The ABINIT Users Mailing List ( CLOSED )

[g930102@ccit.edu.tw]

Dear ABINIT users, 

Does any abinit user have try the PAW files other than Test_v4 and 
pwpaw_update070903? I would like to generate some PAW files of Group III-V,  
I am wish someone who can give me some practical examples.

I have compiled Atompaw2abinit, AtomPaw and PwPaw in Windows 2000 sp4,
it is works but I am not sure how good it is. So I post my makefile to
provide someone who wants to reproduce and check.

Best wishes, 

=======================================================
Lu Fu-Fa, Doctoral Student, E-mail: g930102@ccit.edu.tw
Semiconductors Lab., Dept. of Applied Physics
Chung Cheng Institute of Technology (CCIT), Taiwan
======================================================= 


___________________________________
NOCC, http://nocc.sourceforge.net#
# System-dependent Make definitions for cygwin in Windows platform
# and Intel compiler (v.7) - contributed by Lu Fu-Fa, CCIT, Taiwan

# PC Machine: Intel P-3
# Operation System: Microsoft Windows 2000 sp4
# Unixlike Environment in Windows: cygwin
# Compiler: Intel(R) Fortran Compiler, Ver 7.1  Build 20030801z
# Compiler: Intel(R) C++ Compiler, Ver 7.1  Build 20030801z
# MKL Library: Intel(R) Math Kernel Library, Ver6.1
# FFT Library: FFTW package(http://www.fftw.org/),
#              FFTW 2.1.5.(http://www.fftw.org/fftw-2.1.5.tar.gz)
#
PROG =  pwpaw

SRCS =  anderson_mixing.f90 atom_data.f90 basis_lib.f90 \
        btree.f90 btree_data.f90 btree_support.f90 bz_data.f90 bzint.f90 \
        charges.f90 complex_lru.f90 coulomb_matrix.f90 coulomb_pack.f90 \
        countbands.f90 cpusec.f90 crystal_data.f90 crystal_symmetry.f90 \
        debug.f90 denvhat_pack.f90 doijmatrix.f90 doprint.f90 errorfunc.f90 \
        exchange_corr.f90 fftw.f90 fileio.f90 forces.f90 gaussbzi.f90 \
        gaussfunc_data.f90 gausslib.f90 gpoints.f90 \
        gradenk.f90 grrp.f90 hamiltonian.f90 initatomtypes.f90 \
        initspecificatoms.f90 initsystem.f90 \
        laplacian.f90 lcao.f90 \
        ldatom_info.f90 ldsupercell.f90 local_criteria_lib.f90 \
        lrulib.f90 ltbzi.f90 mathlib.f90 mem_data.f90 memmgr.f90 metric.f90 \
        misc.f90 oinverse.f90 openfile.f90 options_data.f90 \
        orbital_matrix.f90 orbital_pack.f90 paw_end.f90 paw_init.f90 \
        paw_inout.f90 projectors.f90 \
        psilib.f90 pwpaw.f90 qtbzi.f90 read_input.f90 real_lru.f90 relax.f90 \
        relaxsys.f90 search_sort.f90 solver.f90 spherical_harmonic.f90 \
        stopwatch.f90 storedata.f90 strings.f90 structfact.f90 \
        timedependent.f90 timing.f90 units.f90 vhartree_pack.f90 \
        word.f90 work_mgr.f90 ylm_fact.f90 group.f rest_inv.f symgen.f \
        symm_ident.f

OBJS =  anderson_mixing.o atom_data.o basis_lib.o btree.o \
        btree_data.o btree_support.o bz_data.o bzint.o charges.o \
        complex_lru.o coulomb_matrix.o coulomb_pack.o countbands.o cpusec.o \
        crystal_data.o crystal_symmetry.o debug.o denvhat_pack.o doijmatrix.o 
\
        doprint.o errorfunc.o exchange_corr.o fftw.o fileio.o forces.o \
        gaussbzi.o gaussfunc_data.o gausslib.o gpoints.o \
        gradenk.o grrp.o hamiltonian.o initatomtypes.o initspecificatoms.o \
        initsystem.o \
        laplacian.o lcao.o ldatom_info.o ldsupercell.o \
        local_criteria_lib.o lrulib.o ltbzi.o mathlib.o mem_data.o memmgr.o \
        metric.o misc.o oinverse.o openfile.o options_data.o orbital_matrix.o 
\
        orbital_pack.o paw_end.o paw_init.o paw_inout.o \
        projectors.o psilib.o pwpaw.o qtbzi.o read_input.o \
        real_lru.o relax.o relaxsys.o search_sort.o solver.o \
        spherical_harmonic.o stopwatch.o storedata.o strings.o structfact.o \
        timedependent.o timing.o units.o vhartree_pack.o word.o \
        work_mgr.o ylm_fact.o group.o rest_inv.o symgen.o symm_ident.o

LIBOB = anderson_mixing.o atom_data.o basis_lib.o btree.o \
        btree_data.o btree_support.o bz_data.o bzint.o charges.o \
        complex_lru.o coulomb_matrix.o coulomb_pack.o countbands.o cpusec.o \
        crystal_data.o crystal_symmetry.o debug.o denvhat_pack.o doijmatrix.o 
\
        doprint.o errorfunc.o exchange_corr.o fftw.o fileio.o forces.o \
        gaussbzi.o gaussfunc_data.o gausslib.o gpoints.o \
        gradenk.o grrp.o hamiltonian.o initatomtypes.o initspecificatoms.o \
        initsystem.o \
        laplacian.o lcao.o ldatom_info.o ldsupercell.o \
        local_criteria_lib.o lrulib.o ltbzi.o mathlib.o mem_data.o memmgr.o \
        metric.o misc.o oinverse.o openfile.o options_data.o orbital_matrix.o 
\
        orbital_pack.o paw_end.o paw_init.o paw_inout.o \
        projectors.o psilib.o qtbzi.o read_input.o \
        real_lru.o relax.o relaxsys.o search_sort.o solver.o \
        spherical_harmonic.o stopwatch.o storedata.o strings.o structfact.o \
        timedependent.o timing.o units.o vhartree_pack.o word.o \
        work_mgr.o ylm_fact.o group.o rest_inv.o symgen.o symm_ident.o
#
# Loader:
#
# The following is for Intel MKL libraries v. 6.1 on Pentium-3 or above
#
# Here we use fftw-2.1.5, compiled with Intel compiler(v.7)
# 
# /4Yportlib  <->   libPEPCF90.lib
# enables the use of portability libraries (getarg and maybe other library 
calls)
#
LIBS =  mkl_c.lib libfftw.lib libPEPCF90.lib
#########################################################################
#
#  Note: These absoft flags assume that the fftw library was compiled with
#   the default flags (the executable names are of the form sub__) and that
#   the lapack source was compiled with the f77 flags:
#                                            -f -O2 -cpu:p7 -B108
##########################################################################
#
# c++ compiler
#
#CC=/cygdrive/c/Progra~1/Intel/Compiler70/IA32/Bin/icl.exe
CC = icl.exe
CFLAGS = 

#
# Fortran compiler
#
#F90=/cygdrive/c/Progra~1/Intel/Compiler70/IA32/Bin/ifl.exe
FC = ifl.exe
F90 = ifl.exe

#
# Fortran compiler flags
#
# /4Yportlib    enables the use of portability libraries (getarg
#               and maybe other library calls)
# /w            disable warnings
# /O3           more aggressive optimization
# /G6           Pentium Pro, 2, 3  optimization
# /G7           Pentium 4  optimization
#
FFLAGS = /O3 /G6 /w /Qextend_source
F90FLAGS = /O3 /G6 /FR /w /Qextend_source
F90FLAGSM =
#
# Linker: 
#
#LD=/cygdrive/c/Progra~1/Intel/Compiler70/IA32/Bin/icl.exe
LD  =      icl.exe
LDFLAGS = /O3 /4Yportlib


all:    $(PROG)

$(PROG):        $(OBJS)
        $(LD) $(LDFLAGS) /Fe$@.exe pwpaw.o $(LIBOB) $(LIBS)

preparepdos:    preparepdos.o errorfunc.o
        $(LD) $(LDFLAGS) /Fepreparepdos.exe preparepdos.o errorfunc.o $(LIBS)

prepareballandstick:    prepareballandstick.o
        $(LD) $(LDFLAGS) /Feprepareballandstick.exe prepareballandstick.o 
$(LIBS)

genkpoints:     genkpoints.o crystal_data.o crystal_symmetry.o mathlib.o \
                paw_inout.o strings.o units.o word.o atom_data.o \
                bzint.o ltbzi.o qtbzi.o gaussbzi.o bz_data.o \
                anderson_mixing.o gaussfunc_data.o errorfunc.o

        $(LD) $(LDFLAGS) /Fegenkpoints.exe genkpoints.o crystal_data.o \
                crystal_symmetry.o mathlib.o paw_inout.o strings.o units.o \
                word.o atom_data.o bzint.o ltbzi.o qtbzi.o gaussbzi.o \
                bz_data.o anderson_mixing.o gaussfunc_data.o errorfunc.o \
                $(LIBS)

bandplot:       bandplot.o crystal_data.o mathlib.o errorfunc.o\
                paw_inout.o strings.o units.o word.o bzint.o ltbzi.o\
                gaussbzi.o bz_data.o qtbzi.o

        $(LD) $(LDFLAGS) /Febandplot.exe bandplot.o crystal_data.o \
                mathlib.o errorfunc.o paw_inout.o strings.o units.o \
                word.o bzint.o ltbzi.o gaussbzi.o bz_data.o qtbzi.o \
                $(LIBS)

libfile:        $(LIBOB)
        ar r libpwpaw.a $(LIBOB)

compile:
        $(F90) $(LDFLAGS) -o $(PROG) $(OBJS) $(LIBS)

clean:
        rm -f $(PROG) *.o *.mod *.a

removeX:
        rm -f bandplot preparepdos genkpoints prepareballandstick

.SUFFIXES: $(SUFFIXES) .f90

%.o :   %.f90
        $(F90) $(F90FLAGS) -c $<
        -mv $*.obj $*.o

%.o :   %.f
        $(FC) $(FFLAGS) -c $<
        -mv $*.obj $*.o

cpusec.o:       cpusec.f90
        $(F90) $(F90FLAGSM) /c cpusec.f90 /Focpusec.o

stopwatch.o:    stopwatch.f90 cpusec.o
        $(F90) $(F90FLAGSM) /c stopwatch.f90 /Fostopwatch.o

timing.o:       timing.f90
        $(F90) $(F90FLAGSM) /c timing.f90 /Fotiming.o

word.o: word.f90
        $(F90) $(F90FLAGSM) /c word.f90 /Foword.o

misc.o: misc.f90
        $(F90) $(F90FLAGSM) /c misc.f90 /Fomisc.o

fftw.o: timing.o
        $(F90) $(F90FLAGS) /O3 /FR /w /c fftw.f90 /Fofftw.o

anderson_mixing.o:      paw_inout.o
atom_data.o:    anderson_mixing.o gaussfunc_data.o strings.o
bandplot.o:     crystal_data.o mathlib.o paw_inout.o strings.o units.o word.o
btree.o:        btree_support.o
btree_support.o:        btree_data.o
bzint.o:        bz_data.o gaussbzi.o ltbzi.o mathlib.o qtbzi.o
charges.o:      atom_data.o crystal_data.o doijmatrix.o gpoints.o mathlib.o \
        mem_data.o memmgr.o paw_inout.o projectors.o relaxsys.o strings.o \
        word.o
complex_lru.o:  fileio.o paw_inout.o
coulomb_matrix.o:       atom_data.o coulomb_pack.o spherical_harmonic.o \
        vhartree_pack.o
countbands.o:   atom_data.o misc.o paw_inout.o word.o
crystal_data.o: bzint.o
crystal_symmetry.o:     atom_data.o crystal_data.o mathlib.o paw_inout.o
debug.o:        basis_lib.o fileio.o gpoints.o hamiltonian.o mem_data.o 
memmgr.o \
        oinverse.o paw_inout.o psilib.o search_sort.o word.o
doijmatrix.o:   atom_data.o
doprint.o:      paw_inout.o
exchange_corr.o:        mathlib.o
# fftw.o:       timing.o
fileio.o:       atom_data.o mem_data.o misc.o paw_inout.o
forces.o:       atom_data.o crystal_data.o crystal_symmetry.o gpoints.o \
        hamiltonian.o mathlib.o mem_data.o memmgr.o misc.o options_data.o \
        paw_inout.o projectors.o psilib.o search_sort.o \
        spherical_harmonic.o word.o
gaussbzi.o:     bz_data.o
gausslib.o:     gaussfunc_data.o
genkpoints.o:   crystal_data.o crystal_symmetry.o mathlib.o paw_inout.o \
        strings.o units.o word.o
gpoints.o:      btree.o fftw.o mathlib.o misc.o options_data.o paw_inout.o 
word.o
gradenk.o:      atom_data.o crystal_data.o gpoints.o mathlib.o options_data.o 
\
        paw_inout.o projectors.o spherical_harmonic.o
grrp.o: debug.o fileio.o hamiltonian.o mem_data.o memmgr.o paw_inout.o \
        psilib.o search_sort.o
hamiltonian.o:  anderson_mixing.o atom_data.o basis_lib.o coulomb_pack.o \
        crystal_data.o crystal_symmetry.o denvhat_pack.o doijmatrix.o \
        exchange_corr.o gausslib.o gpoints.o laplacian.o mathlib.o mem_data.o 
\
        memmgr.o misc.o oinverse.o options_data.o orbital_pack.o paw_inout.o \
        projectors.o psilib.o search_sort.o spherical_harmonic.o \
        vhartree_pack.o word.o work_mgr.o
initatomtypes.o:        atom_data.o misc.o paw_inout.o
initspecificatoms.o:    atom_data.o misc.o paw_inout.o strings.o
initsystem.o:   atom_data.o bz_data.o crystal_data.o crystal_symmetry.o \
        exchange_corr.o fileio.o gpoints.o hamiltonian.o ldatom_info.o \
        local_criteria_lib.o mathlib.o mem_data.o memmgr.o misc.o oinverse.o \
        options_data.o paw_inout.o psilib.o relaxsys.o solver.o \
        spherical_harmonic.o structfact.o ylm_fact.o
laplacian.o:    atom_data.o gpoints.o misc.o search_sort.o
lcao.o: atom_data.o bz_data.o crystal_data.o debug.o gpoints.o hamiltonian.o \
        mem_data.o memmgr.o misc.o options_data.o paw_inout.o \
        projectors.o psilib.o spherical_harmonic.o word.o work_mgr.o
ldatom_info.o:  atom_data.o crystal_data.o denvhat_pack.o exchange_corr.o \
        gausslib.o mathlib.o misc.o options_data.o paw_inout.o \
        projectors.o search_sort.o vhartree_pack.o word.o
ldsupercell.o:  crystal_data.o ldatom_info.o mathlib.o paw_inout.o 
storedata.o \
        strings.o units.o word.o
local_criteria_lib.o:   atom_data.o crystal_data.o gpoints.o paw_inout.o 
word.o
lrulib.o:       complex_lru.o real_lru.o
mem_data.o:     anderson_mixing.o misc.o paw_inout.o
memmgr.o:       anderson_mixing.o mem_data.o options_data.o paw_inout.o \
        projectors.o psilib.o
metric.o:       mathlib.o paw_inout.o
misc.o: timing.o word.o
oinverse.o:     atom_data.o crystal_data.o doijmatrix.o gpoints.o lrulib.o \
        projectors.o spherical_harmonic.o structfact.o work_mgr.o \
        ylm_fact.o
openfile.o:     paw_inout.o word.o
orbital_matrix.o:       atom_data.o denvhat_pack.o orbital_pack.o paw_inout.o 
\
        spherical_harmonic.o word.o
paw_end.o:      paw_inout.o timing.o word.o
paw_init.o:     atom_data.o crystal_data.o exchange_corr.o 
local_criteria_lib.o \
        mem_data.o options_data.o paw_inout.o spherical_harmonic.o
paw_inout.o:    strings.o units.o word.o
projectors.o:   atom_data.o crystal_data.o gpoints.o lrulib.o \
        spherical_harmonic.o structfact.o timing.o work_mgr.o ylm_fact.o
psilib.o:       fileio.o mem_data.o misc.o paw_inout.o word.o
pwpaw.o:        mathlib.o paw_inout.o strings.o timing.o word.o
read_input.o:   atom_data.o charges.o crystal_data.o debug.o forces.o \
        hamiltonian.o ldatom_info.o local_criteria_lib.o mem_data.o memmgr.o \
        options_data.o paw_inout.o relaxsys.o solver.o storedata.o
real_lru.o:     fileio.o paw_inout.o
relax.o:        atom_data.o basis_lib.o debug.o hamiltonian.o laplacian.o 
mem_data.o \
        metric.o options_data.o projectors.o psilib.o work_mgr.o
relaxsys.o:     anderson_mixing.o atom_data.o crystal_data.o 
crystal_symmetry.o \
        forces.o gradenk.o mem_data.o memmgr.o misc.o options_data.o \
        paw_inout.o psilib.o solver.o storedata.o timedependent.o word.o \
        work_mgr.o
solver.o:       anderson_mixing.o atom_data.o debug.o fileio.o gpoints.o 
grrp.o \
        hamiltonian.o lcao.o mem_data.o memmgr.o options_data.o paw_inout.o \
        psilib.o relax.o search_sort.o storedata.o timing.o
spherical_harmonic.o:   mathlib.o misc.o
storedata.o:    basis_lib.o crystal_symmetry.o exchange_corr.o fileio.o \
        gpoints.o grrp.o hamiltonian.o mem_data.o memmgr.o metric.o \
        options_data.o paw_inout.o psilib.o search_sort.o strings.o word.o \
        atoms.i symmetry.h
structfact.o:   atom_data.o gpoints.o lrulib.o work_mgr.o
timedependent.o:        atom_data.o mem_data.o memmgr.o misc.o options_data.o 
\
        paw_inout.o psilib.o solver.o storedata.o word.o work_mgr.o
timing.o:       stopwatch.o
units.o:        strings.o
word.o: strings.o
work_mgr.o:     mem_data.o misc.o paw_inout.o
ylm_fact.o:     atom_data.o crystal_data.o gpoints.o lrulib.o \
        spherical_harmonic.o work_mgr.o
group.o:        atoms.i
rest_inv.o:     atoms.i symmetry.h
symgen.o:       atoms.i symmetry.h
#
# System-dependent Make definitions for cygwin in Windows platform
# and Intel compiler (v.7) - contributed by Lu Fu-Fa, CCIT, Taiwan

# PC Machine: Intel P-3
# Operation System: Microsoft Windows 2000 sp4
# Unixlike Environment in Windows: cygwin
# Compiler: Intel(R) Fortran Compiler, Ver 7.1  Build 20030801z
# Compiler: Intel(R) C++ Compiler, Ver 7.1  Build 20030801z
# MKL Library: Intel(R) Math Kernel Library, Ver6.1
# FFT Library: FFTW package(http://www.fftw.org/),
#              FFTW 2.1.5.(http://www.fftw.org/fftw-2.1.5.tar.gz)
#
PROG =  atompaw

SRCS =  anderson_realmix.f90 \
        alanfac.f90 apoisson.f90 atompaw.f90 boundsch.f90 boundsep.f90 \
        bsolvtphi.f90 dfatom.f90 dqij.f90 dtij.f90 \
        dtij1.f90 dvij.f90 energyanalysis.f90 exchcor.f90 excor.f90 \
        excorp.f90 excorpbe.f90 expectation.f90 fcdfatom.f90 fcsepatom.f90 \
        findtpsi.f90 formbprojector.f90 formdensity.f90 formpotential.f90 \
        fourier.f90 ftprod.f90 ftproj.f90 fttphi.f90 globalconstants.f90 \
        interpwf.f90 inwardh.f90 kinetic.f90 kinetic1.f90 laplacian.f90 \
        laplacian1.f90 linsol.f90 logderiv.f90 makeblochl.f90 mkname.f90 \
        modhatpot.f90 modrthomas.f90 nderiv.f90 outwardh.f90 outwardi.f90 \
        overint.f90 overlap.f90 poisson.f90 potential.f90 ranx.f90 \
        rcdfatom.f90 selfhatpot.f90 sepenergyanal.f90 sepnorm.f90 \
        sethatexp.f90 sethatsinc.f90 shift4.f90 smoothtoae.f90 sphbes.f90 \
        thomas.f90 trunk.f90 unboundsch.f90 unboundsep.f90

OBJS =  anderson_realmix.o \
        alanfac.o apoisson.o atompaw.o boundsch.o boundsep.o bsolvtphi.o \
        dfatom.o dqij.o dtij.o dtij1.o dvij.o \
        energyanalysis.o exchcor.o excor.o excorp.o excorpbe.o expectation.o \
        fcdfatom.o fcsepatom.o findtpsi.o formbprojector.o formdensity.o \
        formpotential.o fourier.o ftprod.o ftproj.o fttphi.o \
        globalconstants.o \
        interpwf.o inwardh.o kinetic.o kinetic1.o laplacian.o \
        laplacian1.o linsol.o logderiv.o makeblochl.o mkname.o modhatpot.o \
        modrthomas.o nderiv.o outwardh.o outwardi.o overint.o overlap.o \
        poisson.o potential.o ranx.o rcdfatom.o selfhatpot.o \
        sepenergyanal.o sepnorm.o sethatexp.o sethatsinc.o shift4.o \
        smoothtoae.o sphbes.o thomas.o trunk.o unboundsch.o unboundsep.o
#
# Loader:
#
# The following is for Intel MKL libraries v. 6.1 on Pentium-3 or above
#
# 
LIBS =  mkl_c.lib

#
# Fortran compiler
#
#F90=/cygdrive/c/Progra~1/Intel/Compiler70/IA32/Bin/ifl.exe
F90 =           ifl.exe
#
# Fortran compiler flags
#
# /4Yportlib    enables the use of portability libraries (getarg
#               and maybe other library calls)
# /w            disable warnings
# /O3           more aggressive optimization
# /G6           Pentium Pro, 2, 3  optimization
# /G7           Pentium 4  optimization
#
F90FLAGS =      /O3 /G6 /FR /w
#
# Linker: 
#
#LD=/cygdrive/c/Progra~1/Intel/Compiler70/IA32/Bin/icl.exe
LD  =      icl.exe
LDFLAGS =       /O3

all: $(PROG)

$(PROG): $(OBJS)
        $(LD) $(LDFLAGS) /Fe$@.exe $(OBJS) $(LIBS)

FROZENCORE =    anderson_realmix.o boundsch.o dfatom.o energyanalysis.o\
                excorpbe.o exchcor.o excor.o excorp.o fcdfatom.o \
                frozencore.o globalconstants.o kinetic.o\
                kinetic1.o laplacian1.o\
                laplacian.o nderiv.o overint.o overlap.o poisson.o 
potential.o\
                rcdfatom.o ranx.o shift4.o



frozencore:     $(FROZENCORE)
        $(LD) $(LDFLAGS) /Fefrozencore.exe $(FROZENCORE) $(LIBS)


clean:
        rm -f $(PROG) *.o *.mod frozencore

.SUFFIXES: $(SUFFIXES) .f90

%.o : %.f90
        $(F90) $(F90FLAGS) -c $<
        -mv $*.obj $*.o
 
atompaw.o: globalconstants.o
dfatom.o: anderson_realmix.o
exchcor.o: excorpbe.o globalconstants.o
excor.o: globalconstants.o
excorp.o: globalconstants.o
excorpbe.o: globalconstants.o
fcdfatom.o: anderson_realmix.o
fcsepatom.o: globalconstants.o anderson_realmix.o
formpotential.o: globalconstants.o
frozencore.o: globalconstants.o
potential.o: globalconstants.o
rcdfatom.o: anderson_realmix.o
sethatexp.o: globalconstants.o
sethatsinc.o: globalconstants.o
#!/bin/sh -f

# -------------------------------------------
# Machine-dependent variables
#
# System-dependent Make definitions for cygwin in Windows platform
# and Intel compiler (v.7) - contributed by Lu Fu-Fa, CCIT, Taiwan

# PC Machine: Intel P-3
# Operation System: Microsoft Windows 2000 sp4
# Unixlike Environment in Windows: cygwin
# Compiler: Intel(R) Fortran Compiler, Ver 7.1  Build 20030801z
# Compiler: Intel(R) C++ Compiler, Ver 7.1  Build 20030801z
# MKL Library: Intel(R) Math Kernel Library, Ver6.1
# FFT Library: FFTW package(http://www.fftw.org/),
#              FFTW 2.1.5.(http://www.fftw.org/fftw-2.1.5.tar.gz)
#
#
# Fortran compiler
#
#FC=/cygdrive/c/Progra~1/Intel/Compiler70/IA32/Bin/ifl.exe
FC =            ifl.exe
#
# Fortran compiler flags
#
# /4Yportlib    enables the use of portability libraries (getarg
#               and maybe other library calls)
# /w            disable warnings
# /O3           more aggressive optimization
# /G6           Pentium Pro, 2, 3  optimization
# /G7           Pentium 4  optimization
#
FFLAGS =        /FR /O3 /w
#
# cpp compiler
#
CPP=            /bin/cpp
FLAGS_CPP_=
FFLAGS_LIBS=
#
# Linker: 
#
#LD=/cygdrive/c/Progra~1/Intel/Compiler70/IA32/Bin/icl.exe
LD  =      icl.exe

#====== Sun OS ==============================
#FC =           f90
#CPP=            cpp
#FFLAGS =       -free -O4
#FFLAGS_LIBS=
#FLAGS_CPP_=

#====== Compaq alpha EV67 ===================
#FC =           f90
#CPP=            /usr/bin/cpp
#FFLAGS =       -free -O5 -fast -convert big_endian -tune host
#FFLAGS_LIBS=
#FLAGS_CPP_=

# -------------------------------------------
PROG =  atompaw2abinit

# -------------------------------------------
SRCS = atompaw2abinit.f calc_dij0.f calc_hatden.f calc_kij.f \
       calc_psden.f calc_qijl.f calc_rhoij0.f calc_shapef.f \
       calc_tcore.f calc_vhnzc.f calc_vhtnzc.f ctrap.f \
       exchcor_atom.f factorial.f gaunt.f initpawps1.f \
       initpawps2.f nderiv.f permutations.f poisson.f \
       poisson.f2 realgaunt.f rdpawps1.f rdpawps2.f wrpawps.f

OBJS = atompaw2abinit.o  calc_dij0.o calc_hatden.o calc_kij.o \
       calc_psden.o calc_qijl.o calc_rhoij0.o calc_shapef.o \
       calc_tcore.o calc_vhnzc.o calc_vhtnzc.o ctrap.o \
       exchcor_atom.o factorial.o gaunt.o initpawps1.o \
       initpawps2.o nderiv.o permutations.o poisson.o \
       poisson2.o realgaunt.o rdpawps1.o rdpawps2.o wrpawps.o

SRCS_DEFS = defs_basis.f defs_excor.f defs_mach.f defs_pawps.f

OBJS_DEFS = defs_basis.o defs_excor.o defs_mach.o defs_pawps.o

# -------------------------------------------
all: $(PROG)

$(PROG): $(OBJS_DEFS) $(OBJS)
        $(LD) $(FFLAGS) $(FFLAGS_LIBS) /Fe$@.exe $(OBJS_DEFS) $(OBJS)

clean:
        rm -f $(PROG) $(OBJS_DEFS) $(OBJS) *.mod

# -------------------------------------------
.SUFFIXES: .o .f

.f.o:
        rm -f $*_cpp.f ; \
         $(CPP) $(FLAGS_CPP) $*.f > $*_cpp.f ; \
         $(FC) $(FFLAGS) -c $*_cpp.f ; \
         mv $*_cpp.obj $*.o ; \
         rm $*_cpp.f