52 |
|
selection \ |
53 |
|
restraints \ |
54 |
|
lattice \ |
55 |
< |
|
55 |
> |
openbabel\ |
56 |
> |
antlr\ |
57 |
> |
mdParser |
58 |
|
#packages containing applications |
59 |
|
Applications = \ |
60 |
|
applications/oopse \ |
63 |
|
applications/dynamicProps \ |
64 |
|
applications/simpleBuilder\ |
65 |
|
applications/nanoRodBuilder \ |
66 |
+ |
applications/atom2mdin |
67 |
|
|
68 |
|
Samples = \ |
69 |
|
samples/argon \ |
70 |
< |
samples/water/dimer \ |
70 |
> |
samples/water/dimer \ |
71 |
|
samples/water/spce \ |
72 |
|
samples/water/ssd \ |
73 |
|
samples/water/ssde \ |
74 |
+ |
samples/water/ssdrf \ |
75 |
+ |
samples/water/ssd-ion \ |
76 |
|
samples/water/tip3p_ice \ |
77 |
|
samples/water/tip4p \ |
78 |
|
samples/lipid \ |
79 |
|
samples/alkane \ |
80 |
|
samples/minimizer \ |
81 |
|
samples/metals \ |
82 |
+ |
samples/thermoIntegration/liquid \ |
83 |
+ |
samples/thermoIntegration/solid \ |
84 |
+ |
samples/dipole \ |
85 |
+ |
samples/shape \ |
86 |
|
samples/zcons \ |
87 |
|
|
88 |
|
IncludeDirs = \ |
94 |
|
@MPI_LIB_DIR@ |
95 |
|
|
96 |
|
Libraries = \ |
97 |
+ |
@LIBS@ \ |
98 |
|
@CGAL_LIBS@ \ |
99 |
|
@MPI_LIB@ \ |
100 |
|
@MPI_F90_LIB@ |
128 |
|
ParallelTargetDir = $(DEV_ROOT)/MPIobj |
129 |
|
LibDir = $(DEV_ROOT)/lib |
130 |
|
MakeDir = $(DEV_ROOT)/make |
131 |
+ |
MainMakefile = $(MakeDir)/Makefile |
132 |
|
BinDir = $(DEV_ROOT)/bin |
133 |
|
DocsDir = $(DEV_ROOT)/docs |
134 |
|
CurrentDir = $(CURDIR) |
336 |
|
CppCompiler = @CXX@ |
337 |
|
Linker = @CXX@ |
338 |
|
MakeDepend = makedepend |
339 |
+ |
LN_S = @LN_S@ |
340 |
|
INSTALL = @INSTALL@ |
341 |
+ |
EGREP = @EGREP@ |
342 |
|
InstallProgram = @INSTALL_PROGRAM@ |
343 |
|
InstallScript = @INSTALL_SCRIPT@ |
344 |
|
InstallData = @INSTALL_DATA@ |
345 |
|
MkDir = @MKINSTALLDIRS@ |
346 |
< |
Delete = rm -fr |
346 |
> |
Delete = rm -f |
347 |
|
StaticArchiver = @AR@ |
348 |
|
DynamicArchiver = @CC@ |
349 |
|
FortranCompiler = @FC@ |
422 |
|
InstallFiles = $(Executable) |
423 |
|
endif |
424 |
|
InstallCommand = $(InstallProgram) |
425 |
+ |
ifneq "$(words $(LinkTargets))" "0" |
426 |
+ |
MyLinkSource = $(patsubst %, $(MyInstallDir)/%,$(Main)) |
427 |
+ |
MyLinkTargets = $(patsubst %, $(MyInstallDir)/%,$(LinkTargets)) |
428 |
+ |
endif |
429 |
|
endif |
430 |
|
|
431 |
|
ifneq "$(words $(ForcefieldFiles))" "0" |
462 |
|
$(MkDir) $@ |
463 |
|
|
464 |
|
# .c -> .o |
465 |
< |
$(PackageTargetDir)/%.o : %.c |
465 |
> |
$(PackageTargetDir)/%.o : %.c $(MainMakefile) |
466 |
|
$(Print) $@ |
467 |
|
$(CCompiler) $(COptions) -c $(IncludePath) $< -o $@ |
468 |
|
|
469 |
< |
$(PackageParallelTargetDir)/%.o : %.c |
469 |
> |
$(PackageParallelTargetDir)/%.o : %.c $(MainMakefile) |
470 |
|
$(Print) $@ |
471 |
|
$(CCompiler) $(CParallelOptions) -c $(IncludePath) $< -o $@ |
472 |
|
|
473 |
|
ifeq "$(UseMPI)" "yes" |
474 |
< |
%.o : %.c |
474 |
> |
%.o : %.c $(MainMakefile) |
475 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
476 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
477 |
|
else |
478 |
< |
%.o : %.c |
478 |
> |
%.o : %.c $(MainMakefile) |
479 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
480 |
|
endif |
481 |
|
|
482 |
|
# .cpp -> .o |
483 |
< |
$(PackageTargetDir)/%.o : %.cpp |
483 |
> |
$(PackageTargetDir)/%.o : %.cpp $(MainMakefile) |
484 |
|
$(CppCompiler) $(CppOptions) -c $(IncludePath) $< -o $@ |
485 |
|
|
486 |
< |
$(PackageParallelTargetDir)/%.o : %.cpp |
486 |
> |
$(PackageParallelTargetDir)/%.o : %.cpp $(MainMakefile) |
487 |
|
$(CppCompiler) $(CppParallelOptions) -c $(IncludePath) $< -o $@ |
488 |
|
|
489 |
|
ifeq "$(UseMPI)" "yes" |
490 |
< |
%.o : %.cpp |
490 |
> |
%.o : %.cpp $(MainMakefile) |
491 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
492 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
493 |
|
else |
494 |
< |
%.o : %.cpp |
494 |
> |
%.o : %.cpp $(MainMakefile) |
495 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
496 |
|
endif |
497 |
|
|
498 |
|
# .f -> .o |
499 |
< |
$(PackageTargetDir)/%.o : %.f |
499 |
> |
$(PackageTargetDir)/%.o : %.f $(MainMakefile) |
500 |
|
$(FortranCompiler) $(FortranOptions) -c $< -o $@ |
501 |
|
|
502 |
< |
$(PackageParallelTargetDir)/%.o : %.f |
502 |
> |
$(PackageParallelTargetDir)/%.o : %.f $(MainMakefile) |
503 |
|
$(FortranCompiler) $(FortranParallelOptions) -c $< -o $@ |
504 |
|
|
505 |
|
ifeq "$(UseMPI)" "yes" |
506 |
< |
%.o : %.f |
506 |
> |
%.o : %.f $(MainMakefile) |
507 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
508 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
509 |
|
else |
510 |
< |
%.o : %.f |
510 |
> |
%.o : %.f $(MainMakefile) |
511 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
512 |
|
endif |
513 |
|
|
514 |
|
# .F90 -> .o |
515 |
< |
$(PackageTargetDir)/%.o : %.F90 |
515 |
> |
$(PackageTargetDir)/%.o : %.F90 $(MainMakefile) |
516 |
|
$(F90Compiler) $(F90Options) $(IncludePath) -c $< -o $@ |
517 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
518 |
|
$(Move) `ls *.$(ModSuffix)` $(PackageTargetDir);\ |
519 |
|
fi |
520 |
|
|
521 |
< |
$(PackageParallelTargetDir)/%.o : %.F90 |
521 |
> |
$(PackageParallelTargetDir)/%.o : %.F90 $(MainMakefile) |
522 |
|
$(F90Compiler) $(F90ParallelOptions) $(IncludePath) -c $< -o $@ |
523 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
524 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageParallelTargetDir);\ |
525 |
|
fi |
526 |
|
|
527 |
|
ifeq "$(UseMPI)" "yes" |
528 |
< |
%.o : %.F90 |
528 |
> |
%.o : %.F90 $(MainMakefile) |
529 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
530 |
|
if test -n "`ls *.$(ModSuffix)`"; then\ |
531 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\ |
537 |
|
fi |
538 |
|
|
539 |
|
else |
540 |
< |
%.o : %.F90 |
540 |
> |
%.o : %.F90 $(MainMakefile) |
541 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
542 |
|
if test -n "`ls *.$(ModSuffix)`"; then\ |
543 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\ |
644 |
|
$(Doxygen) $(DEV_ROOT)/make/Doxyfile |
645 |
|
|
646 |
|
#GUN make funtions to merge the libraries |
647 |
< |
find_objs = $(shell $(StaticArchiver) -t $(1)) |
647 |
> |
find_objs = $(shell $(StaticArchiver) -t $(1) | $(EGREP) -v "SYMDEF") |
648 |
|
extract_objs = $(shell $(StaticArchiver) -x $(1) $(call find_objs, $(1))) |
649 |
|
create_archive = $(shell $(StaticArchiver) $(StaticArchiverOptions) $(2) $(call find_objs, $(1))) |
650 |
|
remove_objs = $(shell $(Delete) $(call find_objs, $(1))) |
651 |
|
do_create = $(call extract_objs,$(1))$(call create_archive,$(1),$(2))$(call remove_objs,$(1)) |
652 |
+ |
do_link = $(shell $(LN_S) $(1) $(2)) |
653 |
+ |
all_objs = $(foreach thisLib,$(LibNames), $(call find_objs, $(thisLib))) |
654 |
+ |
all_parallel_objs = $(foreach thisLib,$(ParallelLibNames), $(call find_objs, $(thisLib))) |
655 |
+ |
all_lib_objs = $(patsubst %,$(TargetDir)/%,$(call all_objs)) |
656 |
+ |
all_lib_parallel_objs = $(patsubst %,$(TargetDir)/%,$(call all_parallel_objs)) |
657 |
|
|
658 |
|
$(CombinedStaticLib) : $(LibDir)/.stamp_UP |
659 |
< |
$(Print) create $@ |
660 |
< |
$(foreach thisLib,$(LibNames),$(call do_create,$(thisLib),$@)) |
659 |
> |
$(Print) creating $@ |
660 |
> |
$(StaticArchiver) $(StaticArchiverOptions) $@ $(call all_lib_objs) |
661 |
|
$(Ranlib) $(CombinedStaticLib) |
662 |
|
|
663 |
|
$(CombinedParallelStaticLib) : $(LibDir)/.stamp_MPI |
664 |
< |
$(Print) create $@ |
665 |
< |
$(foreach thisLib,$(ParallelLibNames), $(call do_create, $(thisLib), $@)) |
664 |
> |
$(Print) creating $@ |
665 |
> |
$(StaticArchiver) $(StaticArchiverOptions) $@ $(call all_lib_parallel_objs) |
666 |
|
$(Ranlib) $(CombinedParallelStaticLib) |
667 |
|
|
668 |
|
# Executable |
813 |
|
install : $(InstallListLoop) |
814 |
|
$(Print) Done Install |
815 |
|
|
816 |
< |
_installall : _buildall _installdata |
816 |
> |
_installall : _buildall _installdata _installlinks |
817 |
|
|
818 |
|
$(MyInstallDir) : |
819 |
|
$(MkDir) $@ |
824 |
|
$(InstallCommand) $(InstallFiles) $(MyInstallDir) |
825 |
|
endif |
826 |
|
|
827 |
+ |
_installlinks : $(MyInstallDir) |
828 |
+ |
ifneq "$(words $(MyLinkTargets))" "0" |
829 |
+ |
@cd $(MyInstallDir) |
830 |
+ |
$(foreach thisLink,$(MyLinkTargets),$(call do_link,$(MyLinkSource),$(thisLink))) |
831 |
+ |
endif |
832 |
+ |
|
833 |
|
# make statistics |
834 |
|
_statisticsall : |
835 |
|
@$(Print) $(patsubst %,$(CurrentDir)/%,$(SourceFiles)) >> $(DEV_ROOT)/files.tmp |
840 |
|
$(Print) Done statistics. |
841 |
|
|
842 |
|
# make pure |
843 |
< |
$(Executable).pure : |
844 |
< |
$(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
845 |
< |
$(LibList) $(ObjectFiles) -o $@ |
843 |
> |
#$(Executable).pure : |
844 |
> |
# $(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
845 |
> |
# $(LibList) $(ObjectFiles) -o $@ |
846 |
> |
# |
847 |
> |
#pure : $(Executable).pure |
848 |
|
|
819 |
– |
pure : $(Executable).pure |
820 |
– |
|
849 |
|
#make cvslog |
850 |
|
cvslog: |
851 |
|
$(DEV_ROOT)/scripts/cvs2cl |