLAGS3 "-O3" )
@@ -160,12 +167,35 @@ 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_SRC1} ${UNRES_MIN_SRC2} ${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