#================================
# 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}")
#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
#=========================================