#================================
# Set source file lists
#================================
+# sources used with FFLAGS0
set(UNRES_MIN_SRC0
arcos.f
cartder.F
chainbuild.F
checkder_p.F
convert.f
+ djacob.f
econstr_local.F
- geomout_min.F
+ gen_rand_conf.F
+ geomout_min.F
initialize_p.F
intcartderiv.F
intcor.f
printmat.f
randgens.f
readrtns_min.F
+ refsys.f
rescode.f
+ refsys.f
rmdd.f
+ sc_move.F
sumsld.f
timing.F
unres_min.F
)
-
+# sources used with FFLAGS1
set(UNRES_MIN_SRC1
cored.f
)
+# sources used with FFLAGS2
set(UNRES_MIN_SRC2
readpdb.F
)
+# sources used with FFLAGS3
set(UNRES_MIN_SRC3
energy_p_new_barrier.F
gradient_p.F
)
+# sources used with preprocesor flags (should also be listed above with FFLAGSX)
set(UNRES_MIN_PP_SRC
bank.F
cartder.F
set(FFLAGS2 "-w -g -00 ")
set(FFLAGS3 "-g -w -ipo " )
elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
- set(FFLAGS0 "-O" )
- set(FFLAGS1 "-g -C" )
- set(FFLAGS2 "-g -O0 ")
- set(FFLAGS3 "-O3" )
+ set(FFLAGS0 "-std=legacy -O " )
+ set(FFLAGS1 "-std=legacy -g -C" )
+ set(FFLAGS2 "-std=legacy -g -O0 ")
+ set(FFLAGS3 "-std=legacy -O3" )
endif (Fortran_COMPILER_NAME STREQUAL "ifort")
# get the current date
TODAY(DATE)
# generate cinfo.f
-FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
+
+set(CINFO "${CMAKE_CURRENT_BINARY_DIR}/cinfo.f")
+FILE(WRITE ${CINFO}
"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: ${CMAKE_Fortran_COMPILER}'
- write(iout,*)'Version MINI energy and minimization only'
- write(iout,*)'++++ End of compile info ++++'
- return
- end
")
+
+CINFO_FORMAT(${CINFO} "Compiled" "${DATE}" )
+CINFO_FORMAT(${CINFO} "Compiled by" "$ENV{USER}@$ENV{HOST}" )
+CINFO_FORMAT(${CINFO} "OS name:" "${CMAKE_SYSTEM_NAME}" )
+CINFO_FORMAT(${CINFO} "OS release:" "${CMAKE_SYSTEM}" )
+CINFO_FORMAT(${CINFO} "Fortran Compiler:" "${CMAKE_Fortran_COMPILER}" )
+CINFO_FORMAT(${CINFO} "CPPFLAGS =" "${CPPFLAGS}")
+
+FILE(APPEND ${CINFO}
+" write(iout,*)'Version MINI energy and minimalization only'
+ write(iout,*)'++++ End of compile info ++++'
+ return
+ end ")
+
# add include path
set_property(SOURCE ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f PROPERTY COMPILE_FLAGS "${FFLAGS0} -I${CMAKE_CURRENT_SOURCE_DIR}")
#=========================================
# Build the binary
#=========================================
-add_executable(UNRES_BIN-MIN ${UNRES_MIN_SRCS} )
-set_target_properties(UNRES_BIN-MIN PROPERTIES OUTPUT_NAME ${UNRES_BIN})
+add_executable(UNRES_MIN_BIN ${UNRES_MIN_SRCS} )
+set_target_properties(UNRES_MIN_BIN PROPERTIES OUTPUT_NAME ${UNRES_BIN})
if (Fortran_COMPILER_NAME STREQUAL "ifort")
- target_link_libraries (UNRES_BIN-MIN ${CMAKE_THREAD_LIBS_INIT})
+ target_link_libraries (UNRES_MIN_BIN ${CMAKE_THREAD_LIBS_INIT})
endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+set_property(TARGET UNRES_MIN_BIN PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin )
-#set_property(TARGET ${UNRES_BIN} PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin/unres/MD )
#=========================================
-# TESTS
-#=========================================
-
-#-- Copy all the data files from the test directory into the source directory
-#SET(UNRES_TEST_FILES
-# ala10.inp
-# )
-
-#FOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
-# SET (unres_test_dest "${CMAKE_CURRENT_BINARY_DIR}/${UNRES_TEST_FILE}")
-# MESSAGE (STATUS " Copying ${UNRES_TEST_FILE} from ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} to ${unres_test_dest}")
-# ADD_CUSTOM_COMMAND (
-# TARGET ${UNRES_BIN}
-# POST_BUILD
-# COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} ${unres_test_dest}
-# )
-#ENDFOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
-
+# Install Path
#=========================================
-# Generate data test files
-#=========================================
-
-#if(NOT UNRES_WITH_MPI)
-
-# add_test(NAME UNRES_MD_Ala10 COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
+install(TARGETS UNRES_MIN_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/unres/MINIM)
-#endif(NOT UNRES_WITH_MPI)
-