2 # CMake project file for UNRES with Minimazation
5 enable_language (Fortran)
7 #================================
8 # Set source file lists
9 #================================
48 energy_p_new_barrier.F
64 energy_p_new_barrier.F
109 #================================================
110 # Set comipiler flags for different sourcefiles
111 #================================================
112 if (Fortran_COMPILER_NAME STREQUAL "ifort")
113 set(FFLAGS0 "-ip -w" )
114 set(FFLAGS1 "-w -g -d2 -CA -CB" )
115 set(FFLAGS2 "-w -g -00 ")
116 #set(FFLAGS3 "-c -w -O3 -ipo -ipo_obj -opt_report" )
117 set(FFLAGS3 "-w -ipo " )
118 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
122 #set(FFLAGS3 "-c -w -O3 -ipo -ipo_obj -opt_report" )
124 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
127 set_property(SOURCE ${UNRES_MIN_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
128 set_property(SOURCE ${UNRES_MIN_SRC1} PROPERTY COMPILE_FLAGS ${FFLAGS1} )
129 set_property(SOURCE ${UNRES_MIN_SRC2} PROPERTY COMPILE_FLAGS ${FFLAGS2} )
130 set_property(SOURCE ${UNRES_MIM_SRC3} PROPERTY COMPILE_FLAGS ${FFLAGS3} )
132 # set preprocesor flags
133 set(CPPFLAGS "PROCOR -DLINUX -DISNAN -DSPLITELE -DLANG0" )
135 if (Fortran_COMPILER_NAME STREQUAL "ifort")
136 # Add ifort preprocessor flags
137 set(CPPFLAGS "${CPPFLAGS} -DPGI")
138 elseif (Fortran_COMPILER_NAME STREQUAL "f95")
140 set(CPPFLAGS "${CPPFLAGS} -DG77")
141 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
143 set(CPPFLAGS "${CPPFLAGS} -DG77")
144 endif (Fortran_COMPILER_NAME STREQUAL "ifort")
147 # add 64-bit specific preprocessor flags
148 if (architektura STREQUAL "64")
149 set(CPPFLAGS "${CPPFLAGS} -DAMD64")
150 endif (architektura STREQUAL "64")
152 # Apply preprocesor flags to *.F files
153 set_property(SOURCE ${UNRES_MIN_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )
157 #========================================
158 # Setting binary name
159 #========================================
160 set(UNRES_BIN "unres_min_${Fortran_COMPILER_NAME}.exe")
162 #set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
164 #=========================================
165 # Set full unres MIN sources
166 #=========================================
167 set(UNRES_MIN_SRCS ${UNRES_MIN_SRC0} ${UNRES_MIN_SRC3} cinfo.f )
169 #=========================================
171 #=========================================
172 add_executable(UNRES_BIN-MIN ${UNRES_MIN_SRCS} )
173 set_target_properties(UNRES_BIN-MIN PROPERTIES OUTPUT_NAME ${UNRES_BIN})
175 #set_property(TARGET ${UNRES_BIN} PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin/unres/MD )
177 #=========================================
179 #=========================================
181 #-- Copy all the data files from the test directory into the source directory
182 #SET(UNRES_TEST_FILES
186 #FOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
187 # SET (unres_test_dest "${CMAKE_CURRENT_BINARY_DIR}/${UNRES_TEST_FILE}")
188 # MESSAGE (STATUS " Copying ${UNRES_TEST_FILE} from ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} to ${unres_test_dest}")
189 # ADD_CUSTOM_COMMAND (
190 # TARGET ${UNRES_BIN}
192 # COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} ${unres_test_dest}
194 #ENDFOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
196 #=========================================
197 # Generate data test files
198 #=========================================
200 #if(NOT UNRES_WITH_MPI)
202 # add_test(NAME UNRES_MD_Ala10 COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
204 #endif(NOT UNRES_WITH_MPI)