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All makefiles simplified, make.depend updated, fixed an inconsistency in 

XSpectra coming from recent changes


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6379 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2010-02-09 15:21:51 +00:00
parent c476c3f887
commit c22a10cc2f
21 changed files with 104 additions and 856 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

104
CPV/Makefile
View File

@ -14,8 +14,6 @@ cg.o \
cg_sub.o \
cglib.o \
chargedensity.o \
compute_fes_grads.o \
compute_scf.o \
cp_autopilot.o \
cp_emass.o \
cp_fpmd.o \
@ -84,89 +82,16 @@ wf.o
LOBJS = \
entropy.o
MODULES = \
../Modules/atom.o \
../Modules/autopilot.o \
../Modules/basic_algebra_routines.o \
../Modules/berry_phase.o \
../Modules/cell_base.o \
../Modules/check_stop.o \
../Modules/clocks.o \
../Modules/constants.o \
../Modules/constraints_module.o \
../Modules/control_flags.o \
../Modules/descriptors.o \
../Modules/dspev_drv.o \
../Modules/electrons_base.o \
../Modules/energies.o \
../Modules/environment.o \
../Modules/error_handler.o \
../Modules/fft_base.o \
../Modules/fft_parallel.o \
../Modules/fft_scalar.o \
../Modules/fft_types.o \
../Modules/functionals.o \
../Modules/griddim.o \
../Modules/input_parameters.o \
../Modules/io_files.o \
../Modules/io_global.o \
../Modules/ions_base.o \
../Modules/ions_nose.o \
../Modules/kind.o \
../Modules/mp_global.o \
../Modules/mp_wave.o \
../Modules/mp.o \
../Modules/mp_base.o \
../Modules/metadyn_base.o \
../Modules/metadyn_io.o \
../Modules/metadyn_vars.o \
../Modules/path_base.o \
../Modules/path_formats.o \
../Modules/path_variables.o \
../Modules/path_opt_routines.o \
../Modules/path_io_routines.o \
../Modules/path_reparametrisation.o \
../Modules/parallel_include.o \
../Modules/parameters.o \
../Modules/parser.o \
../Modules/printout_base.o \
../Modules/pseudo_types.o \
../Modules/ptoolkit.o \
../Modules/radial_grids.o \
../Modules/random_numbers.o \
../Modules/read_upf_v1.o \
../Modules/read_upf_v2.o \
../Modules/read_cards.o \
../Modules/read_namelists.o \
../Modules/read_uspp.o \
../Modules/recvec.o \
../Modules/sic.o \
../Modules/smallbox.o \
../Modules/splinelib.o \
../Modules/stick_base.o \
../Modules/task_groups.o \
../Modules/timestep.o \
../Modules/upf_to_internal.o \
../Modules/upf.o \
../Modules/uspp.o \
../Modules/version.o \
../Modules/wavefunctions.o \
../Modules/wave_base.o \
../Modules/write_upf_v2.o \
../Modules/xml_input.o \
../Modules/xml_io_base.o \
../Modules/zhpev_drv.o \
../Modules/wannier_new.o \
../Modules/wrappers.o
QEMODS=../Modules/libqemod.a
TLDEPS= bindir mods libs libiotk
all : cp
cp : tldeps libcp.a cp.x cppp.x
cp.x : cprstart.o libcp.a $(LIBOBJS)
$(LD) $(LDFLAGS) -o cp.x \
cprstart.o $(MODULES) libcp.a $(LIBOBJS) $(LIBS)
cp.x : cprstart.o compute_fes_grads.o compute_scf.o libcp.a $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o cp.x cprstart.o compute_fes_grads.o compute_scf.o \
libcp.a $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../CPV/cp.x . )
libcp.a : $(FOBJS) $(LOBJS)
@ -179,25 +104,8 @@ cpver.h :
echo "CHARACTER(LEN=70), PARAMETER :: version_date = '"`date`"'" \
> cpver.h
PPOBJS = \
../Modules/xml_io_base.o \
../Modules/mp.o \
../Modules/mp_base.o \
../Modules/mp_global.o \
../Modules/io_global.o \
../Modules/io_files.o \
../Modules/mp_wave.o \
../Modules/parser.o \
../Modules/kind.o \
../Modules/control_flags.o \
../Modules/parameters.o \
../Modules/parallel_include.o \
../Modules/error_handler.o \
../Modules/constants.o \
../Modules/wrappers.o
cppp.x : fpmdpp.o $(PPOBJS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o cppp.x fpmdpp.o $(PPOBJS) $(LIBOBJS) $(LIBS)
cppp.x : fpmdpp.o $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o cppp.x fpmdpp.o $(QEMODS) $(LIBOBJS) $(LIBS)
- (cd ../bin ; ln -fs ../CPV/cppp.x . )
tldeps:

4
CPV/make.depend
View File

@ -81,7 +81,6 @@ chargedensity.o : cp_interfaces.o
chargedensity.o : mainvar.o
chargedensity.o : modules.o
chargedensity.o : wannier_base.o
compute_fes_grads.o : ../Modules/basic_algebra_routines.o
compute_fes_grads.o : ../Modules/cell_base.o
compute_fes_grads.o : ../Modules/check_stop.o
compute_fes_grads.o : ../Modules/constants.o
@ -100,7 +99,6 @@ compute_fes_grads.o : ../Modules/mp_global.o
compute_fes_grads.o : ../Modules/path_formats.o
compute_fes_grads.o : ../Modules/path_io_routines.o
compute_fes_grads.o : ../Modules/path_variables.o
compute_fes_grads.o : ../Modules/timestep.o
compute_fes_grads.o : ../Modules/wave_base.o
compute_fes_grads.o : ../Modules/xml_io_base.o
compute_fes_grads.o : input.o
@ -557,10 +555,8 @@ ksstates.o : ../Modules/mp_global.o
ksstates.o : ../Modules/recvec.o
ksstates.o : ../Modules/xml_io_base.o
ksstates.o : cp_interfaces.o
main_loops.o : ../Modules/control_flags.o
main_loops.o : ../Modules/ions_base.o
main_loops.o : ../Modules/kind.o
main_loops.o : ../Modules/metadyn_base.o
main_loops.o : ../Modules/path_base.o
main_loops.o : ../Modules/path_io_routines.o
main_loops.o : path_routines.o

72
D3/Makefile
View File

@ -63,79 +63,17 @@ write_igk.o \
writed3dyn_5.o
PHOBJS = ../PH/libph.a
MODULES = \
../Modules/atom.o \
../Modules/basic_algebra_routines.o \
../Modules/cell_base.o \
../Modules/clocks.o \
../Modules/check_stop.o \
../Modules/constants.o \
../Modules/control_flags.o \
../Modules/constraints_module.o \
../Modules/descriptors.o \
../Modules/dspev_drv.o \
../Modules/electrons_base.o \
../Modules/environment.o \
../Modules/error_handler.o \
../Modules/fft_base.o \
../Modules/fft_parallel.o \
../Modules/fft_scalar.o \
../Modules/fft_types.o \
../Modules/functionals.o \
../Modules/io_files.o \
../Modules/io_global.o \
../Modules/ions_base.o \
../Modules/input_parameters.o \
../Modules/kind.o \
../Modules/metadyn_vars.o \
../Modules/mp_global.o \
../Modules/mp_wave.o \
../Modules/mp.o \
../Modules/mp_base.o \
../Modules/parallel_include.o \
../Modules/parameters.o \
../Modules/parser.o \
../Modules/path_io_routines.o \
../Modules/path_reparametrisation.o \
../Modules/path_variables.o \
../Modules/paw_variables.o \
../Modules/printout_base.o \
../Modules/pseudo_types.o \
../Modules/ptoolkit.o \
../Modules/radial_grids.o \
../Modules/random_numbers.o \
../Modules/read_ncpp.o \
../Modules/read_upf_v1.o \
../Modules/read_upf_v2.o \
../Modules/read_uspp.o \
../Modules/recvec.o \
../Modules/task_groups.o \
../Modules/splinelib.o \
../Modules/stick_base.o \
../Modules/upf_to_internal.o \
../Modules/uspp.o \
../Modules/timestep.o \
../Modules/version.o \
../Modules/upf.o \
../Modules/wavefunctions.o \
../Modules/write_upf_v2.o \
../Modules/xml_io_base.o \
../Modules/zhpev_drv.o \
../Modules/wannier_new.o \
../Modules/wrappers.o \
../Modules/ws_base.o
EEMODS=../EE/ee_mod.o ../EE/gcoarse_mod.o
EEOBJS=../EE/libee.a
PWOBJS = ../PW/libpw.a
QEMODS = ../Modules/libqemod.a
TLDEPS= bindir mods libs pw ph
all : tldeps d3.x
d3.x : $(D3OBJS) $(PHOBJS) $(PWOBJS) $(MODULES) $(EEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o d3.x $(D3OBJS) $(MODULES) $(EEMODS) $(PHOBJS) $(PWOBJS) $(LIBOBJS) $(LIBS)
d3.x : $(D3OBJS) $(PHOBJS) $(PWOBJS) $(QEMODS) $(EEOBJS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o d3.x $(D3OBJS) \
$(PHOBJS) $(PWOBJS) $(EEOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../D3/d3.x . )
tldeps:
test -n "$(TLDEPS)" && ( cd .. ; $(MAKE) $(MFLAGS) $(TLDEPS) || exit 1) || :

83
GIPAW/Makefile
View File

@ -32,83 +32,8 @@ g_tensor_crystal.o \
write_tensor_field.o \
efg.o
MODULES = \
../Modules/atom.o \
../Modules/autopilot.o \
../Modules/basic_algebra_routines.o \
../Modules/berry_phase.o \
../Modules/bfgs_module.o \
../Modules/cell_base.o \
../Modules/check_stop.o \
../Modules/clocks.o \
../Modules/constants.o \
../Modules/constraints_module.o \
../Modules/control_flags.o \
../Modules/descriptors.o \
../Modules/dspev_drv.o \
../Modules/electrons_base.o \
../Modules/environment.o \
../Modules/error_handler.o \
../Modules/fft_base.o \
../Modules/fft_parallel.o \
../Modules/fft_scalar.o \
../Modules/fft_types.o \
../Modules/functionals.o \
../Modules/input_parameters.o \
../Modules/io_files.o \
../Modules/io_global.o \
../Modules/ions_base.o \
../Modules/ions_nose.o \
../Modules/kind.o \
../Modules/metadyn_base.o \
../Modules/metadyn_io.o \
../Modules/metadyn_vars.o \
../Modules/mm_dispersion.o \
../Modules/mp_global.o \
../Modules/mp_wave.o \
../Modules/mp.o \
../Modules/mp_base.o \
../Modules/path_base.o \
../Modules/path_formats.o \
../Modules/path_variables.o \
../Modules/path_opt_routines.o \
../Modules/path_io_routines.o \
../Modules/path_reparametrisation.o \
../Modules/parallel_include.o \
../Modules/parameters.o \
../Modules/parser.o \
../Modules/paw_variables.o \
../Modules/printout_base.o \
../Modules/pseudo_types.o \
../Modules/ptoolkit.o \
../Modules/radial_grids.o \
../Modules/random_numbers.o \
../Modules/read_cards.o \
../Modules/read_namelists.o \
../Modules/read_ncpp.o \
../Modules/read_uspp.o \
../Modules/read_upf_v1.o \
../Modules/read_upf_v2.o \
../Modules/recvec.o \
../Modules/splinelib.o \
../Modules/stick_base.o \
../Modules/task_groups.o \
../Modules/timestep.o \
../Modules/upf_to_internal.o \
../Modules/upf.o \
../Modules/uspp.o \
../Modules/version.o \
../Modules/wannier_new.o \
../Modules/wavefunctions.o \
../Modules/wave_base.o \
../Modules/wrappers.o \
../Modules/write_upf_v2.o \
../Modules/ws_base.o \
../Modules/xml_io_base.o \
../Modules/zhpev_drv.o
EEMODS=../EE/ee_mod.o ../EE/gcoarse_mod.o
QEMODS = ../Modules/libqemod.a
EEOBJS=../EE/libee.a
PWOBJS = ../PW/libpw.a
TLDEPS=bindir pw mods libs libiotk
@ -116,8 +41,8 @@ TLDEPS=bindir pw mods libs libiotk
all : tldeps gipaw.x
gipaw.x : $(GIPAWOBJS) $(PWOBJS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ \
$(GIPAWOBJS) $(MODULES) $(EEMODS) $(PWOBJS) $(LIBOBJS) $(LIBS)
$(LD) $(LDFLAGS) -o $@ $(GIPAWOBJS) \
$(PWOBJS) $(EEOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin; ln -fs ../GIPAW/$@ . )
tldeps:

1
GIPAW/make.depend
View File

@ -105,6 +105,7 @@ gipaw_module.o : ../Modules/parameters.o
gipaw_module.o : ../Modules/splinelib.o
gipaw_module.o : ../Modules/uspp.o
gipaw_module.o : ../PW/buffers.o
gipaw_module.o : ../PW/newd.o
gipaw_module.o : ../PW/noncol.o
gipaw_module.o : ../PW/pwcom.o
gipaw_module.o : ../PW/scf_mod.o

23
GWW/gww/Makefile
View File

@ -43,19 +43,8 @@ start_end.o \
times_gw.o \
vcprim.o
MODULES = \
../../Modules/constants.o \
../../Modules/error_handler.o \
../../Modules/fft_scalar.o \
../../Modules/io_files.o \
../../Modules/io_global.o \
../../Modules/kind.o \
../../Modules/mp.o \
../../Modules/mp_global.o \
../../Modules/mp_base.o \
../../Modules/parallel_include.o
EEMODS=../../EE/ee_mod.o ../../EE/gcoarse_mod.o
QEMODS = ../../Modules/libqemod.a
EEOBJS=../../EE/libee.a
LIBMIN= ../minpack/minpacklib.a
@ -63,14 +52,14 @@ TLDEPS=bindir mods libs libiotk pack
all : tldeps gww.x gww_fit.x
gww.x : gww.o $(GWWOBJS) $(LIBOBJS) $(MODULES) $(EEMODS) $(LIBMIN)
gww.x : gww.o $(GWWOBJS) $(LIBOBJS) $(QEMODS) $(EEMODS) $(LIBMIN)
$(MPIF90) $(LDFLAGS) -o $@ \
gww.o $(GWWOBJS) $(MODULES) $(EEMODS) $(LIBOBJS) $(LIBS) $(LIBMIN)
gww.o $(GWWOBJS) $(EEMODS) $(QEMODS) $(LIBOBJS) $(LIBS) $(LIBMIN)
- ( cd ../../bin; ln -fs ../GWW/gww/$@ . )
gww_fit.x : gww_fit.o $(GWWOBJS) $(LIBOBJS) $(MODULES) $(EEMODS) $(LIBMIN)
gww_fit.x : gww_fit.o $(GWWOBJS) $(LIBOBJS) $(EEMODS) $(QEMODS) $(LIBMIN)
$(MPIF90) $(LDFLAGS) -o $@ \
gww_fit.o $(GWWOBJS) $(MODULES) $(EEMODS) $(LIBOBJS) $(LIBS) $(LIBMIN)
gww_fit.o $(GWWOBJS) $(EEMODS) $(QEMODS) $(LIBOBJS) $(LIBS) $(LIBMIN)
- ( cd ../../bin; ln -fs ../GWW/gww/$@ . )

82
GWW/head/Makefile
View File

@ -26,84 +26,8 @@ phq_init.o \
phq_readin.o \
solve_head.o
MODULES = \
../../Modules/atom.o \
../../Modules/autopilot.o \
../../Modules/basic_algebra_routines.o \
../../Modules/bfgs_module.o \
../../Modules/berry_phase.o \
../../Modules/cell_base.o \
../../Modules/check_stop.o \
../../Modules/clocks.o \
../../Modules/constants.o \
../../Modules/constraints_module.o \
../../Modules/control_flags.o \
../../Modules/coulomb_vcut.o \
../../Modules/descriptors.o \
../../Modules/dspev_drv.o \
../../Modules/electrons_base.o \
../../Modules/environment.o \
../../Modules/error_handler.o \
../../Modules/fft_base.o \
../../Modules/fft_parallel.o \
../../Modules/fft_scalar.o \
../../Modules/fft_types.o \
../../Modules/functionals.o \
../../Modules/input_parameters.o \
../../Modules/io_files.o \
../../Modules/io_global.o \
../../Modules/ions_base.o \
../../Modules/ions_nose.o \
../../Modules/kind.o \
../../Modules/metadyn_base.o \
../../Modules/metadyn_io.o \
../../Modules/metadyn_vars.o \
../../Modules/mm_dispersion.o \
../../Modules/mp_global.o \
../../Modules/mp_wave.o \
../../Modules/mp.o \
../../Modules/mp_base.o \
../../Modules/parallel_include.o \
../../Modules/parameters.o \
../../Modules/parser.o \
../../Modules/path_base.o \
../../Modules/path_formats.o \
../../Modules/path_variables.o \
../../Modules/path_opt_routines.o \
../../Modules/path_io_routines.o \
../../Modules/path_reparametrisation.o \
../../Modules/paw_variables.o \
../../Modules/printout_base.o \
../../Modules/pseudo_types.o \
../../Modules/ptoolkit.o \
../../Modules/radial_grids.o \
../../Modules/random_numbers.o \
../../Modules/read_cards.o \
../../Modules/read_namelists.o \
../../Modules/read_ncpp.o \
../../Modules/read_uspp.o \
../../Modules/read_upf_v1.o \
../../Modules/read_upf_v2.o \
../../Modules/recvec.o \
../../Modules/splinelib.o \
../../Modules/stick_base.o \
../../Modules/task_groups.o \
../../Modules/timestep.o \
../../Modules/upf_to_internal.o \
../../Modules/upf.o \
../../Modules/uspp.o \
../../Modules/version.o \
../../Modules/wavefunctions.o \
../../Modules/wave_base.o \
../../Modules/write_upf_v2.o \
../../Modules/xml_io_base.o \
../../Modules/zhpev_drv.o \
../../Modules/wannier_new.o \
../../Modules/wrappers.o \
../../Modules/ws_base.o
EEMODS= ../../EE/ee_mod.o ../../EE/gcoarse_mod.o
QEMODS = ../../Modules/libqemod.a
EEOBJS= ../../EE/libee.a
LIBPWPH = ../pw4gww/libpw4gww.a ../../PH/libph.a ../../PW/libpw.a
LIBMIN= ../minpack/minpacklib.a
@ -114,7 +38,7 @@ all : tldeps head.x
head.x : head.o $(LIBOBJS) $(HEADOBJS) $(LIBPWPH) $(LIBMIN)
$(LD) $(LDFLAGS) -o head.x head.o \
$(MODULES) $(EEMODS) $(HEADOBJS) $(LIBPWPH) $(LIBOBJS) $(LIBS) $(LIBMIN)
$(HEADOBJS) $(LIBPWPH) $(EEOBJS) $(QEMODS) $(LIBOBJS) $(LIBS) $(LIBMIN)
- ( cd ../../bin ; ln -fs ../GWW/head/head.x . )
tldeps:

84
GWW/pw4gww/Makefile
View File

@ -54,84 +54,8 @@ write_wannier_matrix.o \
write_wannier_matrix_c.o \
write_wannier_products.o
MODULES = \
../../Modules/atom.o \
../../Modules/autopilot.o \
../../Modules/basic_algebra_routines.o \
../../Modules/berry_phase.o \
../../Modules/bfgs_module.o \
../../Modules/cell_base.o \
../../Modules/check_stop.o \
../../Modules/clocks.o \
../../Modules/constants.o \
../../Modules/constraints_module.o \
../../Modules/control_flags.o \
../../Modules/coulomb_vcut.o \
../../Modules/descriptors.o \
../../Modules/dspev_drv.o \
../../Modules/electrons_base.o \
../../Modules/environment.o \
../../Modules/error_handler.o \
../../Modules/fft_base.o \
../../Modules/fft_parallel.o \
../../Modules/fft_scalar.o \
../../Modules/fft_types.o \
../../Modules/functionals.o \
../../Modules/input_parameters.o \
../../Modules/io_files.o \
../../Modules/io_global.o \
../../Modules/ions_base.o \
../../Modules/ions_nose.o \
../../Modules/kind.o \
../../Modules/mm_dispersion.o \
../../Modules/mp_global.o \
../../Modules/mp_wave.o \
../../Modules/mp.o \
../../Modules/mp_base.o \
../../Modules/metadyn_base.o \
../../Modules/metadyn_io.o \
../../Modules/metadyn_vars.o \
../../Modules/path_base.o \
../../Modules/path_formats.o \
../../Modules/path_variables.o \
../../Modules/path_opt_routines.o \
../../Modules/path_io_routines.o \
../../Modules/path_reparametrisation.o \
../../Modules/parallel_include.o \
../../Modules/parameters.o \
../../Modules/parser.o \
../../Modules/paw_variables.o \
../../Modules/printout_base.o \
../../Modules/pseudo_types.o \
../../Modules/ptoolkit.o \
../../Modules/radial_grids.o \
../../Modules/random_numbers.o \
../../Modules/read_cards.o \
../../Modules/read_namelists.o \
../../Modules/read_ncpp.o \
../../Modules/read_upf_v1.o \
../../Modules/read_upf_v2.o \
../../Modules/read_uspp.o \
../../Modules/recvec.o \
../../Modules/splinelib.o \
../../Modules/stick_base.o \
../../Modules/task_groups.o \
../../Modules/timestep.o \
../../Modules/upf_to_internal.o \
../../Modules/uspp.o \
../../Modules/upf.o \
../../Modules/version.o \
../../Modules/wannier_new.o \
../../Modules/wavefunctions.o \
../../Modules/wave_base.o \
../../Modules/wrappers.o \
../../Modules/write_upf_v2.o \
../../Modules/xml_io_base.o \
../../Modules/zhpev_drv.o \
../../Modules/ws_base.o
EEMODS=../../EE/ee_mod.o ../../EE/gcoarse_mod.o
QEMODS = ../../Modules/libqemod.a
EEOBJS=../../EE/libee.a
PWOBJS = ../../PW/libpw.a
LIBMIN= ../minpack/minpacklib.a
@ -140,9 +64,9 @@ TLDEPS= bindir libs pw
all : tldeps pw4gww.x
pw4gww.x : pw4gww.o libpw4gww.a $(PW4GWWOBJS) $(PWOBJS) $(MODULES) $(EEMODS) $(LIBMIN)
pw4gww.x : pw4gww.o libpw4gww.a $(PW4GWWOBJS) $(PWOBJS) $(QEMODS) $(EEOBJS) $(LIBMIN)
$(LD) $(LDFLAGS) -o $@ \
pw4gww.o $(MODULES) $(EEMODS) libpw4gww.a $(PWOBJS) $(LIBOBJS) $(LIBS) $(LIBMIN)
pw4gww.o libpw4gww.a $(PWOBJS) $(EEOBJS) $(QEMODS) $(LIBOBJS) $(LIBS) $(LIBMIN)
- ( cd ../../bin ; ln -fs ../GWW/pw4gww/$@ . )
tldeps:

82
Gamma/Makefile
View File

@ -6,80 +6,6 @@ include ../make.sys
MODFLAGS= $(MOD_FLAG)../iotk/src $(MOD_FLAG)../Modules \
$(MOD_FLAG)../EE $(MOD_FLAG)../PW $(MOD_FLAG).
PWOBJS = ../PW/libpw.a
MODULES = \
../Modules/atom.o \
../Modules/bfgs_module.o \
../Modules/basic_algebra_routines.o \
../Modules/berry_phase.o \
../Modules/cell_base.o \
../Modules/clocks.o \
../Modules/check_stop.o \
../Modules/constants.o \
../Modules/constraints_module.o \
../Modules/control_flags.o \
../Modules/descriptors.o \
../Modules/dspev_drv.o \
../Modules/electrons_base.o \
../Modules/environment.o \
../Modules/error_handler.o \
../Modules/fft_base.o \
../Modules/fft_parallel.o \
../Modules/fft_scalar.o \
../Modules/fft_types.o \
../Modules/functionals.o \
../Modules/input_parameters.o \
../Modules/io_files.o \
../Modules/io_global.o \
../Modules/ions_base.o \
../Modules/kind.o \
../Modules/metadyn_base.o \
../Modules/metadyn_io.o \
../Modules/metadyn_vars.o \
../Modules/mm_dispersion.o \
../Modules/mp_global.o \
../Modules/mp_wave.o \
../Modules/mp.o \
../Modules/mp_base.o \
../Modules/parallel_include.o \
../Modules/parameters.o \
../Modules/parser.o \
../Modules/path_base.o \
../Modules/path_formats.o \
../Modules/path_variables.o \
../Modules/path_opt_routines.o \
../Modules/path_io_routines.o \
../Modules/path_reparametrisation.o \
../Modules/paw_variables.o \
../Modules/printout_base.o \
../Modules/pseudo_types.o \
../Modules/ptoolkit.o \
../Modules/radial_grids.o \
../Modules/random_numbers.o \
../Modules/read_ncpp.o \
../Modules/read_upf_v1.o \
../Modules/read_upf_v2.o \
../Modules/read_uspp.o \
../Modules/recvec.o \
../Modules/task_groups.o \
../Modules/splinelib.o \
../Modules/stick_base.o \
../Modules/timestep.o \
../Modules/upf_to_internal.o \
../Modules/upf.o \
../Modules/uspp.o \
../Modules/version.o \
../Modules/wavefunctions.o \
../Modules/write_upf_v2.o \
../Modules/xml_io_base.o \
../Modules/zhpev_drv.o \
../Modules/wannier_new.o \
../Modules/wrappers.o \
../Modules/ws_base.o
EEMODS=../EE/ee_mod.o ../EE/gcoarse_mod.o
CGOBJS = \
a_h.o \
cg_readin.o \
@ -110,13 +36,17 @@ solve_ph.o \
writedyn.o \
zvscal.o
PWOBJS = ../PW/libpw.a
EEOBJS=../EE/libee.a
QEMODS = ../Modules/libqemod.a
TLDEPS= bindir mods libs pw
all : tldeps phcg.x
phcg.x : $(PWOBJS) $(CGOBJS) $(MODULES) $(EEMODS) $(LIBOBJS)
phcg.x : $(PWOBJS) $(CGOBJS) $(QEMODS) $(EEOBJS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o phcg.x \
$(CGOBJS) $(MODULES) $(EEMODS) $(PWOBJS) $(LIBOBJS) $(LIBS)
$(CGOBJS) $(PWOBJS) $(EEOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../Gamma/phcg.x . )
tldeps:
test -n "$(TLDEPS)" && ( cd .. ; $(MAKE) $(MFLAGS) $(TLDEPS) || exit 1) || :

1
Gamma/make.depend
View File

@ -26,6 +26,7 @@ cg_setup.o : ../Modules/kind.o
cg_setup.o : ../Modules/mp_global.o
cg_setup.o : ../Modules/uspp.o
cg_setup.o : ../Modules/wavefunctions.o
cg_setup.o : ../PW/newd.o
cg_setup.o : ../PW/pwcom.o
cg_setup.o : ../PW/scf_mod.o
cg_setup.o : cgcom.o

97
PH/Makefile
View File

@ -159,84 +159,6 @@ write_rec.o \
zstar_eu.o \
zstar_eu_us.o
MODULES = \
../Modules/atom.o \
../Modules/autopilot.o \
../Modules/basic_algebra_routines.o \
../Modules/bfgs_module.o \
../Modules/berry_phase.o \
../Modules/cell_base.o \
../Modules/check_stop.o \
../Modules/clocks.o \
../Modules/constants.o \
../Modules/constraints_module.o \
../Modules/control_flags.o \
../Modules/coulomb_vcut.o \
../Modules/descriptors.o \
../Modules/dspev_drv.o \
../Modules/electrons_base.o \
../Modules/environment.o \
../Modules/error_handler.o \
../Modules/fft_base.o \
../Modules/fft_parallel.o \
../Modules/fft_scalar.o \
../Modules/fft_types.o \
../Modules/functionals.o \
../Modules/input_parameters.o \
../Modules/io_files.o \
../Modules/io_global.o \
../Modules/ions_base.o \
../Modules/ions_nose.o \
../Modules/kind.o \
../Modules/metadyn_base.o \
../Modules/metadyn_io.o \
../Modules/metadyn_vars.o \
../Modules/mm_dispersion.o \
../Modules/mp_global.o \
../Modules/mp_wave.o \
../Modules/mp.o \
../Modules/mp_base.o \
../Modules/parallel_include.o \
../Modules/parameters.o \
../Modules/parser.o \
../Modules/path_base.o \
../Modules/path_formats.o \
../Modules/path_variables.o \
../Modules/path_opt_routines.o \
../Modules/path_io_routines.o \
../Modules/path_reparametrisation.o \
../Modules/paw_variables.o \
../Modules/printout_base.o \
../Modules/pseudo_types.o \
../Modules/ptoolkit.o \
../Modules/radial_grids.o \
../Modules/random_numbers.o \
../Modules/read_cards.o \
../Modules/read_namelists.o \
../Modules/read_ncpp.o \
../Modules/read_uspp.o \
../Modules/read_upf_v1.o \
../Modules/read_upf_v2.o \
../Modules/recvec.o \
../Modules/splinelib.o \
../Modules/stick_base.o \
../Modules/task_groups.o \
../Modules/timestep.o \
../Modules/upf_to_internal.o \
../Modules/upf.o \
../Modules/uspp.o \
../Modules/version.o \
../Modules/wavefunctions.o \
../Modules/wave_base.o \
../Modules/write_upf_v2.o \
../Modules/xml_io_base.o \
../Modules/zhpev_drv.o \
../Modules/wannier_new.o \
../Modules/wrappers.o \
../Modules/ws_base.o
EEMODS=../EE/ee_mod.o ../EE/gcoarse_mod.o
RAMAN = \
cft_wave.o \
psyme2.o \
@ -258,29 +180,32 @@ dhdrhopsi.o\
set_dvscf.o
PWOBJS = ../PW/libpw.a
EEOBJS=../EE/libee.a
QEMODS = ../Modules/libqemod.a
TLDEPS= bindir mods libs pw
all : tldeps libph.a ph.x dynmat.x matdyn.x q2r.x
ph.x : phonon.o libph.a $(PWOBJS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o ph.x phonon.o \
$(MODULES) $(EEMODS) libph.a $(PWOBJS) $(LIBOBJS) $(LIBS)
$(LD) $(LDFLAGS) -o ph.x phonon.o libph.a \
$(PWOBJS) $(EEOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../PH/ph.x . )
dynmat.x : dynmat.o rigid.o $(PWOBJS) $(MODULES) $(EEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ \
dynmat.o rigid.o $(MODULES) $(EEMODS) $(PWOBJS) $(LIBOBJS) $(LIBS)
$(LD) $(LDFLAGS) -o $@ dynmat.o rigid.o \
$(PWOBJS) $(EEOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../PH/$@ . )
matdyn.x : matdyn.o rigid.o $(PWOBJS) $(MODULES) $(EEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ \
matdyn.o rigid.o $(MODULES) $(EEMODS) $(PWOBJS) $(LIBOBJS) $(LIBS)
$(LD) $(LDFLAGS) -o $@ matdyn.o rigid.o \
$(PWOBJS) $(EEOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../PH/$@ . )
q2r.x : q2r.o rigid.o $(PWOBJS) $(MODULES) $(EEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ \
q2r.o rigid.o $(MODULES) $(EEMODS) $(PWOBJS) $(LIBOBJS) $(LIBS)
$(LD) $(LDFLAGS) -o $@ q2r.o rigid.o \
$(PWOBJS) $(EEOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../PH/$@ . )
tldeps:

3
PH/make.depend
View File

@ -281,6 +281,7 @@ deallocate_phq.o : elph.o
deallocate_phq.o : phcom.o
deallocate_phq.o : ramanm.o
dgradcorr.o : ../Modules/constants.o
dgradcorr.o : ../Modules/control_flags.o
dgradcorr.o : ../Modules/kind.o
dgradcorr.o : ../PW/noncol.o
dgradcorr.o : ../PW/pwcom.o
@ -370,6 +371,7 @@ drhodvus.o : ../PW/pwcom.o
drhodvus.o : phcom.o
dv_of_drho.o : ../Modules/cell_base.o
dv_of_drho.o : ../Modules/constants.o
dv_of_drho.o : ../Modules/control_flags.o
dv_of_drho.o : ../Modules/functionals.o
dv_of_drho.o : ../Modules/kind.o
dv_of_drho.o : ../PW/noncol.o
@ -1144,4 +1146,3 @@ zstar_eu_us.o : ../Modules/wavefunctions.o
zstar_eu_us.o : ../PW/noncol.o
zstar_eu_us.o : ../PW/pwcom.o
zstar_eu_us.o : phcom.o
cgsolve_all_imfreq.o : ../include/f_defs.h

73
PWCOND/Makefile
View File

@ -48,80 +48,17 @@ summary_tran.o \
sunitary.o \
transmit.o
MODULES = \
../Modules/atom.o \
../Modules/basic_algebra_routines.o \
../Modules/berry_phase.o \
../Modules/cell_base.o \
../Modules/clocks.o \
../Modules/check_stop.o \
../Modules/constants.o \
../Modules/constraints_module.o \
../Modules/control_flags.o \
../Modules/descriptors.o \
../Modules/dspev_drv.o \
../Modules/electrons_base.o \
../Modules/environment.o \
../Modules/error_handler.o \
../Modules/fft_base.o \
../Modules/fft_parallel.o \
../Modules/fft_scalar.o \
../Modules/fft_types.o \
../Modules/functionals.o \
../Modules/io_files.o \
../Modules/io_global.o \
../Modules/ions_base.o \
../Modules/input_parameters.o \
../Modules/kind.o \
../Modules/metadyn_vars.o \
../Modules/mp_global.o \
../Modules/mp_wave.o \
../Modules/mp.o \
../Modules/mp_base.o \
../Modules/parallel_include.o \
../Modules/parameters.o \
../Modules/parser.o \
../Modules/path_io_routines.o \
../Modules/path_reparametrisation.o \
../Modules/path_variables.o \
../Modules/paw_variables.o \
../Modules/printout_base.o \
../Modules/pseudo_types.o \
../Modules/ptoolkit.o \
../Modules/random_numbers.o \
../Modules/radial_grids.o \
../Modules/read_ncpp.o \
../Modules/read_upf_v1.o \
../Modules/read_upf_v2.o \
../Modules/read_uspp.o \
../Modules/recvec.o \
../Modules/task_groups.o \
../Modules/splinelib.o \
../Modules/stick_base.o \
../Modules/timestep.o \
../Modules/upf.o \
../Modules/upf_to_internal.o \
../Modules/uspp.o \
../Modules/version.o \
../Modules/wavefunctions.o \
../Modules/write_upf_v2.o \
../Modules/xml_io_base.o \
../Modules/zhpev_drv.o \
../Modules/wannier_new.o \
../Modules/wrappers.o \
../Modules/ws_base.o
EEMODS=../EE/ee_mod.o ../EE/gcoarse_mod.o
PWOBJS = ../PW/libpw.a
EEOBJS=../EE/libee.a
QEMODS = ..//Modules/libqemod.a
TLDEPS= bindir mods libs pw pp
all : tldeps pwcond.x
pwcond.x : $(PWCONDOBJS) $(PWOBJS) $(PPOBJS) $(MODULES) $(EEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o pwcond.x \
$(PWCONDOBJS) $(PPOBJS) $(MODULES) $(EEMODS) $(PWOBJS) $(LIBOBJS) $(LIBS)
pwcond.x : $(PWCONDOBJS) $(PWOBJS) $(PPOBJS) $(QEMODS) $(EEOBJS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o pwcond.x $(PWCONDOBJS) $(PPOBJS) \
$(PWOBJS) $(EEOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../PWCOND/pwcond.x . )
tldeps:

69
VdW/Makefile
View File

@ -26,77 +26,18 @@ vdwcom.o
PPOBJS = \
../PP/openfil_pp.o
MODULES = \
../Modules/atom.o \
../Modules/basic_algebra_routines.o \
../Modules/cell_base.o \
../Modules/check_stop.o \
../Modules/clocks.o \
../Modules/constants.o \
../Modules/constraints_module.o \
../Modules/control_flags.o \
../Modules/descriptors.o \
../Modules/dspev_drv.o \
../Modules/electrons_base.o \
../Modules/environment.o \
../Modules/error_handler.o \
../Modules/fft_base.o \
../Modules/fft_parallel.o \
../Modules/fft_scalar.o \
../Modules/fft_types.o \
../Modules/functionals.o \
../Modules/io_files.o \
../Modules/io_global.o \
../Modules/ions_base.o \
../Modules/input_parameters.o \
../Modules/kind.o \
../Modules/mp_global.o \
../Modules/mp_wave.o \
../Modules/mp.o \
../Modules/mp_base.o \
../Modules/parallel_include.o \
../Modules/parameters.o \
../Modules/parser.o \
../Modules/paw_variables.o \
../Modules/printout_base.o \
../Modules/pseudo_types.o \
../Modules/ptoolkit.o \
../Modules/radial_grids.o \
../Modules/random_numbers.o \
../Modules/read_ncpp.o \
../Modules/read_upf_v1.o \
../Modules/read_upf_v2.o \
../Modules/read_uspp.o \
../Modules/recvec.o \
../Modules/stick_base.o \
../Modules/splinelib.o \
../Modules/task_groups.o \
../Modules/timestep.o \
../Modules/upf.o \
../Modules/upf_to_internal.o \
../Modules/uspp.o \
../Modules/version.o \
../Modules/wavefunctions.o \
../Modules/write_upf_v2.o \
../Modules/xml_io_base.o \
../Modules/zhpev_drv.o \
../Modules/wannier_new.o \
../Modules/wrappers.o \
../Modules/ws_base.o
EEMODS=../EE/ee_mod.o ../EE/gcoarse_mod.o
QEMODS = ../Modules/libqemod.a
EEOBJS=../EE/libee.a
PWOBJS = ../PW/libpw.a
PHOBJS = ../PH/libph.a
TLDEPS= bindir mods libs pw ph pp
all : tldeps vdw.x
vdw.x : vdw.o $(VdWOBJS) $(PPOBJS) $(PWOBJS) $(PHOBJS) $(MODULES) $(EEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ \
vdw.o $(VdWOBJS) $(MODULES) $(EEMODS) $(PPOBJS) $(PHOBJS) $(PWOBJS) \
vdw.x : vdw.o $(VdWOBJS) $(PPOBJS) $(PWOBJS) $(PHOBJS) $(QEMODS) $(EEOBJS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ vdw.o \
$(VdWOBJS) $(PPOBJS) $(PHOBJS) $(PWOBJS) $(EEOBJS) $(QEMODS) \
$(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../VdW/$@ . )

76
XSpectra/Makefile
View File

@ -19,83 +19,23 @@ PPOBJS = \
../PP/openfil_pp.o\
../PP/stop_pp.o
MODULES = \
../Modules/atom.o \
../Modules/cell_base.o \
../Modules/check_stop.o \
../Modules/clocks.o \
../Modules/constants.o \
../Modules/control_flags.o \
../Modules/fft_base.o \
../Modules/fft_scalar.o \
../Modules/fft_types.o \
../Modules/functionals.o \
../Modules/environment.o \
../Modules/input_parameters.o \
../Modules/io_files.o \
../Modules/io_global.o \
../Modules/ions_base.o \
../Modules/kind.o \
../Modules/metadyn_vars.o \
../Modules/mp_global.o \
../Modules/mp_wave.o \
../Modules/mp.o \
../Modules/parallel_include.o \
../Modules/parameters.o \
../Modules/parser.o \
../Modules/path_io_routines.o \
../Modules/path_reparametrisation.o \
../Modules/path_variables.o \
../Modules/ptoolkit.o \
../Modules/printout_base.o \
../Modules/pseudo_types.o \
../Modules/random_numbers.o \
../Modules/read_upf_v1.o \
../Modules/read_upf_v2.o \
../Modules/read_uspp.o \
../Modules/recvec.o \
../Modules/splinelib.o \
../Modules/stick_base.o \
../Modules/task_groups.o \
../Modules/timestep.o \
../Modules/uspp.o \
../Modules/version.o \
../Modules/wavefunctions.o \
../Modules/wrappers.o \
../Modules/xml_io_base.o \
../Modules/error_handler.o \
../Modules/paw_variables.o \
../Modules/mp_base.o \
../Modules/basic_algebra_routines.o \
../Modules/fft_parallel.o\
../Modules/constraints_module.o \
../Modules/radial_grids.o \
../Modules/upf_to_internal.o \
../Modules/zhpev_drv.o \
../Modules/electrons_base.o \
../Modules/descriptors.o \
../Modules/dspev_drv.o \
../Modules/upf.o \
../Modules/read_ncpp.o \
../Modules/write_upf_v2.o \
../Modules/ws_base.o \
../Modules/wannier_new.o
PWOBJS = ../PW/libpw.a \
../GIPAW/paw_gipaw.o \
GIPAWOBJS=../GIPAW/paw_gipaw.o \
../GIPAW/init_gipaw_1.o \
../GIPAW/init_gipaw_2.o
EEMODS=../EE/ee_mod.o ../EE/gcoarse_mod.o
QEMODS = ../Modules/libqemod.a
PWOBJS = ../PW/libpw.a
EEOBJS = ../EE/libee.a
all : xspectra.x
xspectra.x : xspectra.o $(XOBJS)
$(MPIF90) -o $@ xspectra.o $(XOBJS) $(PPOBJS) $(PWOBJS) $(MODULES) $(EEMODS) $(LDFLAGS) $(LIBOBJS) $(LIBS)
xspectra.x : xspectra.o $(XOBJS) $(GIPAWOBJS) $(QEMODS) $(PWOBJS)
$(MPIF90) -o $@ xspectra.o $(XOBJS) $(PPOBJS) $(GIPAWOBJS) \
$(PWOBJS) $(EEOBJS) $(QEMODS) $(LDFLAGS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../XSpectra/$@ . )
clean :
- /bin/rm -f *.x *.o *~ *.F90 *.d *.mod *.i work.pc
- /bin/rm -f *.x *.o *~ *.F90 *.d *.mod *.i *.L
include make.depend
# DO NOT DELETE

2
XSpectra/make.depend
View File

@ -9,7 +9,6 @@ init_xspectra_ldau.o : ../Modules/uspp.o
init_xspectra_ldau.o : ../PW/becmod.o
init_xspectra_ldau.o : ../PW/noncol.o
init_xspectra_ldau.o : ../PW/pwcom.o
init_xspectra_ldau.o : ../PW/symme.o
init_xspectra_ldau.o : xspectra_mod.o
ipoolscatter.o : ../Modules/kind.o
ipoolscatter.o : ../Modules/mp.o
@ -46,6 +45,7 @@ read_file_xspectra.o : ../Modules/uspp.o
read_file_xspectra.o : ../Modules/wavefunctions.o
read_file_xspectra.o : ../Modules/xml_io_base.o
read_file_xspectra.o : ../PW/buffers.o
read_file_xspectra.o : ../PW/newd.o
read_file_xspectra.o : ../PW/noncol.o
read_file_xspectra.o : ../PW/paw_init.o
read_file_xspectra.o : ../PW/paw_onecenter.o

1
XSpectra/read_file_xspectra.f90
View File

@ -46,6 +46,7 @@ SUBROUTINE read_file_xspectra(xread_wf)
USE paw_onecenter, ONLY : paw_potential
USE paw_init, ONLY : paw_init_onecenter, allocate_paw_internals
USE ldaU, ONLY : eth
USE dfunct, ONLY : newd
!<CG>
USE paw_gipaw, ONLY : set_paw_upf
!</CG>

38
atomic/Makefile
View File

@ -104,49 +104,17 @@ atomic_paw.o \
ld1inc.o \
parameters.o
MODULES = \
../Modules/atom.o \
../Modules/cell_base.o \
../Modules/clocks.o \
../Modules/constants.o \
../Modules/control_flags.o \
../Modules/environment.o \
../Modules/error_handler.o \
../Modules/functionals.o \
../Modules/io_global.o \
../Modules/kind.o \
../Modules/ions_base.o \
../Modules/io_files.o \
../Modules/paw_variables.o \
../Modules/pseudo_types.o \
../Modules/radial_grids.o \
../Modules/read_upf_v1.o \
../Modules/read_upf_v2.o \
../Modules/random_numbers.o \
../Modules/timestep.o \
../Modules/version.o \
../Modules/parameters.o \
../Modules/parallel_include.o \
../Modules/parser.o \
../Modules/mp_global.o \
../Modules/mp.o \
../Modules/mp_base.o \
../Modules/fft_base.o \
../Modules/fft_types.o \
../Modules/uspp.o \
../Modules/upf.o \
../Modules/write_upf_v2.o
QEMODS=../Modules/libqemod.a
TLDEPS= bindir mods libs
all: tldeps ld1.x
ld1.x: $(LD1OBJS) ld1.o $(LD1MODS) $(MODULES) $(LIBOBJS)
ld1.x: $(LD1OBJS) ld1.o $(LD1MODS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o ld1.x \
ld1.o $(LD1OBJS) $(LD1MODS) $(MODULES) $(LIBOBJS) $(LIBS)
ld1.o $(LD1OBJS) $(LD1MODS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../atomic/ld1.x . )
tldeps:
test -n "$(TLDEPS)" && ( cd .. ; $(MAKE) $(MFLAGS) $(TLDEPS) || exit 1) || :

4
atomic/atomic_paw.f90
View File

@ -104,8 +104,8 @@ CONTAINS
!
do is=1,nspin_
do n=2,pawset_%grid%mesh
if (chargeps(n,is)<-1.d-12) &
call errore('new_paw_hamiltonian','negative rho',1)
!if (chargeps(n,is)<-1.d-12) &
! call errore('new_paw_hamiltonian','negative rho',1)
enddo
enddo

8
atomic/make.depend
View File

@ -200,7 +200,6 @@ ld1_writeout.o : ../Modules/functionals.o
ld1_writeout.o : ../Modules/io_global.o
ld1_writeout.o : ../Modules/mp.o
ld1_writeout.o : ../Modules/radial_grids.o
ld1_writeout.o : ../Modules/upf.o
ld1_writeout.o : ld1inc.o
ld1_writeout.o : paw_type.o
ld1inc.o : ../Modules/kind.o
@ -300,6 +299,8 @@ start_potps.o : ../Modules/io_global.o
start_potps.o : ../Modules/kind.o
start_potps.o : ../Modules/radial_grids.o
start_potps.o : ld1inc.o
start_scheq.o : ../Modules/kind.o
start_scheq.o : ../Modules/radial_grids.o
starting_potential.o : ../Modules/kind.o
starting_potential.o : ld1inc.o
test_bessel.o : ../Modules/constants.o
@ -326,6 +327,11 @@ write_ae_pseudo.o : ld1inc.o
write_cpmd.o : ../Modules/constants.o
write_cpmd.o : ../Modules/functionals.o
write_cpmd.o : ../Modules/kind.o
write_files.o : ../Modules/io_global.o
write_files.o : ../Modules/kind.o
write_files.o : ../Modules/mp.o
write_files.o : ../Modules/radial_grids.o
write_files.o : ld1inc.o
write_paw_recon.o : ../Modules/io_global.o
write_paw_recon.o : ../Modules/kind.o
write_paw_recon.o : ../Modules/mp.o

53
upftools/Makefile
View File

@ -6,58 +6,51 @@ include ../make.sys
MODFLAGS= $(MOD_FLAG)../iotk/src $(MOD_FLAG)../Modules $(MOD_FLAG).
OBJS = write_upf.o
MODS = ../Modules/kind.o ../Modules/parameters.o ../Modules/pseudo_types.o \
../Modules/parser.o ../Modules/io_global.o ../Modules/mp_global.o \
../Modules/io_files.o ../Modules/error_handler.o ../Modules/radial_grids.o \
../Modules/mp.o ../Modules/mp_base.o ../Modules/parallel_include.o \
../Modules/constants.o
UPF_MOD =../Modules/upf.o ../Modules/write_upf_v2.o ../Modules/read_upf_v1.o \
../Modules/read_upf_v2.o
SPLINE = ../Modules/splinelib.o
FUNCT = ../Modules/functionals.o
QEMODS = ../Modules/libqemod.a
TLDEPS = mods libs libiotk
all : tldeps casino2upf.x cpmd2upf.x fhi2upf.x fpmd2upf.x ncpp2upf.x oldcp2upf.x \
read_upf_tofile.x rrkj2upf.x uspp2upf.x vdb2upf.x virtual.x
casino2upf.x : casino2upf.o $(OBJS) $(MODS) $(FUNCT) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ casino2upf.o $(OBJS) $(MODS) $(FUNCT) $(LIBOBJS) $(LIBS)
casino2upf.x : casino2upf.o $(OBJS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ casino2upf.o $(OBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
cpmd2upf.x : cpmd2upf.o $(OBJS) $(MODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ cpmd2upf.o $(OBJS) $(MODS) $(LIBOBJS) $(LIBS)
cpmd2upf.x : cpmd2upf.o $(OBJS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ cpmd2upf.o $(OBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
fhi2upf.x : fhi2upf.o $(OBJS) $(MODS) $(FUNCT) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ fhi2upf.o $(OBJS) $(MODS) $(FUNCT) $(LIBOBJS) $(LIBS)
fhi2upf.x : fhi2upf.o $(OBJS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ fhi2upf.o $(OBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
fpmd2upf.x : fpmd2upf.o $(OBJS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ fpmd2upf.o $(OBJS) $(MODS) $(LIBOBJS) $(LIBS)
$(LD) $(LDFLAGS) -o $@ fpmd2upf.o $(OBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
ncpp2upf.x : ncpp2upf.o $(OBJS) $(MODS) $(FUNCT) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ ncpp2upf.o $(OBJS) $(MODS) $(FUNCT) $(LIBOBJS) $(LIBS)
ncpp2upf.x : ncpp2upf.o $(OBJS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ ncpp2upf.o $(OBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
oldcp2upf.x : oldcp2upf.o $(OBJS) $(MODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ oldcp2upf.o $(OBJS) $(MODS) $(LIBOBJS) $(LIBS)
oldcp2upf.x : oldcp2upf.o $(OBJS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ oldcp2upf.o $(OBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
read_upf.x : read_upf.o
$(LD) $(LDFLAGS) -o $@ read_upf.o $(LIBS)
read_upf_tofile.x : read_upf_tofile.o $(MODS) $(UPF_MOD)
$(LD) $(LDFLAGS) -o $@ read_upf_tofile.o $(UPF_MOD) $(MODS) $(OBJS) $(LIBOBJS) $(LIBS)
read_upf_tofile.x : read_upf_tofile.o $(QEMODS)
$(LD) $(LDFLAGS) -o $@ read_upf_tofile.o $(OBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
rrkj2upf.x : rrkj2upf.o $(OBJS) $(MODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ rrkj2upf.o $(OBJS) $(MODS) $(LIBOBJS) $(LIBS)
rrkj2upf.x : rrkj2upf.o $(OBJS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ rrkj2upf.o $(OBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
uspp2upf.x : uspp2upf.o vanderbilt.o $(OBJS) $(MODS) $(LIBOBJS)
uspp2upf.x : uspp2upf.o vanderbilt.o $(OBJS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ \
uspp2upf.o vanderbilt.o $(OBJS) $(MODS) $(LIBOBJS) $(LIBS)
uspp2upf.o vanderbilt.o $(OBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
vdb2upf.x : vdb2upf.o vanderbilt.o $(OBJS) $(MODS) $(LIBOBJS)
vdb2upf.x : vdb2upf.o vanderbilt.o $(OBJS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ \
vdb2upf.o vanderbilt.o $(OBJS) $(MODS) $(LIBOBJS) $(LIBS)
vdb2upf.o vanderbilt.o $(OBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
virtual.x : virtual.o $(OBJS) $(MODS) $(SPLINE) $(FUNCT) $(LIBOBJS)
virtual.x : virtual.o $(OBJS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ \
virtual.o $(OBJS) $(MODS) $(SPLINE) $(FUNCT) $(LIBOBJS) $(LIBS)
virtual.o $(OBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
tldeps:
test -n "$(TLDEPS)" && ( cd .. ; $(MAKE) $(MFLAGS) $(TLDEPS) || exit 1) || :