X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCMakeLists.txt;h=a228d16977406f47ac5db36d10a925b420beb3ac;hb=e22a1f0e211043433e4f7c83d5605fa0edddabc9;hp=1c4a8796eb608c93496ff7f87ff201e47b957dca;hpb=5f331e648636da48baee4467989f411fb3d8af24;p=unres.git

diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt
index 1c4a879..a228d16 100644
--- a/source/unres/src_MD/CMakeLists.txt
+++ b/source/unres/src_MD/CMakeLists.txt
@@ -59,6 +59,7 @@ set(UNRES_MD_SRC0
 	parmread.F 
 	pinorm.f 
 	printmat.f 
+	prng_32.F
 	q_measure.F 
 	randgens.f 
 	rattle.F 
@@ -71,6 +72,7 @@ set(UNRES_MD_SRC0
 	rmsd.F 
 	sc_move.F 
 	sort.f 
+	ssMD.F
 	stochfric.F 
 	sumsld.f 
 	surfatom.f 
@@ -78,22 +80,8 @@ set(UNRES_MD_SRC0
 	timing.F
 	thread.F 
 	unres.F
-	ssMD.F
 )
 
-if(Fortran_COMPILER_NAME STREQUAL "ifort")
-  set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng.f ) 
-elseif(Fortran_COMPILER_NAME STREQUAL "mpif90")
-  set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng.f )
-elseif(Fortran_COMPILER_NAME STREQUAL "f95")
-  set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng.f )
-elseif(Fortran_COMPILER_NAME STREQUAL "gfortran")
-  set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng.f )
-else()
-  set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng_32.F )
-endif (Fortran_COMPILER_NAME STREQUAL "ifort")
-
-
 set(UNRES_MD_SRC3 
 	energy_p_new_barrier.F 
 	energy_p_new-sep_barrier.F 
@@ -124,6 +112,7 @@ set(UNRES_MD_PP_SRC
 	MP.F 
 	MREMD.F 
 	parmread.F 
+	prng_32.F
 	q_measure1.F 
 	q_measure3.F 
 	q_measure.F
@@ -133,6 +122,7 @@ set(UNRES_MD_PP_SRC
 	regularize.F 
 	rmsd.F 
 	sc_move.F 
+	ssMD.F
 	stochfric.F 
 	test.F 
 	thread.F 
@@ -141,11 +131,6 @@ set(UNRES_MD_PP_SRC
 	proc_proc.c 
 ) 
 
-
-if(NOT Fortran_COMPILER_NAME STREQUAL "ifort")
-  set(UNRES_MD_PP_SRC ${UNRES_MD_PP_SRC} prng_32.F) 
-endif(NOT Fortran_COMPILER_NAME STREQUAL "ifort")
-
 #================================================
 # Set comipiler flags for different sourcefiles  
 #================================================
@@ -233,6 +218,13 @@ if (UNRES_WITH_MPI)
 endif(UNRES_WITH_MPI)
 
 #=========================================
+# Add 64-bit specific preprocessor flags
+#=========================================
+if (architektura STREQUAL "64")
+  set(CPPFLAGS "${CPPFLAGS} -DAMD64")
+endif (architektura STREQUAL "64")
+
+#=========================================
 # Apply preprocesor flags to *.F files
 #=========================================
 set_property(SOURCE ${UNRES_MD_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
@@ -243,10 +235,10 @@ set_property(SOURCE ${UNRES_MD_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS}
 #========================================
 if(UNRES_WITH_MPI) 
   # binary with mpi
-  set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_MPICH_${UNRES_MD_FF}.exe")
+  set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_MPICH_${UNRES_MD_FF}.exe")
 else(UNRES_WITH_MPI)
   # binary without mpi
-  set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}.exe")
+  set(UNRES_BIN "unresMD_${Fortran_COMPILER_NAME}_single_${UNRES_MD_FF}.exe")
 endif(UNRES_WITH_MPI)  
 
 #=========================================
@@ -292,7 +284,7 @@ set(UNRES_MD_SRCS ${UNRES_MD_SRC0} ${UNRES_MD_SRC3} ${CMAKE_CURRENT_BINARY_DIR}/
 #=========================================
 add_executable(UNRES_BIN-MD ${UNRES_MD_SRCS} )
 set_target_properties(UNRES_BIN-MD PROPERTIES OUTPUT_NAME ${UNRES_BIN})
-#set_property(TARGET ${UNRES_BIN} PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin/unres/MD )
+set_property(TARGET UNRES_BIN-MD PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin )
 #add_dependencies (${UNRES_BIN} ${UNRES_XDRFLIB})
 
 
@@ -308,10 +300,9 @@ endif(UNRES_WITH_MPI)
 target_link_libraries( UNRES_BIN-MD xdrf )
 
 #=========================================
-# INSTALL 
+# Install Path
 #=========================================
- 
-install(TARGETS UNRES_BIN-MD RUNTIME DESTINATION unrespack/bin)
+install(TARGETS UNRES_BIN-MD DESTINATION ${CMAKE_INSTALL_PREFIX}/unres/MD) 
 
 #=========================================
 # TESTS 
@@ -350,7 +341,7 @@ FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_single_ala.sh
 export POT=GB
 export PREFIX=ala10
 #-----------------------------------------------------------------------------
-UNRES_BIN=./${UNRES_BIN}
+UNRES_BIN=${CMAKE_BINARY_DIR}/bin/${UNRES_BIN}
 #-----------------------------------------------------------------------------
 DD=${CMAKE_SOURCE_DIR}/PARAM
 export BONDPAR=$DD/${UNRES_BONDPAR}