.SUFFIXES: .inc .f .F
#-----------------------------------------------------------------------
# Makefile for HPCX, version of VASP 4.4.3, 
# makefile used by Dario Alfe` (d.alfe@ucl.ac.uk). This makefile will not
# necessarily work with your version of VASP and should only be considered
# as an example. 
#-----------------------------------------------------------------------

# all CPP processed fortran files have the extension .f 
SUFFIX=.f

# fortran compiler us $(FC) allready set
FC=mpxlf90 -qfree=f90

# C-preprocessor define any of the flags given below
# single_precission     single precission BLAS/LAPACK calls
# vector
# essl                  use ESSL call sequence for DSYGV
# NGXhalf               charge density   reduced in X direction
# NGZhalf               charge density   reduced in Z direction
# wNGXhalf              gamma point only reduced in X direction
# wNGZhalf              gamma point only reduced in Z direction
# if you do not have scaLAPACK remove -DscaLAPACK
CPP     = /usr/ccs/lib/cpp -P -DMPI -Dkind8 -DNGZhalf -DwNGZhalf \
     -DscaLAPACK -DCACHE_SIZE=32768 $*.F >$*.f

# general fortran flags
FFLAGS = 
# optimization (if you are running on POWER2 only set -qarch=pwr2)
OFLAG  = -O3 -qarch=auto 
OFLAG_HIGH = $(OFLAG)
OBJ_HIGH = none
OBJ_NOOPT = none
DEBUG  = -g 
#INCS   =  -I../../archives/mpich/include/
INLINE = -O3 -qarch=auto

# options for linking
LINK    = -Wl,-bD:1100000000 
MPI     =  -L/usr/lpp/ppe.poe/lib/ -lmpi
SCALAPACK = -L/usr/local/lib  -lblacs -lscalapack /usr/local/lib/blacsCinit.a
LIB     = -L../vasp.4.lib -ldmy  ../vasp.4.lib/lapack_double.o -lesslp2  \
          $(SCALAPACK) $(MPI)
FFT3D   = fftmpi.o   fftmpi_map.o fft3dlib.o

#-----------------------------------------------------------------------
# general rules and compile lines
#-----------------------------------------------------------------------
BASIC=   symmetry.o symlib.o   lattlib.o  random.o   

SOURCE=  base.o     mpi.o      constant.o jacobi.o   main_mpi.o  scala.o   \
         asa.o      lattice.o  poscar.o   ini.o      setex.o     radial.o  \
         pseudo.o   mgrid.o    mkpoints.o wave.o      wave_mpi.o  $(BASIC) \
         nonl.o     nonlr.o    dfast.o    choleski2.o    \
         mix.o      charge.o   xcgrad.o   xcspin.o    potex1.o   potex2.o  \
         pot.o      force.o    dos.o      elf.o      \
         tet.o      hamil.o    steep.o    hamil_rot.o \
         sphpro.o   chain.o    dyna.o     paw.o       us.o \
         rot.o      ebs.o      wavpre.o wavpre_noio.o broyden.o \
         dynbr.o    rmm-diis.o reader.o   tutor.o \
         brent.o    stufak.o   fileio.o   opergrid.o stepver.o  \
         dipol.o    xclib.o    chgloc.o   subrot.o   optreal.o   \
         edtest.o   electron.o shm.o      pardens.o  paircorrection.o

INC=

vasp: $(SOURCE) $(FFT3D) $(INC) main.o 
	rm -f vasp
	$(FC) main.o $(SOURCE) $(LINK)  $(FFT3D) $(LIB) -o vasp
makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC)
	$(FC) makeparam.o $(SOURCE) $(LINK) $(FFT3D) $(LIB) -o makeparam
dgemmtest: dgemmtest.o base.o random.o $(INC)
	$(FC) dgemmtest.o random.o base.o $(LINK) $(LIB) -o dgemmtest
ffttest: base.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC)
	$(FC) ffttest.o mpi.o mgrid.o random.o base.o $(LINK) $(FFT3D) $(LIB) -o  ffttest

main.o: main$(SUFFIX)
	$(FC) $(FFLAGS) $(DEBUG)  $(INCS) -c main$(SUFFIX)
xcgrad.o: xcgrad$(SUFFIX)
	$(FC) $(FFLAGS) $(INLINE)  $(INCS) -c xcgrad$(SUFFIX)
xcspin.o: xcspin$(SUFFIX)
	$(FC) $(FFLAGS) $(INLINE)  $(INCS) -c xcspin$(SUFFIX)
wave.o: wave$(SUFFIX)
	$(FC) $(FFLAGS)  $(INCS) -c wave$(SUFFIX)
nonl.o: nonl$(SUFFIX)
	$(FC) $(FFLAGS) -O3 -qarch=auto  $(INCS) -c nonl$(SUFFIX)

makeparam.o: makeparam$(SUFFIX)
	$(FC) $(FFLAGS)$(DEBUG)  $(INCS) -c makeparam$(SUFFIX)

makeparam$(SUFFIX): makeparam.F main.F 
#
# MIND: I do not have a full dependency list for the include
# and MODULES: here are only the minimal basic dependencies
# if one strucuture is changed then touch_dep must be called
# with the corresponding name of the structure
#
base.o: base.inc base.F
mgrid.o: mgrid.inc mgrid.F
constant.o: constant.inc constant.F
lattice.o: lattice.inc lattice.F
setex.o: setexm.inc setex.F
pseudo.o: pseudo.inc pseudo.F
poscar.o: poscar.inc poscar.F
mkpoints.o: mkpoints.inc mkpoints.F
wave.o: wave.inc wave.F
nonl.o: nonl.inc nonl.F
nonlr.o: nonlr.inc nonlr.F

$(OBJ_HIGH):
	$(CPP)
	$(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX)
$(OBJ_NOOPT):
	$(CPP)
	$(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX)

.F.o:
	$(CPP)
	$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
.F$(SUFFIX):
	$(CPP)
$(SUFFIX).o:
	$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)