
#-------------------------------------------------------------------------------
# defaults
#-------------------------------------------------------------------------------
MAKE = make
AR = ar
F90 = f90
F90_OPTS =
F77 = f90
F77_OPTS =
LIB_SYS =
LIB_LPK = lapack.a blas.a
LIB_FFT = fftlib.a
LIB_XC =

include ../make.inc

#-------------------------------------------------------------------------------
# To use MPI parallelism change the variable F90 in elk/make.inc to the MPI
# version of Fortran 90 (usually mpif90). Then comment out the following line
# and run 'make clean' followed by 'make'.
SRC_mpi = mpi_stub.f90
#-------------------------------------------------------------------------------

#-------------------------------------------------------------------------------
SRC_libxc = libxcifc_stub.f90
# To install libxc first download and compile the library, and then copy libxc.a
# to this directory. Then uncomment the following lines and run 'make clean'
# followed by 'make'.
#LIB_XC = libxc.a
#SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90
#-------------------------------------------------------------------------------

# modules
SRC_modules = modmain.f90 $(SRC_mpi) modmpi.f90 $(SRC_libxc) modxcifc.f90 \
 modfxcifc.f90 modldapu.f90 modrdm.f90 modphonon.f90 modscdft.f90 modtest.f90 \
 modrandom.f90 modstore.f90 modpw.f90 modvars.f90

# main program
SRC_main = main.f90

# subroutines and functions
SRC_routines = \
 findprimcell.f90 charge.f90 moment.f90 genppts.f90 rbsht.f90 rfsht.f90 \
 rfinp.f90 rfmtinp.f90 energy.f90 rhonorm.f90 rhocore.f90 energynn.f90 \
 zfmtctof.f90 rfmtctof.f90 init0.f90 init1.f90 init2.f90 init3.f90 init4.f90 \
 hmlrad.f90 olprad.f90 potks.f90 bfieldks.f90 zpotclmt.f90 zpotcoul.f90 \
 writeengy.f90 writechg.f90 ztorflm.f90 rtozflm.f90 potplot.f90 plot1d.f90 \
 plot2d.f90 plot3d.f90 genvsig.f90 findswidth.f90 sphcover.f90 allatoms.f90 \
 zbsht.f90 zfsht.f90 genylm.f90 genrlm.f90 fderiv.f90 fsmooth.f90 zheri.f90 \
 zher2i.f90 lopzflm.f90 potnucl.f90 timesec.f90 rhomag.f90 erf.f90 \
 writestate.f90 readstate.f90 rotaxang.f90 i3minv.f90 i3mdet.f90 i3mtv.f90 \
 r3mv.f90 r3mtv.f90 r3cross.f90 r3minv.f90 r3mdet.f90 r3frac.f90 r3mm.f90 \
 r3mtm.f90 r3mmt.f90 zflmconj.f90 rotzflm.f90 z2mm.f90 z2mctm.f90 z2mmct.f90 \
 rfmtsm.f90 rhomagsm.f90 mae.f90 symmat.f90 genstrain.f90 genshtmat.f90 \
 writeiad.f90 symvect.f90 sbessel.f90 sbesseldm.f90 nuclei.f90 polynom.f90 \
 genstress.f90 writestress.f90 latvstep.f90 zfmtadd.f90 occupy.f90 \
 putoccsv.f90 getoccsv.f90 linengy.f90 writeinfo.f90 readinput.f90 genylmg.f90 \
 writefermi.f90 readfermi.f90 writelinen.f90 writesf.f90 gengvec.f90 \
 wigner3j.f90 wigner6j.f90 clebgor.f90 nfftifc.f90 zfftifc.f90 gridsize.f90 \
 gaunt.f90 gauntyry.f90 sphcrd.f90 wavefmt.f90 brzint.f90 sortidx.f90 \
 factnm.f90 factr.f90 hermite.f90 euler.f90 gcd.f90 fermisurfbxsf.f90 \
 writeeval.f90 match.f90 rhomagsh.f90 mixpack.f90 readspecies.f90 delevec.f90 \
 rdiracint.f90 rdiracdme.f90 rdirac.f90 spline.f90 rschrodint.f90 \
 rschroddme.f90 rschrodapp.f90 rfinterp.f90 gencore.f90 genhvec.f90 \
 writelat.f90 findigp0.f90 writeforces.f90 genjlgpr.f90 pade.f90 symmetry.f90 \
 findsym.f90 findsymcrys.f90 findsymsite.f90 writekpts.f90 reciplat.f90 \
 olpistl.f90 olpaa.f90 olpalo.f90 olplolo.f90 hmlistl.f90 hmlaa.f90 hmlalo.f90 \
 hmllolo.f90 writefsm.f90 connect.f90 flushifc.f90 testcheck.f90 checkfsm.f90 \
 atom.f90 fsmfield.f90 geomopt.f90 atpstep.f90 bandstr.f90 findsymlat.f90 \
 findkpt.f90 putevalfv.f90 getevalfv.f90 mixerifc.f90 axangsu2.f90 wfplot.f90 \
 genwiq2.f90 writewiq2.f90 writeefg.f90 gensocfr.f90 nesting.f90 checkmt.f90 \
 mtdmin.f90 putevalsv.f90 getevalsv.f90 dos.f90 putevecfv.f90 getevecfv.f90 \
 putevecsv.f90 getevecsv.f90 fermisurf.f90 writesym.f90 genidxlo.f90 \
 addlorbcnd.f90 genlofr.f90 genapwfr.f90 sdelta.f90 stheta.f90 sdelta_mp.f90 \
 stheta_mp.f90 sdelta_fd.f90 stheta_fd.f90 sdelta_sq.f90 stheta_sq.f90 \
 sdelta_lr.f90 stheta_lr.f90 vecfbz.f90 mixadapt.f90 mixpulay.f90 \
 mixbroyden.f90 ylmrot.f90 ylmroty.f90 rlmrot.f90 rotrflm.f90 radnucl.f90 \
 findngkmax.f90 zgerci.f90 gencfun.f90 writegeom.f90 genrmesh.f90 effmass.f90 \
 mossbauer.f90 findband.f90 compton.f90 geomplot.f90 genlmirep.f90 \
 gndstate.f90 genjlgq0r.f90 findqpt.f90 ssfext.f90 sstask.f90 spiralsc.f90 \
 genscss.f90 findscq.f90 writeqpts.f90 writelsj.f90 getcf2pt.f90 \
 dielectric.f90 nonlinopt.f90 vecplot.f90 gengkvec.f90 wfcrplot.f90 rfpack.f90 \
 rfint.f90 energykncr.f90 rhoplot.f90 genwfsv.f90 genwfsvp.f90 seceqn.f90 \
 seceqnfv.f90 seceqnfvz.f90 seceqnfvr.f90 seceqnit.f90 seceqnsv.f90 \
 seceqnss.f90 genevfsv.f90 zfinp.f90 zfmtinp.f90 rhoinit.f90 grad2rfmt.f90 \
 gendmat.f90 symdmat.f90 gensdmat.f90 ggamt_1.f90 ggair_1.f90 ggamt_sp_1.f90 \
 ggair_sp_1.f90 ggamt_2a.f90 ggair_2a.f90 ggamt_2b.f90 ggair_2b.f90 \
 ggamt_sp_2a.f90 ggair_sp_2a.f90 ggamt_sp_2b.f90 ggair_sp_2b.f90 \
 genspecies.f90 writeemd.f90 gensfacgp.f90 rhomagk.f90 wavefcr.f90 exxengy.f90 \
 exxengyk.f90 zfmtmul1.f90 zfmtmul2.f90 seceqnhf.f90 genzvclmt.f90 elnes.f90 \
 potefield.f90 genffacgp.f90 gentau.f90 gentauk.f90 gentaucr.f90 genzrho.f90 \
 potcoul.f90 rtozfmt.f90 ztorfmt.f90 xc_c_tb09.f90 rfirvec.f90 elfplot.f90 \
 genexpmt.f90 gradzfmt.f90 gradrfmt.f90 gradzf.f90 gradrf.f90 projsbf.f90 \
 genpmat.f90 writepmat.f90 getpmat.f90 gengqrf.f90 moke.f90 sfacinit.f90 \
 sfacrho.f90 sfacmag.f90 gradwf2.f90 gradwfcr2.f90 force.f90 forcek.f90 \
 symrf.f90 symrfir.f90 symrvfir.f90 symrvf.f90 potxc.f90 oepmain.f90 \
 oepresk.f90 oepvnl.f90 oepvnlk.f90 genvchi0.f90 genspchi0.f90 epsinv_rpa.f90 \
 dbxcplot.f90 genvmat.f90 genvmatk.f90 vnlcore.f90 genzmagmt.f90 genzmag.f90 \
 zftrf.f90 zftzf.f90 writehmlbse.f90 hmlxbse.f90 hmlxbsek.f90 hmldbse.f90 \
 hmldbsek.f90 dielectric_bse.f90 genidxbse.f90 writeevbse.f90 hartfock.f90 \
 hflocal.f90 genkmatc.f90 zrhogp.f90 genwfpw.f90 writewfpw.f90 getwfpw.f90 \
 genbmatk.f90 genexpmat.f90 writeexpmat.f90 rvfcross.f90 rfarray.f90

SRC_phonon = \
 phononsc.f90 dyntask.f90 genscph.f90 phdisp.f90 readdyn.f90 dynqtor.f90 \
 dynrtoq.f90 dynsymapp.f90 dynsym.f90 dyndiag.f90 phdos.f90 sumrule.f90 \
 writephn.f90 phfext.f90 writegamma.f90 readgamma.f90 phlwidth.f90 alpha2f.f90 \
 writelambda.f90 phscdelete.f90 ephcouple.f90 genephmat.f90 eliashberg.f90 \
 phdvs.f90 writedvs.f90 readdvs.f90 readalpha2f.f90 mcmillan.f90 phonon.f90 \
 dforce.f90 dmatch.f90 dhmlaa.f90 dhmlalo.f90 dhmllolo.f90 dhmlistl.f90 \
 dolpaa.f90 dolpalo.f90 dolpistl.f90 putdevalfv.f90 getdevalfv.f90 dhmlrad.f90 \
 putdevecfv.f90 getdevecfv.f90 putdevecsv.f90 getdevecsv.f90 dseceqnfv.f90 \
 gendcfun.f90 dwavefmt.f90 gendsocfr.f90 dpotcoul.f90 dpotxc.f90 gendvsig.f90 \
 dpotks.f90 phmixpack.f90 zfpack.f90 gendwfsv.f90 drhomagk.f90 gradrhomt.f90 \
 phdelete.f90 gengvsmt.f90 dforcek.f90 hmlaaq.f90 hmlaloq.f90 olpaaq.f90 \
 olpaloq.f90

SRC_SCDFT = \
 hmlbdg.f90 seceqnbdg.f90 scdft.f90 genachi.f90 bdginv.f90 achiinit.f90 \
 genidxbdg.f90

SRC_LDAU = \
 gendmatlu.f90 genveelu.f90 genvmatlu.f90 writeldapu.f90 readalphalu.f90 \
 tensmom.f90  dm2tensmom.f90  tensmomengy.f90 dmplz.f90 fluykwa.f90 \
 fluykwa0.f90 genflufr.f90 engyflu.f90 writeengyflu.f90 zbessela.f90 \
 zbesselb.f90 readdmatlu.f90 genflu.f90 findlambdalu.f90 readflu.f90 \
 writetensmom.f90

SRC_RDMFT = \
 rdmft.f90 rdmdkdc.f90 rdmminc.f90 rdmvaryc.f90 rdmdedc.f90 rdmenergy.f90 \
 rdmengyxc.f90 rdmwritededn.f90 rdmwriteengy.f90 rdmminn.f90 rdmvaryn.f90 \
 rdmdedn.f90 rdmdexcdn.f90 genvnlijji.f90 genvnlijjk.f90 getvnlijji.f90 \
 getvnlijjk.f90 writevnlijji.f90 writevnlijjk.f90 rdmdexcdc.f90 rdmdtsdn.f90 \
 rdmentropy.f90 rdmeval.f90

SRC_TDDFT = tddftlr.f90 genvfxc.f90 genfxcr.f90 genspfxcr.f90 genvfxcg.f90 \
 tddftsplr.f90 genspfxcg.f90

SRC_xc = \
  xc_pzca.f90 xc_pwca.f90 xc_pbe.f90 xc_am05.f90 xc_xalpha.f90 xc_wc06.f90 \
  x_wc06.f90 x_pbe.f90 c_pbe.f90 c_pbe_gcor.f90 xc_vbh.f90 fxc_pwca.f90

SRC = $(SRC_modules) $(SRC_main) $(SRC_routines) $(SRC_phonon) \
 $(SRC_SCDFT) $(SRC_xc) $(SRC_LDAU) $(SRC_RDMFT) $(SRC_TDDFT)

OBJ = $(SRC:.f90=.o)
EXE = elk

#-------------------------------------------------------------------------------
# Suffix rules
#-------------------------------------------------------------------------------
.SUFFIXES: .o .f90
.f90.o:
	$(F90) $(F90_OPTS) -c $<

#-------------------------------------------------------------------------------
# Targets
#-------------------------------------------------------------------------------
elk:	$(OBJ)
	$(F90) $(F90_OPTS) -o $(EXE) $(OBJ) $(LIB_LPK) $(LIB_FFT) $(LIB_XC) \
         $(LIB_SYS)

blas:
	cd BLAS; $(MAKE); cp blas.a ..

lapack:
	cd LAPACK; $(MAKE); cp lapack.a ..

fft:
	cd fftlib; $(MAKE); cp fftlib.a ..

all:	blas lapack fft elk

clean:
	rm -f *.o *.mod *~ ifc* *.gcno gmon.out *.aux *.dvi *.log \
         elk.pdf *.tex *.toc $(EXE)

cleanall:
	cd BLAS; $(MAKE) clean
	cd LAPACK; $(MAKE) clean
	cd fftlib; $(MAKE) clean
	$(MAKE) clean

doc:
	rm -f elk.aux elk.bbl elk.blg elk.log elk.pdf elk.tex elk.toc elk.lst
	ls $(SRC_modules) $(SRC_routines) $(SRC_xc) $(SRC_phonon) $(SRC_LDAU) \
         $(SRC_RDMFT) $(SRC_TDDFT) > elk.lst
	./protex -F -s $(SRC_main) $$(cat elk.lst) > elk.tex
	pdflatex elk;pdflatex elk;pdflatex elk

backup:
	tar -czf elk.tgz *.f90 fftlib eos spacegroup junk BLAS LAPACK \
         Makefile notes.txt ../docs ../examples ../tests protex ../COPYING \
         ../README elk_silhouette.pdf depend gentest genalltests \
         checklist.txt rmspaces grepelk

VERSION = $$(awk -F"/" '/data version/ {print $$2}' modmain.f90 | sed 's/ //g;s/,/./g')$
NAME = elk-$(VERSION)
RELEASE = ../release/$(NAME)

release:
	rm -rf $(RELEASE)
	mkdir $(RELEASE)
	cd BLAS; $(MAKE) clean
	cd LAPACK; $(MAKE) clean
	cd fftlib; $(MAKE) clean
	cd eos; $(MAKE) clean
	cd spacegroup; $(MAKE) clean
	cd ..; find . -type f -name *~ -exec rm -f {} \;
	cd ..; find . -type f -name gmon.out -exec rm -f {} \;
	cd ..; find . -type f -name RUNNING -exec rm -f {} \;
	mkdir $(RELEASE)/src
	cp -r BLAS $(RELEASE)/src
	cp -r LAPACK $(RELEASE)/src
	cp -r fftlib $(RELEASE)/src
	cp -r eos $(RELEASE)/src
	cp -r spacegroup $(RELEASE)/src
	cp $(SRC) Makefile protex elk_silhouette.pdf $(RELEASE)/src
	cp libxc_funcs.f90 libxc.f90 libxcifc.f90 $(RELEASE)/src
	cp -r ../examples $(RELEASE)
	cp -r ../tests $(RELEASE)
	mkdir $(RELEASE)/species
	cp ../species/*.in $(RELEASE)/species
	cp -r ../utilities $(RELEASE)
	cp ../COPYING $(RELEASE)
	cp ../README $(RELEASE)
	cp ../release_notes.txt $(RELEASE)
	cp ../Makefile $(RELEASE)
	cp ../setup $(RELEASE)
	$(MAKE) doc
	cp elk.pdf ../docs
	cd spacegroup;$(MAKE) doc;cp spacegroup.pdf ../../docs;$(MAKE) clean
	cp -r ../docs $(RELEASE)
	tar -C ../release -czf ../release/$(NAME).tgz $(NAME)
	cp ../docs/elk.pdf ../release
	cp ../docs/spacegroup.pdf ../release

lines:
	cat $(SRC) | wc -l

spaces:
	./rmspaces $(SRC)

