52 |
|
selection \ |
53 |
|
restraints \ |
54 |
|
lattice \ |
55 |
+ |
openbabel |
56 |
|
|
57 |
|
#packages containing applications |
58 |
|
Applications = \ |
62 |
|
applications/dynamicProps \ |
63 |
|
applications/simpleBuilder\ |
64 |
|
applications/nanoRodBuilder \ |
65 |
+ |
applications/atom2mdin |
66 |
|
|
67 |
|
Samples = \ |
68 |
|
samples/argon \ |
69 |
< |
samples/water/dimer \ |
69 |
> |
samples/water/dimer \ |
70 |
|
samples/water/spce \ |
71 |
|
samples/water/ssd \ |
72 |
|
samples/water/ssde \ |
73 |
+ |
samples/water/ssdrf \ |
74 |
+ |
samples/water/ssd-ion \ |
75 |
|
samples/water/tip3p_ice \ |
76 |
|
samples/water/tip4p \ |
77 |
|
samples/lipid \ |
78 |
|
samples/alkane \ |
79 |
|
samples/minimizer \ |
80 |
|
samples/metals \ |
81 |
+ |
samples/thermoIntegration/liquid \ |
82 |
+ |
samples/thermoIntegration/solid \ |
83 |
+ |
samples/dipole \ |
84 |
+ |
samples/shape \ |
85 |
|
samples/zcons \ |
86 |
|
|
87 |
|
IncludeDirs = \ |
93 |
|
@MPI_LIB_DIR@ |
94 |
|
|
95 |
|
Libraries = \ |
96 |
+ |
@LIBS@ \ |
97 |
|
@CGAL_LIBS@ \ |
98 |
|
@MPI_LIB@ \ |
99 |
|
@MPI_F90_LIB@ |
127 |
|
ParallelTargetDir = $(DEV_ROOT)/MPIobj |
128 |
|
LibDir = $(DEV_ROOT)/lib |
129 |
|
MakeDir = $(DEV_ROOT)/make |
130 |
+ |
MainMakefile = $(MakeDir)/Makefile |
131 |
|
BinDir = $(DEV_ROOT)/bin |
132 |
|
DocsDir = $(DEV_ROOT)/docs |
133 |
|
CurrentDir = $(CURDIR) |
335 |
|
CppCompiler = @CXX@ |
336 |
|
Linker = @CXX@ |
337 |
|
MakeDepend = makedepend |
338 |
+ |
LN_S = @LN_S@ |
339 |
|
INSTALL = @INSTALL@ |
340 |
|
InstallProgram = @INSTALL_PROGRAM@ |
341 |
|
InstallScript = @INSTALL_SCRIPT@ |
342 |
|
InstallData = @INSTALL_DATA@ |
343 |
|
MkDir = @MKINSTALLDIRS@ |
344 |
< |
Delete = rm -fr |
344 |
> |
Delete = rm -f |
345 |
|
StaticArchiver = @AR@ |
346 |
|
DynamicArchiver = @CC@ |
347 |
|
FortranCompiler = @FC@ |
420 |
|
InstallFiles = $(Executable) |
421 |
|
endif |
422 |
|
InstallCommand = $(InstallProgram) |
423 |
+ |
ifneq "$(words $(LinkTargets))" "0" |
424 |
+ |
MyLinkSource = $(patsubst %, $(MyInstallDir)/%,$(Main)) |
425 |
+ |
MyLinkTargets = $(patsubst %, $(MyInstallDir)/%,$(LinkTargets)) |
426 |
+ |
endif |
427 |
|
endif |
428 |
|
|
429 |
|
ifneq "$(words $(ForcefieldFiles))" "0" |
460 |
|
$(MkDir) $@ |
461 |
|
|
462 |
|
# .c -> .o |
463 |
< |
$(PackageTargetDir)/%.o : %.c |
463 |
> |
$(PackageTargetDir)/%.o : %.c $(MainMakefile) |
464 |
|
$(Print) $@ |
465 |
|
$(CCompiler) $(COptions) -c $(IncludePath) $< -o $@ |
466 |
|
|
467 |
< |
$(PackageParallelTargetDir)/%.o : %.c |
467 |
> |
$(PackageParallelTargetDir)/%.o : %.c $(MainMakefile) |
468 |
|
$(Print) $@ |
469 |
|
$(CCompiler) $(CParallelOptions) -c $(IncludePath) $< -o $@ |
470 |
|
|
471 |
|
ifeq "$(UseMPI)" "yes" |
472 |
< |
%.o : %.c |
472 |
> |
%.o : %.c $(MainMakefile) |
473 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
474 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
475 |
|
else |
476 |
< |
%.o : %.c |
476 |
> |
%.o : %.c $(MainMakefile) |
477 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
478 |
|
endif |
479 |
|
|
480 |
|
# .cpp -> .o |
481 |
< |
$(PackageTargetDir)/%.o : %.cpp |
481 |
> |
$(PackageTargetDir)/%.o : %.cpp $(MainMakefile) |
482 |
|
$(CppCompiler) $(CppOptions) -c $(IncludePath) $< -o $@ |
483 |
|
|
484 |
< |
$(PackageParallelTargetDir)/%.o : %.cpp |
484 |
> |
$(PackageParallelTargetDir)/%.o : %.cpp $(MainMakefile) |
485 |
|
$(CppCompiler) $(CppParallelOptions) -c $(IncludePath) $< -o $@ |
486 |
|
|
487 |
|
ifeq "$(UseMPI)" "yes" |
488 |
< |
%.o : %.cpp |
488 |
> |
%.o : %.cpp $(MainMakefile) |
489 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
490 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
491 |
|
else |
492 |
< |
%.o : %.cpp |
492 |
> |
%.o : %.cpp $(MainMakefile) |
493 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
494 |
|
endif |
495 |
|
|
496 |
|
# .f -> .o |
497 |
< |
$(PackageTargetDir)/%.o : %.f |
497 |
> |
$(PackageTargetDir)/%.o : %.f $(MainMakefile) |
498 |
|
$(FortranCompiler) $(FortranOptions) -c $< -o $@ |
499 |
|
|
500 |
< |
$(PackageParallelTargetDir)/%.o : %.f |
500 |
> |
$(PackageParallelTargetDir)/%.o : %.f $(MainMakefile) |
501 |
|
$(FortranCompiler) $(FortranParallelOptions) -c $< -o $@ |
502 |
|
|
503 |
|
ifeq "$(UseMPI)" "yes" |
504 |
< |
%.o : %.f |
504 |
> |
%.o : %.f $(MainMakefile) |
505 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
506 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
507 |
|
else |
508 |
< |
%.o : %.f |
508 |
> |
%.o : %.f $(MainMakefile) |
509 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
510 |
|
endif |
511 |
|
|
512 |
|
# .F90 -> .o |
513 |
< |
$(PackageTargetDir)/%.o : %.F90 |
513 |
> |
$(PackageTargetDir)/%.o : %.F90 $(MainMakefile) |
514 |
|
$(F90Compiler) $(F90Options) $(IncludePath) -c $< -o $@ |
515 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
516 |
|
$(Move) `ls *.$(ModSuffix)` $(PackageTargetDir);\ |
517 |
|
fi |
518 |
|
|
519 |
< |
$(PackageParallelTargetDir)/%.o : %.F90 |
519 |
> |
$(PackageParallelTargetDir)/%.o : %.F90 $(MainMakefile) |
520 |
|
$(F90Compiler) $(F90ParallelOptions) $(IncludePath) -c $< -o $@ |
521 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
522 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageParallelTargetDir);\ |
523 |
|
fi |
524 |
|
|
525 |
|
ifeq "$(UseMPI)" "yes" |
526 |
< |
%.o : %.F90 |
526 |
> |
%.o : %.F90 $(MainMakefile) |
527 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
528 |
|
if test -n "`ls *.$(ModSuffix)`"; then\ |
529 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\ |
535 |
|
fi |
536 |
|
|
537 |
|
else |
538 |
< |
%.o : %.F90 |
538 |
> |
%.o : %.F90 $(MainMakefile) |
539 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
540 |
|
if test -n "`ls *.$(ModSuffix)`"; then\ |
541 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\ |
647 |
|
create_archive = $(shell $(StaticArchiver) $(StaticArchiverOptions) $(2) $(call find_objs, $(1))) |
648 |
|
remove_objs = $(shell $(Delete) $(call find_objs, $(1))) |
649 |
|
do_create = $(call extract_objs,$(1))$(call create_archive,$(1),$(2))$(call remove_objs,$(1)) |
650 |
+ |
do_link = $(shell $(LN_S) $(1) $(2)) |
651 |
|
|
652 |
|
$(CombinedStaticLib) : $(LibDir)/.stamp_UP |
653 |
|
$(Print) create $@ |
807 |
|
install : $(InstallListLoop) |
808 |
|
$(Print) Done Install |
809 |
|
|
810 |
< |
_installall : _buildall _installdata |
810 |
> |
_installall : _buildall _installdata _installlinks |
811 |
|
|
812 |
|
$(MyInstallDir) : |
813 |
|
$(MkDir) $@ |
818 |
|
$(InstallCommand) $(InstallFiles) $(MyInstallDir) |
819 |
|
endif |
820 |
|
|
821 |
+ |
_installlinks : $(MyInstallDir) |
822 |
+ |
ifneq "$(words $(MyLinkTargets))" "0" |
823 |
+ |
@cd $(MyInstallDir) |
824 |
+ |
$(foreach thisLink,$(MyLinkTargets),$(call do_link,$(MyLinkSource),$(thisLink))) |
825 |
+ |
endif |
826 |
+ |
|
827 |
|
# make statistics |
828 |
|
_statisticsall : |
829 |
|
@$(Print) $(patsubst %,$(CurrentDir)/%,$(SourceFiles)) >> $(DEV_ROOT)/files.tmp |
834 |
|
$(Print) Done statistics. |
835 |
|
|
836 |
|
# make pure |
837 |
< |
$(Executable).pure : |
838 |
< |
$(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
839 |
< |
$(LibList) $(ObjectFiles) -o $@ |
837 |
> |
#$(Executable).pure : |
838 |
> |
# $(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
839 |
> |
# $(LibList) $(ObjectFiles) -o $@ |
840 |
> |
# |
841 |
> |
#pure : $(Executable).pure |
842 |
|
|
819 |
– |
pure : $(Executable).pure |
820 |
– |
|
843 |
|
#make cvslog |
844 |
|
cvslog: |
845 |
|
$(DEV_ROOT)/scripts/cvs2cl |