renamining + shielding parallel

[unres4.git] / source / cluster / CMakeLists.txt

diff --git a/source/cluster/CMakeLists.txt b/source/cluster/CMakeLists.txt
index 5feee37..cdb54a5 100644 (file)
--- a/source/cluster/CMakeLists.txt
+++ b/source/cluster/CMakeLists.txt
@@ -8,6 +8,36 @@ enable_language (Fortran)
 # Set source file lists
 #================================
 set(UNRES_CLUSTER_WHAM_SRC0 
+ clust_data.F90
+ ../wham/wham_data.F90
+ ../unres/data/names.F90
+ ../unres/data/io_units.F90
+ ../unres/data/calc_data.F90
+ ../unres/data/compare_data.F90
+ ../unres/data/control_data.F90
+ ../unres/data/energy_data.F90
+ ../unres/data/geometry_data.F90
+ ../unres/data/map_data.F90
+ ../unres/data/MCM_data.F90
+ ../unres/data/MD_data.F90
+ ../unres/data/minim_data.F90
+ ../unres/data/MPI_data.F90
+ ../unres/data/comm_local.F90
+ ../unres/math.F90
+ ../unres/geometry.F90
+ ../unres/io_base.F90
+ ../unres/energy.F90
+ ../unres/control.F90
+ ../unres/io_config.F90
+ ../unres/regularize.F90
+ ../wham/io_wham.F90
+ ../wham/conform_compar.F90
+ ../wham/work_partition.F90
+ probabl.F90
+ track.F90
+ hc.F90
+ io_clust.F90
+ cluster.F90
 )
 
 
@@ -15,13 +45,15 @@ set(UNRES_CLUSTER_WHAM_SRC0
 # Set compiler flags for different sourcefiles  
 #================================================
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
-  set(FFLAGS0 "-mcmodel=medium -shared-intel -ip -w -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres " ) 
+  set (CMAKE_Fortran_FLAGS_RELEASE " ")
+  set (CMAKE_Fortran_FLAGS_DEBUG   "-O0 -g ")     
+  set(FFLAGS0 "-CB -g -fpp -mcmodel=medium -shared-intel -ip " )
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
-  set(FFLAGS0 "-std=legacy -mcmodel=medium -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres " ) 
-elseif (Fortran_COMPILER_NAME STREQUAL "pgf90")
-  set(FFLAGS0 "-mcmodel=medium -Mlarge_arrays -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" )
+  set(FFLAGS0 "-std=legacy -mcmodel=medium " )
+elseif (Fortran_COMPILER_NAME STREQUAL "pgF90")
+  set(FFLAGS0 "-mcmodel=medium -Mlarge_arrays " )
 else ()
-  set(FFLAGS0 "-mcmodel=medium -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres " ) 
+  set(FFLAGS0 "-mcmodel=medium " )
 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 
 #=========================================
@@ -53,7 +85,7 @@ endif(UNRES_MD_FF STREQUAL "GAB")
 #=========================================
 # Additional flags
 #=========================================
-set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN -DCLUST" )
+set(CPPFLAGS "${CPPFLAGS} -DUNRES -DISNAN -DCLUSTER" )
 
 #=========================================
 # Compiler specific flags
@@ -93,7 +125,7 @@ endif(UNRES_WITH_MPI)
 #=========================================
 # Apply preprocesor flags to *.F files
 #=========================================
-set_property(SOURCE ${UNRES_CLUSTER_WHAM_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
+set_property(SOURCE ${UNRES_CLUSTER_WHAM_SRC0} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
 
 
 #========================================
@@ -101,12 +133,12 @@ set_property(SOURCE ${UNRES_CLUSTER_WHAM_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${
 #========================================
 set(UNRES_CLUSTER_WHAM_BIN "cluster_wham_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe")
 
-set_property(SOURCE proc_proc.c PROPERTY COMPILE_DEFINITIONS "LINUX -DPGI" )  
+#set_property(SOURCE proc_proc.c PROPERTY COMPILE_DEFINITIONS "LINUX -DPGI" )  
 
 #=========================================
 # Set full unres CLUSTER sources
 #=========================================
-set(UNRES_CLUSTER_WHAM_SRCS ${UNRES_CLUSTER_WHAM_SRC0} proc_proc.c)
+set(UNRES_CLUSTER_WHAM_SRCS ${UNRES_CLUSTER_WHAM_SRC0})
 
 #=========================================
 # Build the binary
@@ -128,7 +160,7 @@ target_link_libraries( UNRES_CLUSTER_WHAM_BIN xdrf )
 #=========================================
 # Install Path
 #=========================================
-install(TARGETS UNRES_CLUSTER_WHAM_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/cluster)
+install(TARGETS UNRES_CLUSTER_WHAM_BIN DESTINATION ${CMAKE_INSTALL_PREFIX})
 
 
 #=========================================