#   top-level $(MAKE)file for the AmberTools suite of programs
AMBERTOOLS=AmberTools, version 1.5
CONFIG_FILE=config.h
CONFIG_COMMAND=./configure
PARALLEL_TOKEN=DMPI

include $(CONFIG_FILE)

install: $(INSTALLTYPE)

serial: configured_serial $(NETCDFLIB) $(PYINSTALL) $(MTKPP)
	@echo "Starting installation of ${AMBERTOOLS} serial at `date`".
#	utility routines and libraries:
	(cd ucpp-1.3 && $(MAKE) $(UCPP) )
	(cd byacc && $(MAKE) install )
	(cd arpack && $(MAKE) install );
	(cd lapack && $(MAKE) $(LAPACK) )
	(cd blas && $(MAKE) $(BLAS) )
	(cd c9x-complex && $(MAKE) $(C9XCOMPLEX) )
	(cd etc && $(MAKE) install )
	(cd chamber && $(MAKE) install )
	(cd pbsa && $(MAKE) install )

#	antechamber:
	(cd antechamber && $(MAKE) install )
	(cd sqm && $(MAKE) install )

#   ptraj:
	(cd ptraj && $(MAKE) install )

#   cpptraj:
	(cd cpptraj && $(MAKE) $(CPPTRAJ))

#   miscellaneous:
	(cd reduce && $(MAKE) install )

#   leap and gleap:
	(cd leap && $(MAKE) install )
	(cd gleap && $(MAKE) install )

#   rism
	(cd rism && $(MAKE) install )

#   nab:
	(cd cifparse && $(MAKE) install )
	(cd sff && $(MAKE) install )
	(cd pbsa && $(MAKE) libinstall )
	(cd nab && $(MAKE) install )
	(cd nss && $(MAKE) install )
	(cd rism && $(MAKE) rism3d.snglpnt$(SFX) )

#   mdgx:
	(cd mdgx && $(MAKE) $(MDGX) )

#   xtalutil:
	(cd xtalutil/Clibs/ && $(MAKE) install )
	(cd xtalutil/CPrograms/ && $(MAKE) install )

#	mmpbsa_py
	(cd mmpbsa_py && $(MAKE) install)

	@echo ""
	@echo "Installation of ${AMBERTOOLS} serial is complete at `date`."
	@echo ""

nabonly: $(NETCDFLIB) 
#	utility routines and libraries:
	(cd ucpp-1.3 && $(MAKE) $(UCPP) )
	(cd byacc && $(MAKE) install )
	(cd arpack && $(MAKE) install );
	(cd lapack && $(MAKE) $(LAPACK) )
	(cd blas && $(MAKE) $(BLAS) )
	(cd c9x-complex && $(MAKE) $(C9XCOMPLEX) )
	(cd pbsa && $(MAKE) libinstall )
	(cd rism && $(MAKE) install )

#	nab:
	(cd cifparse && $(MAKE) install )
	(cd sff && $(MAKE) install )
	(cd nab && $(MAKE) install )
	(cd nss && $(MAKE) install )

	@echo
	@echo "Completed installation of NAB"
	@echo

mtkpponly: configured_serial install_mtkpp

install_mtkpp:
	@echo "Starting installation of MTK++ at `date`".
	(cd mtkpp && $(MAKE) install )
	(cd mtkpp/tests && $(MAKE) create )

	@echo
	@echo "Completed installation of MTK++"
	@echo

parallel: configured_parallel $(NETCDFLIB) $(PNETCDFLIB) mmpbsa_parallel
	@echo "Starting installation of ${AMBERTOOLS} MPI at `date`".
	(cd ptraj && $(MAKE) parallel )
	(cd sff && $(MAKE) clean libsff_mpi )
	if [ -n "$(RISMSFF)" ]; then \
		(cd rism && $(MAKE) install_mpi )\
	fi
	(cd pbsa && $(MAKE) install.parallel )
	(cd nab && $(MAKE) parallel )
	if [ -n "$(RISMSFF)" ]; then \
		(cd rism && $(MAKE) rism3d.snglpnt.MPI$(SFX) )\
	fi

	@echo ""
	@echo "Installation of ${AMBERTOOLS} MPI is complete at `date`."
	@echo ""

mmpbsa_parallel:
	(cd mmpbsa_py && $(MAKE) parallel)

configured:
	@(if [ ! -f $(CONFIG_FILE) ] ; then \
		echo "Error: $(CONFIG_COMMAND) must be executed before $(MAKE) !" ;\
		exit 2 ;\ # $(CONFIG_COMMAND) ;\
	fi ;\
	)

configured_serial: configured
	@(if grep $(PARALLEL_TOKEN) $(CONFIG_FILE) > /dev/null ; then \
		echo "Error: $(CONFIG_FILE) is of type parallel, not serial !" ;\
		echo "  Rerun $(CONFIG_COMMAND) without the -mpi flag." ;\
		exit 2 ;\
	fi ;\
	)

configured_parallel: configured
	@(grep $(PARALLEL_TOKEN) $(CONFIG_FILE) > /dev/null || \
		{ echo "Error: $(CONFIG_FILE) is of type serial, not parallel !" ;\
			echo "  Rerun $(CONFIG_COMMAND) with the -mpi flag." ;\
			exit 2 ;\
		} ;\
	)

clean::  netcdf_clean python_clean
	-(cd ucpp-1.3 && $(MAKE) clean )
	-(cd byacc && $(MAKE) clean )
	-(cd cifparse && $(MAKE) clean )
	-(cd nab && $(MAKE) clean )
	-(cd sff && $(MAKE) clean )
	-(cd nss && $(MAKE) clean )
	-(cd leap && $(MAKE) clean )
	-(cd gleap && $(MAKE) clean )
	-(cd arpack && $(MAKE) clean )
	-(cd blas && $(MAKE) clean )
	-(cd lapack && $(MAKE) clean )
	-(cd c9x-complex && $(MAKE) clean )
	-(cd etc && $(MAKE) clean )
	-(cd chamber && $(MAKE) clean )
	-(cd pbsa && $(MAKE) clean )
	-(cd antechamber && $(MAKE) clean )
	-(cd sqm && $(MAKE) clean )
	-(cd lib && $(MAKE) clean )
	-(cd ptraj && $(MAKE) clean )
	-(cd cpptraj && $(MAKE) atclean)
	-(cd reduce && $(MAKE) clean )
	-(cd mtkpp && $(MAKE) clean )
	-(cd mdgx && $(MAKE) clean )
	-(cd xtalutil/CPrograms && $(MAKE) clean )
#	-(cd paramfit && $(MAKE) clean )
	-(cd rism && $(MAKE) clean )
	-(cd fftw-2.1.5 && $(MAKE) clean )
	-(cd fftw-3.2.2 && $(MAKE) clean )
	-(cd mmpbsa_py && $(MAKE) clean )

netcdf_clean:
	-(cd netcdf/src && $(MAKE) clean)
	-(cd netcdf/lib && rm -f *.a *.la)
	-(cd netcdf/include && rm -f *.mod netcdf.*)
	-(cd netcdf/bin && rm -f *)
	-(cd pnetcdf/src && $(MAKE) clean)
	-(cd pnetcdf/lib && rm -f *.a *.la)
	-(cd pnetcdf/include && rm -f *.mod netcdf.*)
	-(cd pnetcdf/bin && rm -f *)

uninstall:
	-(cd ucpp-1.3 && $(MAKE) uninstall )
	-(cd byacc && $(MAKE) uninstall )
	-(cd cifparse && $(MAKE) uninstall )
	-(cd nab && $(MAKE) uninstall )
	-(cd sff && $(MAKE) uninstall )
	-(cd nss && $(MAKE) uninstall )
	-(cd leap && $(MAKE) uninstall )
	-(cd gleap && $(MAKE) uninstall )
	-(cd arpack && $(MAKE) uninstall )
	-(cd blas && $(MAKE) uninstall )
	-(cd lapack && $(MAKE) uninstall )
	-(cd c9x-complex && $(MAKE) uninstall )
	-(cd etc && $(MAKE) uninstall )
	-(cd chamber && $(MAKE) uninstall )
	-(cd pbsa && $(MAKE) uninstall )
	-(cd antechamber && $(MAKE) uninstall )
	-(cd sqm && $(MAKE) uninstall )
	-(cd lib && $(MAKE) uninstall )
	-(cd ptraj && $(MAKE) uninstall )
	-(cd reduce && $(MAKE) uninstall )
	-(cd mdgx && $(MAKE) uninstall )
	-(cd xtalutil/CPrograms && $(MAKE) uninstall )
	-(cd mtkpp && $(MAKE) uninstall )
#	-(cd paramfit && $(MAKE) uninstall )
	-(cd rism && $(MAKE) uninstall )
	-(cd netcdf/src && $(MAKE) uninstall)
	-(cd fftw-2.1.5 && $(MAKE) uninstall)
	-(cd fftw-3.2.2 && $(MAKE) uninstall)
	-(cd cpptraj && $(MAKE) uninstall)
	-(cd mdgx && $(MAKE) uninstall)
	-(cd mmpbsa_py && $(MAKE) uninstall )
#	-(rm -f fftw2_config.log fftw3_config.log \
#	python2.6_config.log netcdf_config.log )

$(NETCDFLIB):
	cd netcdf/src && $(MAKE) install

$(PNETCDFLIB):
	cd pnetcdf && $(MAKE) && $(MAKE) install

python:
	cd etc/Python-2.6.6 && $(MAKE) && $(MAKE) install

python_clean:
	-cd etc && /bin/rm -fr Python-2.6.6