| 7 |
|
|
| 8 |
|
.F90.obj: |
| 9 |
|
$(F77) $(AM_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o $@ `if test -f '$<'; then $(CYGPATH_W) '$<'; else $(CYGPATH_W) '$(srcdir)/$<'; fi` |
| 10 |
– |
|
| 10 |
|
|
| 11 |
+ |
|
| 12 |
|
#***************************************************************** |
| 13 |
|
# the single processor build |
| 14 |
|
# **************************************************************** |
| 15 |
|
|
| 16 |
|
|
| 17 |
– |
EXTRA_DIST = generic_list_functions.i90 |
| 18 |
– |
|
| 17 |
|
pkglib_LIBRARIES = libmdCode.a libMPImdCode.a |
| 18 |
|
|
| 19 |
< |
pkginclude_HEADERS = AbstractClasses.hpp Atom.hpp ForceFields.hpp \ |
| 20 |
< |
Integrator.hpp ReadWrite.hpp SimInfo.hpp SimSetup.hpp SRI.hpp \ |
| 21 |
< |
Thermo.hpp Molecule.hpp randomSPRNG.hpp mpiForceField.h \ |
| 22 |
< |
mpiSimulation.hpp mpiComponentPlan.h |
| 19 |
> |
pkginclude_HEADERS = AbstractClasses.hpp Atom.hpp ForceFields.hpp \ |
| 20 |
> |
Integrator.hpp ReadWrite.hpp SimInfo.hpp SimSetup.hpp SRI.hpp \ |
| 21 |
> |
Thermo.hpp Molecule.hpp randomSPRNG.hpp mpiForceField.h \ |
| 22 |
> |
mpiSimulation.hpp mpiComponentPlan.h fSimulation.h fortranWrappers.hpp \ |
| 23 |
> |
fortranWrapDefines.hpp |
| 24 |
|
|
| 25 |
< |
libmdCode_a_SOURCES = forceFactory.hpp fortranFncs.h Bend.cpp \ |
| 26 |
< |
BendExtensions.cpp Bond.cpp BondExtensions.cpp DipoleTestFF.cpp \ |
| 27 |
< |
DirectionalAtom.cpp DumpWriter.cpp InitializeFromFile.cpp LJ_FF.cpp \ |
| 28 |
< |
SimInfo.cpp SimSetup.cpp StatWriter.cpp Symplectic.cpp Thermo.cpp \ |
| 29 |
< |
Torsion.cpp TorsionExtensions.cpp TraPPE_ExFF.cpp TraPPEFF.cpp \ |
| 30 |
< |
Verlet.cpp randomSPRNG.cpp atype_typedefs.F90 f_verlet_constrained.f \ |
| 31 |
< |
generic_atype_recombination.F90 simulation_module.F90 lj_FF.F90 \ |
| 32 |
< |
wrappers.F90 forceFactory.F90 |
| 25 |
> |
libmdCode_a_SOURCES = forceFactory.hpp fortranFncs.h Bend.cpp \ |
| 26 |
> |
BendExtensions.cpp Bond.cpp BondExtensions.cpp DipoleTestFF.cpp \ |
| 27 |
> |
DirectionalAtom.cpp DumpWriter.cpp InitializeFromFile.cpp LJ_FF.cpp \ |
| 28 |
> |
SimInfo.cpp SimSetup.cpp StatWriter.cpp Symplectic.cpp Thermo.cpp \ |
| 29 |
> |
Torsion.cpp TorsionExtensions.cpp TraPPE_ExFF.cpp TraPPEFF.cpp \ |
| 30 |
> |
Verlet.cpp randomSPRNG.cpp fortranWrappers.cpp ForceFields.cpp \ |
| 31 |
> |
atype_module.F90 f_verlet_constrained.f calc_dipole_dipole.F90 \ |
| 32 |
> |
calc_reaction_field.F90 calc_LJ_FF.F90 calc_sticky_pair.F90 \ |
| 33 |
> |
doForces.F90 vector_class.F90 simulation_module.F90 wrappers.F90 \ |
| 34 |
> |
neighborLists.F90 |
| 35 |
|
|
| 36 |
+ |
libmdCode_a_CXXFLAGS = -DFRC_PATH="$(pkgdatadir)" $(AM_CXXFLAGS) |
| 37 |
+ |
|
| 38 |
+ |
|
| 39 |
|
#compiler and machine dependent fortran definitions |
| 40 |
|
|
| 41 |
|
EXTRA_libmdCode_a_SOURCES = Linux_ifc_machdep.F90 |
| 42 |
|
libmdCode_a_LIBADD = @fortran_machine_defs@ |
| 43 |
|
|
| 44 |
|
|
| 45 |
< |
#ssd_FF.F90 TraPPE_ExFF_module.F90 |
| 45 |
> |
#fortran module dependencies |
| 46 |
|
|
| 47 |
< |
atype_typedefs.o: atype_typedefs.F90 @fortran_machine_defs@ |
| 47 |
> |
atype_module.o: atype_module.F90 @fortran_machine_defs@ vector_class.o |
| 48 |
|
|
| 49 |
< |
generic_atype_recombination.o: generic_atype_recombination.F90 atype_typedefs.o @fortran_machine_defs@ |
| 49 |
> |
simulation_module.o: simulation_module.F90 @fortran_machine_defs@ atype_module.o neighborList.o |
| 50 |
|
|
| 51 |
< |
lj_FF.o: lj_FF.F90 @fortran_machine_defs@ simulation_module.o generic_atype_recombination.o \ |
| 48 |
< |
atype_typedefs.o |
| 51 |
> |
wrappers.o: wrappers.F90 simulation_module.o @fortran_machine_defs@ do_Forces.o |
| 52 |
|
|
| 53 |
< |
wrappers.o: wrappers.F90 simulation_module.o @fortran_machine_defs@ |
| 53 |
> |
neighborLists.o: neighborLists.F90 @fortran_machine_defs@ |
| 54 |
|
|
| 55 |
< |
forceFactory.o: forceFactory.F90 lj_FF.o @fortran_machine_defs@ |
| 55 |
> |
calc_dipole_dipole.o: calc_dipole_dipole.F90 @fortran_machine_defs@ simulation_module.o vector_class.o |
| 56 |
|
|
| 57 |
< |
#ssd_FF.o: ssd_FF.F90 simulation_module.o generic_atype_recombination.o \ |
| 55 |
< |
# atype_typedefs.o |
| 57 |
> |
calc_LJ_FF.o: calc_LJ_FF.F90 @fortran_machine_defs@ simulation_module.o vector_class.o atype_module.o |
| 58 |
|
|
| 59 |
+ |
calc_reaction_field.o: calc_reaction_field.F90 @fortran_machine_defs@ simulation_module.o vector_class.o atype_module.o |
| 60 |
|
|
| 61 |
+ |
calc_sticky_pair.o: calc_sticky_pair.F90 @fortran_machine_defs@ simulation_module.o |
| 62 |
+ |
|
| 63 |
+ |
do_Forces.o: do_Forces.F90 @fortran_machine_defs@ simulation_module.o atype_module.o neighborLists.o calc_LJ_FF.o \ |
| 64 |
+ |
calc_sticky_pair.o calc_dipole_dipole.o calc_reaction_field.o |
| 65 |
+ |
|
| 66 |
|
#***************************************************************** |
| 67 |
|
# MPI build |
| 68 |
|
#**************************************************************** |
| 69 |
|
|
| 70 |
< |
libMPImdCode_a_SOURCES = forceFactory.hpp fortranFncs.h Bend.cpp \ |
| 71 |
< |
BendExtensions.cpp Bond.cpp BondExtensions.cpp DipoleTestFF.cpp \ |
| 72 |
< |
DirectionalAtom.cpp DumpWriter.cpp InitializeFromFile.cpp LJ_FF.cpp \ |
| 73 |
< |
SimInfo.cpp SimSetup.cpp StatWriter.cpp Symplectic.cpp Thermo.cpp \ |
| 74 |
< |
Torsion.cpp TorsionExtensions.cpp TraPPE_ExFF.cpp TraPPEFF.cpp \ |
| 75 |
< |
Verlet.cpp randomSPRNG.cpp atype_typedefs.F90 f_verlet_constrained.f \ |
| 76 |
< |
generic_atype_recombination.F90 simulation_module.F90 lj_FF.F90 \ |
| 69 |
< |
wrappers.F90 forceFactory.F90 mpiForceField.c mpiSimulation.cpp \ |
| 70 |
> |
libMPImdCode_a_SOURCES = forceFactory.hpp fortranFncs.h Bend.cpp \ |
| 71 |
> |
BendExtensions.cpp Bond.cpp BondExtensions.cpp DipoleTestFF.cpp \ |
| 72 |
> |
DirectionalAtom.cpp DumpWriter.cpp InitializeFromFile.cpp LJ_FF.cpp \ |
| 73 |
> |
SimInfo.cpp SimSetup.cpp StatWriter.cpp Symplectic.cpp Thermo.cpp \ |
| 74 |
> |
Torsion.cpp TorsionExtensions.cpp TraPPE_ExFF.cpp TraPPEFF.cpp \ |
| 75 |
> |
fortranWrappers.cpp ForceFields.cpp Verlet.cpp randomSPRNG.cpp \ |
| 76 |
> |
f_verlet_constrained.f mpiForceField.c mpiSimulation.cpp \ |
| 77 |
|
mpiSimulation_module.F90 |
| 78 |
|
|
| 79 |
|
EXTRA_libMPImdCode_a_SOURCES = Linux_ifc_machdep.F90 |
| 73 |
– |
libMPImdCode_a_LIBADD = @fortran_machine_defs@ |
| 80 |
|
|
| 81 |
+ |
libMPImdCode_a_LIBADD = @fortran_machine_defs@ \ |
| 82 |
+ |
libMPImdCode_a-atype_module.$(OBJEXT) \ |
| 83 |
+ |
libMPImdCode_a-simulation_module.$(OBJEXT) \ |
| 84 |
+ |
libMPImdCode_a-neighborLists.$(OBJEXT) \ |
| 85 |
+ |
libMPImdCode_a-calc_dipole_dipole.$(OBJEXT) \ |
| 86 |
+ |
libMPImdCode_a-calc_LJ_FF.$(OBJEXT) \ |
| 87 |
+ |
libMPImdCode_a-calc_reaction_field.$(OBJEXT) \ |
| 88 |
+ |
libMPImdCode_a-calc_sticky_pair.$(OBJEXT) \ |
| 89 |
+ |
libMPImdCode_a-do_Forces.$(OBJEXT) \ |
| 90 |
+ |
libMPImdCode_a-wrappers.$(OBJEXT) \ |
| 91 |
+ |
libMPImdCode_a-vector_class.$(OBJEXT) |
| 92 |
+ |
|
| 93 |
+ |
libMPImdCode_a_DEPENDENCIES = @fortran_machine_defs@ \ |
| 94 |
+ |
libMPImdCode_a-atype_module.$(OBJEXT) \ |
| 95 |
+ |
libMPImdCode_a-simulation_module.$(OBJEXT) \ |
| 96 |
+ |
libMPImdCode_a-neighborLists.$(OBJEXT) \ |
| 97 |
+ |
libMPImdCode_a-calc_dipole_dipole.$(OBJEXT) \ |
| 98 |
+ |
libMPImdCode_a-calc_LJ_FF.$(OBJEXT) \ |
| 99 |
+ |
libMPImdCode_a-calc_reaction_field.$(OBJEXT) \ |
| 100 |
+ |
libMPImdCode_a-calc_sticky_pair.$(OBJEXT) \ |
| 101 |
+ |
libMPImdCode_a-do_Forces.$(OBJEXT) \ |
| 102 |
+ |
libMPImdCode_a-wrappers.$(OBJEXT) \ |
| 103 |
+ |
libMPImdCode_a-vector_class.$(OBJEXT) |
| 104 |
+ |
|
| 105 |
|
libMPImdCode_a_CFLAGS = -DIS_MPI $(AM_CFLAGS) |
| 106 |
< |
libMPImdCode_a_CXXFLAGS = -DIS_MPI $(AM_CXXFLAGS) |
| 106 |
> |
libMPImdCode_a_CXXFLAGS = -DFRC_PATH="$(pkgdatadir)" -DIS_MPI $(AM_CXXFLAGS) |
| 107 |
|
libMPImdCode_a_FFLAGS = -DIS_MPI $(AM_FFLAGS) |
| 108 |
|
|
| 109 |
+ |
#fortran module dependencies |
| 110 |
|
|
| 111 |
+ |
libMPImdCode_a-atype_module.o: atype_module.F90 @fortran_machine_defs@ libMPImdCode_a-vector_class.o |
| 112 |
+ |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-atype_module.o `test -f 'atype_module.F90' || echo '$(srcdir)/'`atype_module.F90 |
| 113 |
|
|
| 114 |
< |
#ssd_FF.F90 TraPPE_ExFF_module.F90 |
| 114 |
> |
libMPImdCode_a-simulation_module.o: simulation_module.F90 @fortran_machine_defs@ mpiSimulation_module.o \ |
| 115 |
> |
libMPImdCode_a-atype_module.o libMPImdCode_a-neighborLists.o |
| 116 |
> |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-simulation_module.o `test -f 'simulation_module.F90' || echo '$(srcdir)/'`simulation_module.F90 |
| 117 |
|
|
| 118 |
< |
libMPImdCode_a-atype_typedefs.o: atype_typedefs.F90 @fortran_machine_defs@ |
| 119 |
< |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -c -o libMPImdCode_a-atype_typedefs.o `test -f 'atype_typedefs.F90' || echo '$(srcdir)/'`atype_typedefs.F90 |
| 120 |
< |
|
| 86 |
< |
libMPImdCode_a-generic_atype_recombination.o: generic_atype_recombination.F90 \ |
| 87 |
< |
libMPImdCode_a-atype_typedefs.o @fortran_machine_defs@ |
| 88 |
< |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -c -o libMPImdCode_a-generic_atype_recombination.o `test -f 'generic_atype_recombination.F90' || echo '$(srcdir)/'`generic_atype_recombination.F90 |
| 118 |
> |
libMPImdCode_a-wrappers.o: wrappers.F90 libMPImdCode_a-simulation_module.o @fortran_machine_defs@ \ |
| 119 |
> |
mpiSimulation_module.o libMPImdCode_a-do_Forces.o |
| 120 |
> |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-wrappers.o `test -f 'wrappers.F90' || echo '$(srcdir)/'`wrappers.F90 |
| 121 |
|
|
| 122 |
< |
libMPImdCode_a-lj_FF.o: lj_FF.F90 libMPImdCode_a-simulation_module.o \ |
| 123 |
< |
libMPImdCode_a-generic_atype_recombination.o libMPImdCode_a-atype_typedefs.o @fortran_machine_defs@ |
| 92 |
< |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -c -o libMPImdCode_a-lj_FF.o `test -f 'lj_FF.F90' || echo '$(srcdir)/'`lj_FF.F90 |
| 122 |
> |
libMPImdCode_a-neighborLists.o: neighborLists.F90 mpiSimulation_module.o @fortran_machine_defs@ |
| 123 |
> |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-neighborLists.o `test -f 'neighborLists.F90' || echo '$(srcdir)/'`neighborLists.F90 |
| 124 |
|
|
| 125 |
< |
libMPImdCode_a-wrappers.o: wrappers.F90 libMPImdCode_a-simulation_module.o @fortran_machine_defs@ |
| 126 |
< |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -c -o libMPImdCode_a-wrappers.o `test -f 'wrappers.F90' || echo '$(srcdir)/'`wrappers.F90 |
| 125 |
> |
mpiSimulation_module.o: mpiSimulation_module.F90 @fortran_machine_defs@ |
| 126 |
> |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o mpiSimulation_module.o `test -f 'mpiSimulation_module.F90' || echo '$(srcdir)/'`mpiSimulation_module.F90 |
| 127 |
|
|
| 128 |
< |
libMPImdCode_a-forceFactory.o: forceFactory.F90 libMPImdCode_a-lj_FF.o @fortran_machine_defs@ |
| 129 |
< |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -c -o libMPImdCode_a-forceFactory.o `test -f 'forceFactory.F90' || echo '$(srcdir)/'`forceFactory.F90 |
| 128 |
> |
libMPImdCode_a-calc_dipole_dipole.o: calc_dipole_dipole.F90 @fortran_machine_defs@ libMPImdCode_a-vector_class.o\ |
| 129 |
> |
libMPImdCode_a-simulation_module.o mpiSimulation_module.o |
| 130 |
> |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-calc_dipole_dipole.o `test -f 'calc_dipole_dipole.F90' || echo '$(srcdir)/'`calc_dipole_dipole.F90 |
| 131 |
|
|
| 132 |
< |
libMPImdCode_a-mpiSimulation_module.o: mpiSimulation_module.F90 libMPImdCode_a-lj_FF.o @fortran_machine_defs@ |
| 133 |
< |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -c -o libMPImdCode_a-mpiSimulation_module.o `test -f 'mpiSimulation_module.F90' || echo '$(srcdir)/'`mpiSimulation_module.F90 |
| 132 |
> |
libMPImdCode_a-calc_LJ_FF.o: calc_LJ_FF.F90 @fortran_machine_defs@ libMPImdCode_a-vector_class.o\ |
| 133 |
> |
libMPImdCode_a-simulation_module.o mpiSimulation_module.o libMPImdCode_a-atype_module.o |
| 134 |
> |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-calc_LJ_FF.o `test -f 'calc_LJ_FF.F90' || echo '$(srcdir)/'`calc_LJ_FF.F90 |
| 135 |
|
|
| 136 |
< |
#ssd_FF.o: ssd_FF.F90 simulation_module.o generic_atype_recombination.o \ |
| 137 |
< |
# atype_typedefs.o |
| 138 |
< |
|
| 136 |
> |
libMPImdCode_a-calc_reaction_field.o: calc_reaction_field.F90 @fortran_machine_defs@ libMPImdCode_a-vector_class.o\ |
| 137 |
> |
libMPImdCode_a-simulation_module.o mpiSimulation_module.o libMPImdCode_a-atype_module.o |
| 138 |
> |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-calc_reaction_field.o `test -f 'calc_reaction_field.F90' || echo '$(srcdir)/'`calc_reaction_field.F90 |
| 139 |
|
|
| 140 |
+ |
libMPImdCode_a-calc_sticky_pair.o: calc_sticky_pair.F90 @fortran_machine_defs@ \ |
| 141 |
+ |
libMPImdCode_a-simulation_module.o mpiSimulation_module.o |
| 142 |
+ |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-calc_sticky_pair.o `test -f 'calc_sticky_pair.F90' || echo '$(srcdir)/'`calc_sticky_pair.F90 |
| 143 |
|
|
| 144 |
+ |
libMPImdCode_a-do_Forces.o: do_Forces.F90 @fortran_machine_defs@ libMPImdCode_a-simulation_module.o mpiSimulation_module.o libMPImdCode_a-atype_module.o\ |
| 145 |
+ |
libMPImdCode_a-calc_sticky_pair.o libMPImdCode_a-calc_reaction_field.o libMPImdCode_a-calc_LJ_FF.o libMPImdCode_a-calc_dipole_dipole.o \ |
| 146 |
+ |
libMPImdCode_a-neighborLists.o |
| 147 |
+ |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-do_Forces.o `test -f 'do_Forces.F90' || echo '$(srcdir)/'`do_Forces.F90 |
| 148 |
+ |
|
| 149 |
+ |
libMPImdCode_a-vector_class.o: vector_class.F90 |
| 150 |
+ |
$(F77) $(libMPImdCode_a_FFLAGS) $(FFLAGS) -I@mpich_include@/f90choice -c -o libMPImdCode_a-vector_class.o `test -f 'vector_class.F90' || echo '$(srcdir)/'`vector_class.F90 |
