#================================
# 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
+ gen_rand_conf.F
+ geomout_min.F
initialize_p.F
intcartderiv.F
intcor.f
pinorm.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
ran.f
rattle.F
readpdb.F
- readrtns_CSA.F
+ readrtns_min.F
regularize.F
rmdd.f
rmsd.F
# Set comipiler flags for different sourcefiles
#================================================
if (Fortran_COMPILER_NAME STREQUAL "ifort")
- set(FFLAGS0 "-ip -w" )
+ find_package (Threads)
+ set(FFLAGS0 "-g -ip -w" )
set(FFLAGS1 "-w -g -d2 -CA -CB" )
set(FFLAGS2 "-w -g -00 ")
- #set(FFLAGS3 "-c -w -O3 -ipo -ipo_obj -opt_report" )
- set(FFLAGS3 "-w -ipo " )
+ set(FFLAGS3 "-g -w -ipo " )
elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
- set(FFLAGS0 " " )
- set(FFLAGS1 "-g " )
- set(FFLAGS2 " ")
- #set(FFLAGS3 "-c -w -O3 -ipo -ipo_obj -opt_report" )
- 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")
#========================================
set(UNRES_BIN "unres_min_${Fortran_COMPILER_NAME}.exe")
-#set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
+#========================================
+# cinfo.f workaround for Cmake
+#========================================
+# get the current date
+TODAY(DATE)
+# generate 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 ${UNRES_PATCH}'
+")
+
+CINFO_FORMAT(${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}")
#=========================================
# Set full unres MIN sources
#=========================================
-set(UNRES_MIN_SRCS ${UNRES_MIN_SRC0} ${UNRES_MIN_SRC3} cinfo.f )
+set(UNRES_MIN_SRCS ${UNRES_MIN_SRC0} ${UNRES_MIN_SRC1} ${UNRES_MIN_SRC2} ${UNRES_MIN_SRC3} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f )
#=========================================
# Build the binary
add_executable(UNRES_BIN-MIN ${UNRES_MIN_SRCS} )
set_target_properties(UNRES_BIN-MIN PROPERTIES OUTPUT_NAME ${UNRES_BIN})
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+ target_link_libraries (UNRES_BIN-MIN ${CMAKE_THREAD_LIBS_INIT})
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
#set_property(TARGET ${UNRES_BIN} PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin/unres/MD )
#=========================================
+# INSTALL
+#=========================================
+
+install(TARGETS UNRES_BIN-MIN RUNTIME DESTINATION unrespack/bin)
+
+#=========================================
# TESTS
#=========================================