Révision 3 src/Makefile
| Makefile (revision 3) | ||
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# You might also have to edit the location of |
| 6 | 6 |
# some libraries (like mkl for ifort) |
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Machine=arqg
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Machine=gfortran
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########################################### |
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# # |
| ... | ... | |
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# # |
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########################################### |
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ifeq ($(Machine),ifort) |
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# Flags for Ifort |
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COMP=/opt/intel/fc/9.1.036/bin/ifort |
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F90=${COMP}
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LINK=${COMP} -Vaxlib -L/usr/lib/ -L/opt/intel/mkl/8.1/lib/32/ -lguide -lpthread -lmkl_lapack -lmkl_ia32 -lmkl
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# Flags for arq Ifort |
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COMP=ifort |
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#F90=${COMP} -g -check bounds -check format -check uninit -traceback
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F90=${COMP} -g -traceback
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F77=${F90}
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#F90=${COMP}
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LIBMATH= -L/opt/intel/Compiler/11.1/064/mkl/lib/64 \ |
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-Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential \ |
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-lmkl_core -Wl,--end-group |
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LINK=${COMP} -lguide -lpthread -L/usr/lib/
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FreeF=-FR |
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endif |
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ifeq ($(Machine),g95) |
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# Flags for g95 |
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COMP=g95 -g -save-temps -Wall -fbounds-check
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COMP=g95 -g -Wall -fbounds-check |
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#COMP=g95 -fbounds-check -g -ftrace=full -ftrace=frame -save-temps |
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F90=${COMP}
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| 28 | 35 |
F77=${COMP}
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LINK=${COMP} -L/usr/lib/ -llapack -lblas
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LIBMATH= -llapack -lblas |
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LINK=${COMP} -L/usr/lib/
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FreeF=-ffree-form |
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endif |
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ifeq ($(Machine),gfortran) |
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# Flags for gfortran |
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COMP=gfortran -fbounds-check -pedantic -std=gnu
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COMP=gfortran -pedantic -std=gnu |
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#COMP=g95 -fbounds-check -g -ftrace=full -ftrace=frame -save-temps |
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F90=${COMP}
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F77=${COMP}
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LINK=${COMP} -L/usr/lib/ -llapack -lblas
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LIBMATH= -llapack -lblas |
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LINK=${COMP} -L/usr/lib/
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FreeF=-ffree-form |
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endif |
| 42 | 51 |
|
| ... | ... | |
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COMP=pgf90 |
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FLAGS= -mp -fast -Kieee -fastsse -tpp7 -Mipa=fast |
| 48 | 57 |
F90=$(COMP) -c $(FLAGS) |
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LINK=pgf90 $(FLAGS) -L/usr/local/pgi/linux86/6.2/lib -llapack -lblas -lpthread |
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LIBMATH= -llapack -lblas |
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LINK=${COMP} $(FLAGS) -L/usr/local/pgi/linux86/6.2/lib -lpthread
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FreeF=-Mfree |
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endif |
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|
| ... | ... | |
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# Flags for PathScale |
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COMP=/softs/pathscale/bin/pathf90 |
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F90=${COMP}
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LINK=${COMP} -L/usr/lib/ -llapack -lblas
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LIBMATH= -llapack -lblas |
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LINK=${COMP} -L/usr/lib/
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FreeF=-FR |
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endif |
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|
| ... | ... | |
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# Flags for Xlf |
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COMP=xlf |
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F90=${COMP}
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LINK=${COMP} -L/usr/lib/ -llapack -lblas
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LIBMATH= -llapack -lblas |
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LINK=${COMP} -L/usr/lib/
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FreeF=-qfree |
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endif |
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|
| ... | ... | |
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COMP=ifort |
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F90=${COMP}
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F77=${COMP}
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LINK=${COMP} -lguide -lpthread
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LIBMATH= -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential \ |
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-lmkl_core -Wl,--end-group |
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LINK=${COMP} -lguide -lpthread
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FreeF=-FR |
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endif |
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|
| ... | ... | |
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F90=${COMP} -g -check all -traceback
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F77=${F90}
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#F90=${COMP}
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LINK=${COMP} -lguide -lpthread -L/usr/lib/ \
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-L/opt/intel/Compiler/11.1/064/mkl/lib/64 \ |
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LIBMATH= -L/opt/intel/Compiler/11.1/064/mkl/lib/64 \ |
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-Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential \ |
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-lmkl_core -Wl,--end-group -lpthread |
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-lmkl_core -Wl,--end-group |
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LINK=${COMP} -lguide -lpthread -L/usr/lib/
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FreeF=-FR |
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endif |
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|
| ... | ... | |
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F90=${COMP}
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F77=${F90}
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#F90=${COMP}
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LINK=${COMP} -L/usr/lib/ -llapack -lblas
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F90=${COMP}
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LIBMATH= -llapack -lblas |
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LINK=${COMP} -L/usr/lib/
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FreeF=-ffree-form |
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endif |
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|
| ... | ... | |
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F90=${COMP} -g -check all -traceback
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F77=${F90}
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#F90=${COMP}
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LINK=${COMP} -L/softs/intel/v12.0.084/mkl/lib/intel64 \
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-L/softs/intel/v12.0.084/lib/intel64 -L/usr/lib \
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LIBMATH= -L/softs/intel/v12.0.084/mkl/lib/intel64 \
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-L/softs/intel/v12.0.084/lib/intel64 -L/usr/lib \ |
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-Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential \ |
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-lmkl_core -Wl,--end-group |
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LINK=${COMP}
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FreeF=-FR |
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endif |
| 179 | 196 |
|
| ... | ... | |
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F90=${COMP} -g -check all -traceback
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F77=${F90}
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#F90=${COMP}
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LINK=${COMP} -lguide -lpthread -L/usr/lib/ \
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-L/softs/intel/v11.1.069/mkl/lib/em64t \ |
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LIBMATH= -L/softs/intel/v11.1.069/mkl/lib/em64t \ |
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-Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential \ |
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-lmkl_core -Wl,--end-group -lpthread |
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-lmkl_core -Wl,--end-group |
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LINK=${COMP} -lguide -lpthread -L/usr/lib/
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FreeF=-FR |
| 192 | 209 |
endif |
| 193 | 210 |
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ifeq ($(Machine),duo) |
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# Flags for DUO Ifort |
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COMP=/opt/intel/fc/9.1.037/bin/ifort |
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#F90=${COMP} -g -check all
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F90=${COMP}
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LINK=${COMP} -Vaxlib -L/usr/lib/ -L/opt/intel/mkl/8.1/lib/32/ -lguide -lpthread -lmkl_lapack64 -lmkl
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FreeF=-FR |
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endif |
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ifeq ($(Machine),commander) |
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# Flags for Commander Ifort |
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COMP=/opt/intel/fc/9.0/bin/ifort |
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#F90=${COMP} -g -check all
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F90=${COMP}
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LINK=${COMP} -Vaxlib -L/usr/lib/ -L/opt/intel/mkl/8.1/lib/32/ -lguide -lpthread -lmkl_lapack -lmkl_ia32 -lmkl
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FreeF=-FR |
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endif |
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Version=1.0 |
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############################################################### |
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# |
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# Help Makefile |
| ... | ... | |
| 248 | 243 |
egrad_vasp.f90 \ |
| 249 | 244 |
egrad_turbomole.f90 \ |
| 250 | 245 |
egrad_chamfre.f90 \ |
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egrad_LEPS.f90 \ |
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CalcHess.f90 \ |
| 252 | 248 |
Hupdate_all.f90 \ |
| 253 | 249 |
Hupdate_MS.f90 \ |
| ... | ... | |
| 341 | 337 |
SRCLAPACKU=$(wildcard ./lapack/util/*.f ) |
| 342 | 338 |
SRCBLAS=$(wildcard ./blas/*.f ) |
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OBJLAPACK=$(SCRLAPACKD:.f=.o) \
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$(SCRLAPACKU:.f=.o)
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OBJLAPACK=$(SRCLAPACKD:.f=.o) \
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$(SRCLAPACKU:.f=.o)
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OBJBLAS=$(SRCBLAS:.f=.o) |
| 348 | 344 |
|
| ... | ... | |
| 355 | 351 |
ln -s ${PWD}/../utils/xyz2path ../exe/.
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| 356 | 352 |
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path: ${MODo} ${OBJ}
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${LINK} -o Path.exe ${OBJ} ${MODo}
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${LINK} -o Path.exe ${OBJ} ${MODo} ${LIBMATH}
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@echo "" |
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@echo "Path.exe has been created." |
| 361 | 357 |
|
| ... | ... | |
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ar rcs ./blas/blas.a ${OBJBLAS}
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| 390 | 386 |
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clean: |
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rm -f *~ "#"* *.s ${OBJ} ${MOD} ${MODo} ${OBJLAPACK} ${OBJBLAS}
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rm -f *~ "#"* *.s ${OBJ} *.mod ${MODo} ${OBJLAPACK} ${OBJBLAS}
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| 393 | 389 |
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veryclean: clean |
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rm -f Path.exe ./lapack/lapack.a ./blas/blas.a ../utils/xyz2scan ../utils/xyz2path |
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