X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2FCMakeLists.txt;h=0fcc200b46b37365e97a9ea04426b742ea8ab8c5;hb=656ee3d88bc976ae9f7830160a393e72ee33aa48;hp=238261875f7cce9c34bc6db1d7385ec56eff40ac;hpb=5e7ef767e99a894dc6976db6fa4a2e4041318ed0;p=unres.git

diff --git a/source/wham/src-M/CMakeLists.txt b/source/wham/src-M/CMakeLists.txt
index 2382618..0fcc200 100644
--- a/source/wham/src-M/CMakeLists.txt
+++ b/source/wham/src-M/CMakeLists.txt
@@ -23,6 +23,7 @@ set(UNRES_WHAM_M_SRC0
 	cartprint.f
 	chainbuild.F
 	geomout.F
+	gnmr1.f
 	icant.f
 	intcor.f
 	int_from_cart.f
@@ -31,6 +32,7 @@ set(UNRES_WHAM_M_SRC0
 	misc.f
 	mygetenv.F
 	parmread.F
+	permut.F	
 	pinorm.f
 	printmat.f
 	rescode.f
@@ -40,6 +42,7 @@ set(UNRES_WHAM_M_SRC0
 	timing.F
 	wham_calc1.F
         readrtns_compar.F
+	read_dist_constr.F
 	readpdb.f
 	fitsq.f 
 	contact.f
@@ -74,7 +77,9 @@ set(UNRES_WHAM_M_PP_SRC
 	mygetenv.F
 	openunits.F
 	parmread.F
+	permut.F	
 	read_ref_str.F
+	read_dist_constr.F
 	readrtns_compar.F
 	readrtns.F
 	slices.F
@@ -93,8 +98,7 @@ set(UNRES_WHAM_M_PP_SRC
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
   set(FFLAGS0 "-g -CB -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres -I${MPIF_INCLUDE_DIRECTORIES}" ) 
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
-  set(FFLAGS0 "-g -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres
--I${MPIF_INCLUDE_DIRECTORIES}" ) 
+  set(FFLAGS0 "-g -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres -I${MPIF_INCLUDE_DIRECTORIES}" ) 
 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
 
 
@@ -159,25 +163,34 @@ set_property(SOURCE ${UNRES_WHAM_M_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLA
 set(UNRES_WHAM_M_BIN "wham_${Fortran_COMPILER_NAME}.exe")
 
 #=========================================
-# cinfo.f stupid workaround for cmake
-#  - shame on me ]:)
+# cinfo.f workaround for CMake
 #=========================================
-set_property(SOURCE compinfo.c PROPERTY CMAKE_C_FLAGS "-c" )
-add_executable(compinfo-wham-m compinfo.c)
-set_target_properties(compinfo-wham-m PROPERTIES OUTPUT_NAME compinfo)
-
-set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
-add_custom_command(OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f 
-	COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/cinfo.f ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
-	COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/COMMON.IOUNITS ${CMAKE_CURRENT_BINARY_DIR}/COMMON.IOUNITS 
-	COMMAND ${CMAKE_CURRENT_BINARY_DIR}/compinfo | true	
-	DEPENDS compinfo-wham-m )
-set_property(SOURCE ${UNRES_CINFO_DIR}/cinfo.f PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+# get date
+TODAY(DATE)
+# getenerate 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,*)'Force field: ${UNRES_MD_FF}'
+       write(iout,*)'++++ End of compile info ++++'  
+       return 
+       end
+")
+# set include paths
+set_property(SOURCE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f PROPERTY COMPILE_FLAGS "${FFLAGS0} -I${CMAKE_CURRENT_SOURCE_DIR}"  )
 
 #=========================================
 # Set full unres CSA sources
 #=========================================
-set(UNRES_WHAM_M_SRCS ${UNRES_WHAM_M_SRC0} ${UNRES_CINFO_DIR}/cinfo.f proc_proc.c)
+set(UNRES_WHAM_M_SRCS ${UNRES_WHAM_M_SRC0} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f proc_proc.c)
 
 #=========================================
 # Build the binary