X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=inline;f=source%2Funres%2Fsrc_MIN%2FCMakeLists.txt;h=dcc86b144226ed745d371c86716cb33226c3465c;hb=74bdd704fd49f47c96d95a5a70f37a2e6f46ace9;hp=668da3bc9e075352743fe399300dcb1ea2027e14;hpb=a1da60c51c6053818199a05696c4fcee6533f828;p=unres.git

diff --git a/source/unres/src_MIN/CMakeLists.txt b/source/unres/src_MIN/CMakeLists.txt
index 668da3b..dcc86b1 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 +33,33 @@ set(UNRES_MIN_SRC0
 	printmat.f 
 	randgens.f 
 	readrtns_min.F
+	refsys.f
 	rescode.f 
+	refsys.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 +127,10 @@ if (Fortran_COMPILER_NAME STREQUAL "ifort")
   set(FFLAGS2 "-w -g -00 ")
   set(FFLAGS3 "-g -w -ipo " )
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
-  set(FFLAGS0 " " ) 
-  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")
 
 
@@ -160,12 +169,42 @@ set_property(SOURCE ${UNRES_MIN_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS}
 #========================================
 set(UNRES_BIN "unres_min_${Fortran_COMPILER_NAME}.exe")
 
-#set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
+#========================================
+#  cinfo.f workaround for Cmake
+#========================================
+# get the current date  
+TODAY(DATE)
+# generate cinfo.f
+
+set(CINFO "${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 ${UNRES_PATCH}'
+")
+
+CINFO_FORMAT(${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}")
 
 #=========================================
 # 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
@@ -173,13 +212,19 @@ set(UNRES_MIN_SRCS ${UNRES_MIN_SRC0} ${UNRES_MIN_SRC1} ${UNRES_MIN_SRC2} ${UNRES
 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")
+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 )
 
 #=========================================
+# INSTALL 
+#=========================================
+
+install(TARGETS UNRES_BIN-MIN RUNTIME DESTINATION unrespack/bin)
+
+#=========================================
 # TESTS 
 #=========================================