#
# CMake project file for UNRES with Minimazation 
# 

enable_language (Fortran)

#================================
# Set source file lists
#================================
# sources used with FFLAGS0
set(UNRES_MIN_SRC0 
	arcos.f
	cartder.F 
	cartprint.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 
	intlocal.f 
	int_to_cart.f 
	matmult.f 
	minimize_p.F
	misc.f 
	MP.F 
	parmread.F 
	pinorm.f 
	printmat.f 
	randgens.f 
	readrtns_min.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 
	chainbuild.F 
	checkder_p.F 
	compare_s1.F
	cored.f
	csa.f 
	dihed_cons.F
	diff12.f 
	econstr_local.F
	energy_p_new.F
	energy_p_new_barrier.F 
	energy_split-sep.F 
	entmcm.F 
	gen_rand_conf.F
	geomout.F 
	gradient_p.F 
	intcor.f
	initialize_p.F 
	intcartderiv.F 
	lagrangian_lesyng.F 
	matmult.f
	mc.F 
	mcm.F 
	MD_A-MTS.F
	minimize_p.F 
	minim_jlee.F
	minim_mcmf.F 
	MP.F 
	MREMD.F
	newconf.f 
	parmread.F 
	permut.F
	prng_32.F 
	q_measure1.F 
	q_measure3.F 
	q_measure.F
	ran.f
	rattle.F 
	readpdb.F 
	readrtns_min.F
	regularize.F
	rmdd.f 
	rmsd.F 
	sc_move.F
	shift.F 
	stochfric.F
	sumsld.f 
	test.F 
	thread.F 
	timing.F
	together.F
	unres.F 
) 


#================================================
# Set comipiler flags for different sourcefiles  
#================================================
if (Fortran_COMPILER_NAME STREQUAL "ifort")
  find_package (Threads)
  set(FFLAGS0 "-g -ip -w" ) 
  set(FFLAGS1 "-w -g -d2 -CA -CB" ) 
  set(FFLAGS2 "-w -g -00 ")
  set(FFLAGS3 "-g -w -ipo " )
elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
  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_property(SOURCE ${UNRES_MIN_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
set_property(SOURCE ${UNRES_MIN_SRC1} PROPERTY COMPILE_FLAGS ${FFLAGS1} )
set_property(SOURCE ${UNRES_MIN_SRC2} PROPERTY COMPILE_FLAGS ${FFLAGS2} )
set_property(SOURCE ${UNRES_MIM_SRC3} PROPERTY COMPILE_FLAGS ${FFLAGS3} )

# set preprocesor flags   
set(CPPFLAGS "PROCOR -DLINUX -DISNAN -DSPLITELE -DLANG0 -DSCCORPDB" )

if (Fortran_COMPILER_NAME STREQUAL "ifort")
  # Add ifort preprocessor flags
  set(CPPFLAGS "${CPPFLAGS} -DPGI") 
elseif (Fortran_COMPILER_NAME STREQUAL "f95")
  # Add gfortran flags
  set(CPPFLAGS "${CPPFLAGS} -DG77") 
elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
  # Add gfortran flags
  set(CPPFLAGS "${CPPFLAGS} -DG77") 
endif (Fortran_COMPILER_NAME STREQUAL "ifort")


# 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_MIN_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  



#========================================
#  Setting binary name
#========================================
set(UNRES_BIN "unres_${Fortran_COMPILER_NAME}_MIN_single_${UNRES_MD_FF}.exe")

#========================================
#  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_SRC1} ${UNRES_MIN_SRC2} ${UNRES_MIN_SRC3} ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f )

#=========================================
# Build the binary
#=========================================
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_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 )


#=========================================
# Install Path
#=========================================
install(TARGETS UNRES_MIN_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/unres/MINIM)