| 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) |
| 340 |
|
InstallScript = @INSTALL_SCRIPT@ |
| 341 |
|
InstallData = @INSTALL_DATA@ |
| 342 |
|
MkDir = @MKINSTALLDIRS@ |
| 343 |
< |
Delete = rm -fr |
| 343 |
> |
Delete = rm -f |
| 344 |
|
StaticArchiver = @AR@ |
| 345 |
|
DynamicArchiver = @CC@ |
| 346 |
|
FortranCompiler = @FC@ |
| 455 |
|
$(MkDir) $@ |
| 456 |
|
|
| 457 |
|
# .c -> .o |
| 458 |
< |
$(PackageTargetDir)/%.o : %.c |
| 458 |
> |
$(PackageTargetDir)/%.o : %.c $(MainMakefile) |
| 459 |
|
$(Print) $@ |
| 460 |
|
$(CCompiler) $(COptions) -c $(IncludePath) $< -o $@ |
| 461 |
|
|
| 462 |
< |
$(PackageParallelTargetDir)/%.o : %.c |
| 462 |
> |
$(PackageParallelTargetDir)/%.o : %.c $(MainMakefile) |
| 463 |
|
$(Print) $@ |
| 464 |
|
$(CCompiler) $(CParallelOptions) -c $(IncludePath) $< -o $@ |
| 465 |
|
|
| 466 |
|
ifeq "$(UseMPI)" "yes" |
| 467 |
< |
%.o : %.c |
| 467 |
> |
%.o : %.c $(MainMakefile) |
| 468 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
| 469 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
| 470 |
|
else |
| 471 |
< |
%.o : %.c |
| 471 |
> |
%.o : %.c $(MainMakefile) |
| 472 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
| 473 |
|
endif |
| 474 |
|
|
| 475 |
|
# .cpp -> .o |
| 476 |
< |
$(PackageTargetDir)/%.o : %.cpp |
| 476 |
> |
$(PackageTargetDir)/%.o : %.cpp $(MainMakefile) |
| 477 |
|
$(CppCompiler) $(CppOptions) -c $(IncludePath) $< -o $@ |
| 478 |
|
|
| 479 |
< |
$(PackageParallelTargetDir)/%.o : %.cpp |
| 479 |
> |
$(PackageParallelTargetDir)/%.o : %.cpp $(MainMakefile) |
| 480 |
|
$(CppCompiler) $(CppParallelOptions) -c $(IncludePath) $< -o $@ |
| 481 |
|
|
| 482 |
|
ifeq "$(UseMPI)" "yes" |
| 483 |
< |
%.o : %.cpp |
| 483 |
> |
%.o : %.cpp $(MainMakefile) |
| 484 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
| 485 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
| 486 |
|
else |
| 487 |
< |
%.o : %.cpp |
| 487 |
> |
%.o : %.cpp $(MainMakefile) |
| 488 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
| 489 |
|
endif |
| 490 |
|
|
| 491 |
|
# .f -> .o |
| 492 |
< |
$(PackageTargetDir)/%.o : %.f |
| 492 |
> |
$(PackageTargetDir)/%.o : %.f $(MainMakefile) |
| 493 |
|
$(FortranCompiler) $(FortranOptions) -c $< -o $@ |
| 494 |
|
|
| 495 |
< |
$(PackageParallelTargetDir)/%.o : %.f |
| 495 |
> |
$(PackageParallelTargetDir)/%.o : %.f $(MainMakefile) |
| 496 |
|
$(FortranCompiler) $(FortranParallelOptions) -c $< -o $@ |
| 497 |
|
|
| 498 |
|
ifeq "$(UseMPI)" "yes" |
| 499 |
< |
%.o : %.f |
| 499 |
> |
%.o : %.f $(MainMakefile) |
| 500 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
| 501 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
| 502 |
|
else |
| 503 |
< |
%.o : %.f |
| 503 |
> |
%.o : %.f $(MainMakefile) |
| 504 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
| 505 |
|
endif |
| 506 |
|
|
| 507 |
|
# .F90 -> .o |
| 508 |
< |
$(PackageTargetDir)/%.o : %.F90 |
| 508 |
> |
$(PackageTargetDir)/%.o : %.F90 $(MainMakefile) |
| 509 |
|
$(F90Compiler) $(F90Options) $(IncludePath) -c $< -o $@ |
| 510 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
| 511 |
|
$(Move) `ls *.$(ModSuffix)` $(PackageTargetDir);\ |
| 512 |
|
fi |
| 513 |
|
|
| 514 |
< |
$(PackageParallelTargetDir)/%.o : %.F90 |
| 514 |
> |
$(PackageParallelTargetDir)/%.o : %.F90 $(MainMakefile) |
| 515 |
|
$(F90Compiler) $(F90ParallelOptions) $(IncludePath) -c $< -o $@ |
| 516 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
| 517 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageParallelTargetDir);\ |
| 518 |
|
fi |
| 519 |
|
|
| 520 |
|
ifeq "$(UseMPI)" "yes" |
| 521 |
< |
%.o : %.F90 |
| 521 |
> |
%.o : %.F90 $(MainMakefile) |
| 522 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
| 523 |
|
if test -n "`ls *.$(ModSuffix)`"; then\ |
| 524 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\ |
| 530 |
|
fi |
| 531 |
|
|
| 532 |
|
else |
| 533 |
< |
%.o : %.F90 |
| 533 |
> |
%.o : %.F90 $(MainMakefile) |
| 534 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
| 535 |
|
if test -n "`ls *.$(ModSuffix)`"; then\ |
| 536 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\ |
| 822 |
|
$(Print) Done statistics. |
| 823 |
|
|
| 824 |
|
# make pure |
| 825 |
< |
$(Executable).pure : |
| 826 |
< |
$(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
| 827 |
< |
$(LibList) $(ObjectFiles) -o $@ |
| 825 |
> |
#$(Executable).pure : |
| 826 |
> |
# $(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
| 827 |
> |
# $(LibList) $(ObjectFiles) -o $@ |
| 828 |
> |
# |
| 829 |
> |
#pure : $(Executable).pure |
| 830 |
|
|
| 819 |
– |
pure : $(Executable).pure |
| 820 |
– |
|
| 831 |
|
#make cvslog |
| 832 |
|
cvslog: |
| 833 |
|
$(DEV_ROOT)/scripts/cvs2cl |
