X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2FCMakeLists.txt;h=9f3df871a0b9bb040263ef1ac9d480c984caa305;hb=011f9a16683bb48096837601ff7136a747e01981;hp=7113b9cb31227efc02d1cc158f42414855c54223;hpb=73bfa34484db655f1164432fedd48c02509793a3;p=unres.git

diff --git a/source/wham/src/CMakeLists.txt b/source/wham/src/CMakeLists.txt
index 7113b9c..9f3df87 100644
--- a/source/wham/src/CMakeLists.txt
+++ b/source/wham/src/CMakeLists.txt
@@ -37,6 +37,7 @@ set(UNRES_WHAM_SRC0
 	rescode.f
 	setup_var.f
 	slices.F
+	ssMD.F
 	store_parm.F
 	timing.F
 	wham_calc1.F
@@ -79,6 +80,7 @@ set(UNRES_WHAM_PP_SRC
 	readrtns_compar.F
 	readrtns.F
 	slices.F
+	ssMD.F
 	store_parm.F
 	timing.F
 	wham_calc1.F
@@ -92,9 +94,11 @@ set(UNRES_WHAM_PP_SRC
 # Set comipiler flags for different sourcefiles  
 #================================================
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
-  set(FFLAGS0 "-mcmodel=medium -g -CB -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" ) 
+  set(FFLAGS0 "-mcmodel=large -g -CB -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" ) 
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
   set(FFLAGS0 "-std=legacy -g -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" ) 
+else ()
+  set(FFLAGS0 "-g -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" )   
 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 
 
@@ -102,7 +106,7 @@ endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 # Add MPI compiler flags
 #=========================================
 if(UNRES_WITH_MPI)
-  set(FFLAGS0 "${FFLAGS0} -I${MPIF_INCLUDE_DIRECTORIES}")
+  set(FFLAGS0 "${FFLAGS0} -I${MPI_Fortran_INCLUDE_PATH}")
 endif(UNRES_WITH_MPI)
 
 set_property(SOURCE ${UNRES_WHAM_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
@@ -127,7 +131,7 @@ endif(UNRES_MD_FF STREQUAL "GAB")
 #=========================================
 # Additional flags
 #=========================================
-set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN") 
+set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN -DWHAM ") 
 
 
 #=========================================
@@ -176,7 +180,7 @@ set_property(SOURCE ${UNRES_WHAM_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS
 #========================================
 #  Setting binary name
 #========================================
-set(UNRES_WHAM_BIN "wham_${Fortran_COMPILER_NAME}.exe")
+set(UNRES_WHAM_BIN "wham_${Fortran_COMPILER_NAME}_${UNRES_MD_FF}.exe")
 
 #=========================================
 # cinfo.f workaround for CMake
@@ -220,19 +224,24 @@ set(UNRES_WHAM_SRCS ${UNRES_WHAM_SRC0} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f proc_
 #=========================================
 add_executable(UNRES_WHAM_BIN ${UNRES_WHAM_SRCS} )
 set_target_properties(UNRES_WHAM_BIN PROPERTIES OUTPUT_NAME ${UNRES_WHAM_BIN})
-
-#set_property(TARGET ${UNRES_BIN} PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin/unres/MD )
+set_property(TARGET UNRES_WHAM_BIN PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin )
 #add_dependencies (${UNRES_BIN} ${UNRES_XDRFLIB})
 
 #=========================================
 # Link libraries
 #=========================================
-# link MPI library (libmpich.a)  
-target_link_libraries( UNRES_WHAM_BIN ${MPIF_LIBRARIES} )
+# link MPI libraries
+target_link_libraries( UNRES_WHAM_BIN ${MPI_Fortran_LIBRARIES} )
 # link libxdrf.a 
 target_link_libraries( UNRES_WHAM_BIN xdrf )
 
 #=========================================
+# Install Path
+#=========================================
+install(TARGETS UNRES_WHAM_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/wham)
+
+
+#=========================================
 # TESTS 
 #=========================================