X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MIN%2FCMakeLists.txt;h=0ebc88f4cce1b50c45cfeff21e9366125e738d4f;hb=6dc708961db80026ad97cace3ea72af59799c078;hp=a6c2db0a5430befab8085093b03be0ac5354272b;hpb=656ee3d88bc976ae9f7830160a393e72ee33aa48;p=unres.git

diff --git a/source/unres/src_MIN/CMakeLists.txt b/source/unres/src_MIN/CMakeLists.txt
index a6c2db0..0ebc88f 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 
@@ -30,27 +33,32 @@ set(UNRES_MIN_SRC0
 	printmat.f 
 	randgens.f 
 	readrtns_min.F
+	refsys.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 
@@ -118,10 +126,10 @@ if (Fortran_COMPILER_NAME STREQUAL "ifort")
   set(FFLAGS2 "-w -g -00 ")
   set(FFLAGS3 "-g -w -ipo " )
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
-  set(FFLAGS0 "-O" ) 
-  set(FFLAGS1 "-g -C" ) 
-  set(FFLAGS2 "-g -O0 ")
-  set(FFLAGS3 "-O3" )
+  set(FFLAGS0 "-std=legacy -O " ) 
+  set(FFLAGS1 "-std=legacy -g -C" ) 
+  set(FFLAGS2 "-std=legacy -g -O0 ")
+  set(FFLAGS3 "-std=legacy -O3" )
 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 
 
@@ -166,22 +174,29 @@ set(UNRES_BIN "unres_min_${Fortran_COMPILER_NAME}.exe")
 # 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: ${CMAKE_Fortran_COMPILER}'
-       write(iout,*)'Version MINI energy and minimization only'
-       write(iout,*)'++++ End of compile info ++++'  
-       return  
-       end     
 ")
+
+CINFO_FORMAT(${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(${CINFO} "CPPFLAGS =" "${CPPFLAGS}")
+
+FILE(APPEND ${CINFO} 
+"       write(iout,*)'Version MINI energy and minimalization 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}")