src/Makefile

   1
   2 MAKE = make
   3 AR = ar
   4
   5 include ../make.inc
   6
   7 #-------------------------------------------------------------------------------
   8 # Suffix rules
   9 #-------------------------------------------------------------------------------
  10 .SUFFIXES: .o .f90
  11 .f90.o:
  12         $(F90) $(F90_OPTS) -c $<
  13
  14 #-------------------------------------------------------------------------------
  15 # Source files
  16 #-------------------------------------------------------------------------------
  17 SRC_modules = modmain.f90 modxcifc.f90
  18
  19 SRC_main = main.f90
  20
  21 SRC_routines = \
  22  autoradmt.f90 findprim.f90 findsym.f90 findsymcrys.f90 genppts.f90 rfinp.f90 \
  23  rvfcross.f90 seceqn.f90 symrf.f90 symrfir.f90 wavefmt.f90
  24
  25 SRC_routines_flux = \
  26  elfplot.f90 rhonorm.f90 energy.f90 spinchar.f90 \
  27  zpotclmt.f90 writegeom.f90 nfftifc.f90 zfftifc.f90 allatoms.f90 gridsize.f90 \
  28  poteff.f90 genrmesh.f90 readfermi.f90 potcoul.f90 gensfacgp.f90 checkmt.f90 \
  29  zfinp.f90 match.f90 force.f90 forcek.f90 writeefg.f90 packeff.f90 \
  30  bandchar.f90 findsymlat.f90 \
  31  genlofr.f90 atom.f90 writefermi.f90 writekpts.f90 fsmfield.f90 mossbauer.f90 \
  32  occupy.f90 writelinen.f90 writeinfo.f90 readinput.f90 charge.f90 moment.f90 \
  33  writesym.f90 genidxlo.f90 gencore.f90 addrhocr.f90 gengvec.f90 \
  34  genshtmat.f90 plot1d.f90 plot2d.f90 plot3d.f90 updatpos.f90 writeiad.f90 \
  35  symvect.f90 vecplot.f90 genylmg.f90 linengy.f90 init0.f90 init1.f90 \
  36  gengpvec.f90 genpmat.f90 ggamt.f90 ggair.f90 genveffig.f90 gencfun.f90 \
  37  genapwfr.f90 seceqnfv.f90 seceqnsv.f90 seceqnss.f90 getngkmax.f90 \
  38  dos.f90 rhoinit.f90 potplot.f90 writestate.f90 \
  39  potxc.f90 zpotcoul.f90 gndstate.f90 rhovalk.f90 readstate.f90 bandstr.f90 \
  40  writeeval.f90 rhoplot.f90 gwf2val.f90 gwf2cr.f90 \
  41  rfarray.f90 fermisurf.f90 symrvfir.f90 \
  42  symrvf.f90 symrfmt.f90 wfplot.f90 hmlrad.f90 olprad.f90 olpistl.f90 olpaa.f90 \
  43  olpalo.f90 olplolo.f90 hmlistl.f90 hmlaa.f90 hmlalo.f90 hmllolo.f90 init2.f90 \
  44  writelsj.f90 wavefcr.f90 gdft.f90 gradrf.f90 dbxcplot.f90 effmass.f90 \
  45  projsbf.f90 seceqnhf.f90 writelat.f90 energynn.f90 findigp0.f90 \
  46  writeengy.f90 writechg.f90 writeforce.f90 genjlgpr.f90 findkpt.f90 \
  47  putevalfv.f90 getevalfv.f90 putevalsv.f90 getevalsv.f90 putoccsv.f90 \
  48  getoccsv.f90 putevecfv.f90 getevecfv.f90 putevecsv.f90 getevecsv.f90 \
  49  delevec.f90 genvmatk.f90 genvmat.f90 genwfsv.f90 \
  50  findsymsite.f90 geomplot.f90 hartfock.f90 genkinmat.f90 energykncr.f90 \
  51  zfint.f90 rfpack.f90 rfint.f90 writefsm.f90 genbmatk.f90
  52
  53 SRC_phonon = \
  54  phonon.f90 dyntask.f90 phcell.f90 phdisp.f90 readdyn.f90 dynqtor.f90 \
  55  dynrtoq.f90 dynsymapp.f90 dynsym.f90 dyndiag.f90 phdos.f90 sumrule.f90 \
  56  writephn.f90
  57
  58 SRC_optics = \
  59  writepmat.f90 linopt.f90 linoptk.f90 moke.f90
  60
  61 SRC_advanced = \
  62  vnlrho.f90 vnlrhomt.f90 genwiq2.f90 \
  63  exxengy.f90 exxengyk.f90 oepmain.f90 oepresk.f90 oepvnl.f90 \
  64  oepvnlk.f90 oepmagmt.f90 oepmag.f90 zrhoqint.f90
  65
  66 SRC_LDAU = \
  67  gendmatlu.f90 symdmatlu.f90 genveelu.f90 genvmatlu.f90 writeldapu.f90
  68
  69 SRC_rdmft = \
  70  rdmft.f90 rdmdkdc.f90 rdmminc.f90 rdmvaryc.f90 rdmdedc.f90 rdmdexcdc.f90 \
  71  rdmenergy.f90 rdmengyxc.f90 rdmwritededn.f90 rdmwriteengy.f90 rdmminn.f90 \
  72  rdmvaryn.f90 rdmdedn.f90 rdmdexcdn.f90 rdmvnln.f90 rdmvnlc.f90
  73
  74 SRC_lib = \
  75  euler.f90 wigner3j.f90 gaunt.f90 gauntyry.f90 r3mm.f90 r3mtm.f90 r3mmt.f90 \
  76  r3mv.f90 r3mtv.f90 r3cross.f90 r3dist.f90 r3taxi.f90 r3dot.f90 r3minv.f90 \
  77  r3mdet.f90 r3frac.f90 i3mdet.f90 factnm.f90 factr.f90 hermite.f90 \
  78  brzint.f90 sphcrd.f90 sphcover.f90 erf.f90 clebgor.f90 \
  79  sbessel.f90 sbesseldm.f90 genylm.f90 genrlm.f90 zmatinp.f90 \
  80  lopzflm.f90 sortidx.f90 gcd.f90 zfmtinp.f90 rfmtinp.f90 findband.f90 \
  81  gradzfmt.f90 gradrfmt.f90 ztorflm.f90 rtozflm.f90 zflmconj.f90 rotzflm.f90 \
  82  polynom.f90 sdelta.f90 stheta.f90 sdelta_mp.f90 stheta_mp.f90 sdelta_fd.f90 \
  83  stheta_fd.f90 rdiracint.f90 rdiracdme.f90 rdirac.f90 rschrodint.f90 \
  84  rschroddme.f90 rschrodapp.f90 reciplat.f90 \
  85  connect.f90 \
  86  flushifc.f90 spline.f90 writewiq2.f90 rfinterp.f90 rfmtctof.f90 fderiv.f90 \
  87  mixer.f90 fsmooth.f90 rotaxang.f90 i3minv.f90 rotsu2.f90 z2mm.f90 z2mctm.f90 \
  88  z2mmct.f90
  89
  90 SRC_lib_flux =
  91
  92 SRC_xc = \
  93   xc_pzca.f90 xc_pwca.f90 xc_pbe.f90 xc_am05.f90 xc_xalpha.f90 xc_wc06.f90 \
  94   x_wc06.f90 x_pbe.f90 c_pbe.f90 c_pbe_gcor.f90
  95
  96 SRC = $(SRC_modules) $(SRC_main) $(SRC_routines) $(SRC_routines_flux) \
  97  $(SRC_lib) $(SRC_lib_flux) $(SRC_advanced) $(SRC_phonon) $(SRC_optics) \
  98  $(SRC_xc) $(SRC_LDAU) $(SRC_rdmft)
  99
 100 OBJ = $(SRC:.f90=.o)
 101 EXE = exciting
 102
 103 exciting:       $(OBJ)
 104         $(F90) $(F90_OPTS) -o $(EXE) $(OBJ) $(LIB_LPK) $(LIB_FFT) $(LIB_SYS)
 105
 106 blas:
 107         cd BLAS; $(MAKE); cp blas.a ..
 108
 109 lapack:
 110         cd LAPACK; $(MAKE); cp lapack.a ..
 111
 112 fft:
 113         cd fftlib; $(MAKE); cp fftlib.a ..
 114
 115 xc:
 116         cd xclib; $(MAKE); cp xclib.a ..
 117
 118 all:    blas lapack fft exciting
 119
 120 clean:
 121         rm -f *.o *.mod *~ fort.* ifc* *.gcno gmon.out *.aux *.dvi *.log *.pdf \
 122          *.tex *.toc $(EXE)
 123
 124 cleanall:
 125         cd BLAS; $(MAKE) clean
 126         cd LAPACK; $(MAKE) clean
 127         cd fftlib; $(MAKE) clean
 128         $(MAKE) clean
 129
 130 doc:
 131         ./protex -s $(SRC_main) $(SRC_modules) $(SRC_routines) \
 132          $(SRC_routines_flux) $(SRC_lib) $(SRC_lib_flux) $(SRC_xc) \
 133          $(SRC_advanced) $(SRC_phonon) > exciting.tex
 134          latex exciting;bibtex exciting;latex exciting;latex exciting
 135          dvipdf exciting.dvi
 136
 137 doctemp:
 138         ./protex -s $(SRC_main) $(SRC_routines) $(SRC_advanced)  > exciting.tex
 139         latex exciting
 140
 141 backup:
 142         tar -czf ex.tgz $(SRC) fftlib eos spacegroup species junk BLAS LAPACK \
 143          Makefile notes.txt docs docedit examples protex COPYING README \
 144          exciting.bib depend ../release
 145
 146 VERSION = $$(awk -F"/" '/data version/ {print $$2}' modmain.f90 | sed 's/ //g;s/,/./g')$
 147 RELEASE = ../release/exciting
 148
 149 release:
 150         rm -rf $(RELEASE)
 151         mkdir $(RELEASE)
 152         cd BLAS; $(MAKE) clean
 153         cd LAPACK; $(MAKE) clean
 154         cd fftlib; $(MAKE) clean
 155         cd eos; $(MAKE) clean
 156         cd spacegroup; $(MAKE) clean
 157         cd species; $(MAKE) clean
 158         mkdir $(RELEASE)/src
 159         cp -r BLAS $(RELEASE)/src
 160         cp -r LAPACK $(RELEASE)/src
 161         cp -r fftlib $(RELEASE)/src
 162         cp -r eos $(RELEASE)/src
 163         cp -r spacegroup $(RELEASE)/src
 164         cp -r species $(RELEASE)/src
 165         rm -f $(RELEASE)/src/species/*.in
 166         cp $(SRC) Makefile protex exciting.bib $(RELEASE)/src
 167         cd examples; find . -type f -name *.OUT -exec rm -f {} \;
 168         cd examples; find . -type f -name *~ -exec rm -f {} \;
 169         cp -r examples $(RELEASE)
 170         mkdir $(RELEASE)/species
 171         cp species/*.in $(RELEASE)/species
 172         cp COPYING $(RELEASE)
 173         cp README $(RELEASE)
 174         cp ../Makefile $(RELEASE)
 175         cp ../setup $(RELEASE)
 176         mkdir $(RELEASE)/utilities
 177         cp -r NEdit $(RELEASE)/utilities
 178         $(MAKE) doc
 179         cp exciting.pdf docs/exciting
 180         cd spacegroup;$(MAKE) doc;cp spacegroup.pdf ../docs/spacegroup;$(MAKE) clean
 181         cp -r docs $(RELEASE)
 182         tar -C ../release -czf ../release/exciting-$(VERSION).tgz exciting
 183         cp docs/exciting/exciting.pdf ../release
 184         cp docs/spacegroup/spacegroup.pdf ../release
 185
 186 lines:
 187         cat $(SRC) | wc -l
 188