442 lines
16 KiB
Makefile
442 lines
16 KiB
Makefile
# LAMMPS multiple-machine -*- Makefile -*-
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SHELL = /bin/bash
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PYTHON = python
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#.IGNORE:
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# Definitions
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ROOT = lmp
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EXE = lmp_$@
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ARLIB = liblammps_$@.a
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SHLIB = liblammps_$@.so
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ARLINK = liblammps.a
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SHLINK = liblammps.so
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TMPNAME= tmp_$@_name
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LMPLINK= -L. -llammps_$@
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OBJDIR = Obj_$@
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OBJSHDIR = Obj_shared_$@
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SRC = $(wildcard *.cpp)
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INC = $(filter-out lmpinstalledpkgs.h lmpgitversion.h,$(wildcard *.h))
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OBJ = $(SRC:.cpp=.o)
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SRCLIB = $(filter-out main.cpp,$(SRC))
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OBJLIB = $(filter-out main.o,$(OBJ))
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# Command-line options for mode: static (default), shared, or print
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mode = static
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objdir = $(OBJDIR)
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ifeq ($(mode),shared)
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objdir = $(OBJSHDIR)
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endif
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# Package variables
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# PACKAGE = standard packages
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# PACKUSER = user packagse
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# PACKLIB = all packages that require an additional lib
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# should be PACKSYS + PACKINT + PACKEXT
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# PACKSYS = subset that reqiure a common system library
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# include MPIIO and LB b/c require full MPI, not just STUBS
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# PACKINT = subset that require an internal (provided) library
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# PACKEXT = subset that require an external (downloaded) library
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PACKAGE = asphere body class2 colloid compress coreshell dipole gpu \
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granular kim kokkos kspace latte manybody mc message misc \
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mliap molecule mpiio mscg opt peri poems \
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python qeq replica rigid shock snap spin srd voronoi
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PACKUSER = user-adios user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \
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user-diffraction user-dpd user-drude user-eff user-fep user-h5md \
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user-intel user-lb user-manifold user-meamc user-mesodpd user-mesont \
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user-mgpt user-misc user-mofff user-molfile \
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user-netcdf user-omp user-phonon user-plumed user-ptm user-qmmm \
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user-qtb user-quip user-reaction user-reaxc user-scafacos user-smd user-smtbq \
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user-sdpd user-sph user-tally user-uef user-vtk user-yaff
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PACKLIB = compress gpu kim kokkos latte message mpiio mscg poems \
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python voronoi \
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user-adios user-atc user-awpmd user-colvars user-h5md user-lb user-molfile \
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user-netcdf user-plumed user-qmmm user-quip user-scafacos \
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user-smd user-vtk user-mesont
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PACKSYS = compress mpiio python user-lb
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PACKINT = gpu kokkos message poems user-atc user-awpmd user-colvars user-mesont
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PACKEXT = kim latte mscg voronoi \
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user-adios user-h5md user-molfile user-netcdf user-plumed user-qmmm user-quip \
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user-smd user-vtk
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PACKALL = $(PACKAGE) $(PACKUSER)
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# Helper GNU make function for conversion to upper case without using shell commands
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uppercase_TABLE:=a,A b,B c,C d,D e,E f,F g,G h,H i,I j,J k,K l,L m,M n,N o,O p,P q,Q r,R s,S t,T u,U v,V w,W x,X y,Y z,Z
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uppercase_internal=$(if $1,$$(subst $(firstword $1),$(call uppercase_internal,$(wordlist 2,$(words $1),$1),$2)),$2)
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uppercase=$(eval uppercase_RESULT:=$(call uppercase_internal,$(uppercase_TABLE),$1))$(uppercase_RESULT)
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PACKAGEUC = $(call uppercase,$(PACKAGE))
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PACKUSERUC = $(call uppercase,$(PACKUSER))
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YESDIR = $(call uppercase,$(@:yes-%=%))
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NODIR = $(call uppercase,$(@:no-%=%))
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LIBDIR = $($(@:lib-%=%))
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LIBUSERDIR = $($(@:lib-user-%=%))
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# List of all targets
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help:
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@echo ''
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@echo 'make clean-all delete all object files'
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@echo 'make clean-machine delete object files for one machine'
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@echo 'make mpi-stubs build dummy MPI library in STUBS'
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@echo 'make install-python install LAMMPS wrapper in Python'
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@echo 'make tar create lmp_src.tar.gz for src dir and packages'
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@echo ''
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@echo 'make package list available packages and their dependencies'
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@echo 'make package-status (ps) status of all packages'
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@echo 'make package-installed (pi) list of installed packages'
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@echo 'make yes-package install a single pgk in src dir'
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@echo 'make no-package remove a single pkg from src dir'
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@echo 'make yes-all install all pgks in src dir'
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@echo 'make no-all remove all pkgs from src dir'
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@echo 'make yes-standard (yes-std) install all standard pkgs'
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@echo 'make no-standard (no-std) remove all standard pkgs'
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@echo 'make yes-user install all user pkgs'
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@echo 'make no-user remove all user pkgs'
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@echo 'make yes-lib install all pkgs with libs (included or ext)'
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@echo 'make no-lib remove all pkgs with libs (included or ext)'
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@echo 'make yes-ext install all pkgs with external libs'
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@echo 'make no-ext remove all pkgs with external libs'
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@echo ''
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@echo 'make package-update (pu) replace src files with updated package files'
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@echo 'make package-overwrite replace package files with src files'
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@echo 'make package-diff (pd) diff src files against package files'
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@echo ''
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@echo 'make lib-package help for download/build/install a package library'
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@echo 'make lib-package args="..." download/build/install a package library'
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@echo 'make purge purge obsolete copies of source files'
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@echo ''
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@echo 'make machine build LAMMPS for machine with static library'
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@echo 'make mode=static machine same as above'
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@echo 'make mode=shared machine build LAMMPS for machine with shared library'
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@echo 'make mode=print machine print compiler/linker flags'
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@echo ''
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@echo 'machine is one of these from src/MAKE:'
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@echo ''
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@files="`ls MAKE/Makefile.*`"; \
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for file in $$files; do head -1 $$file; done
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@echo ''
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@echo '... or one of these from src/MAKE/OPTIONS:'
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@echo ''
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@files="`ls MAKE/OPTIONS/Makefile.*`"; \
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for file in $$files; do head -1 $$file; done
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@echo ''
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@echo '... or one of these from src/MAKE/MACHINES:'
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@echo ''
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@files="`ls MAKE/MACHINES/Makefile.*`"; \
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for file in $$files; do head -1 $$file; done
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@echo ''
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@echo '... or one of these from src/MAKE/MINE:'
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@echo ''
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@files="`ls MAKE/MINE/Makefile.* 2>/dev/null`"; \
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for file in $$files; do head -1 $$file; done
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@echo ''
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lmpinstalledpkgs.h: $(SRC) $(INC)
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@echo '#ifndef LMP_INSTALLED_PKGS_H' > ${TMPNAME}.lmpinstalled
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@echo '#define LMP_INSTALLED_PKGS_H' >> ${TMPNAME}.lmpinstalled
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@echo 'const char * LAMMPS_NS::LAMMPS::installed_packages[] = {' >> ${TMPNAME}.lmpinstalled
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@for p in $(PACKAGEUC) $(PACKUSERUC); do info=$$($(SHELL) Package.sh $$p installed); \
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[ -n "$$info" ] && echo "\"$$info\"" | sed -e 's/".*package \(.*\)"/"\1",/' >> ${TMPNAME}.lmpinstalled || :; done
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@echo ' NULL };' >> ${TMPNAME}.lmpinstalled
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@echo '#endif' >> ${TMPNAME}.lmpinstalled
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@if [ -f lmpinstalledpkgs.h ]; \
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then test "`diff --brief ${TMPNAME}.lmpinstalled lmpinstalledpkgs.h`" != "" && \
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mv ${TMPNAME}.lmpinstalled lmpinstalledpkgs.h || rm ${TMPNAME}.lmpinstalled ; \
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else mv ${TMPNAME}.lmpinstalled lmpinstalledpkgs.h ; fi
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gitversion:
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@echo 'Gathering git version information'
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@echo '#ifndef LMP_GIT_VERSION_H' > ${TMPNAME}.lmpgitversion
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@echo '#define LMP_GIT_VERSION_H' >> ${TMPNAME}.lmpgitversion
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@if (type git && test -e ../.git ) >> /dev/null 2>> /dev/null ; then \
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git='true'; \
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commit=$$(git rev-parse HEAD); \
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branch=$$(git rev-parse --abbrev-ref HEAD); \
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describe=$$(git describe --dirty=-modified); \
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else \
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git='false' ; \
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commit='(unknown)' ; \
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branch='(unknown)' ; \
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describe='(unknown)' ; \
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fi ; \
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echo "const bool LAMMPS_NS::LAMMPS::has_git_info = $${git};" >> ${TMPNAME}.lmpgitversion ; \
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echo "const char LAMMPS_NS::LAMMPS::git_commit[] = \"$${commit}\";" >> ${TMPNAME}.lmpgitversion ; \
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echo "const char LAMMPS_NS::LAMMPS::git_branch[] = \"$${branch}\";" >> ${TMPNAME}.lmpgitversion ; \
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echo "const char LAMMPS_NS::LAMMPS::git_descriptor[] = \"$${describe}\";" >> ${TMPNAME}.lmpgitversion
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@echo '#endif' >> ${TMPNAME}.lmpgitversion
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@if [ -f lmpgitversion.h ]; \
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then test "`diff --brief ${TMPNAME}.lmpgitversion lmpgitversion.h`" != "" && \
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mv ${TMPNAME}.lmpgitversion lmpgitversion.h || rm ${TMPNAME}.lmpgitversion ; \
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else mv ${TMPNAME}.lmpgitversion lmpgitversion.h ; fi
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# Build LAMMPS in one of 2 modes
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# static = static compile in Obj_machine (default)
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# shared = shared compile in Obj_shared_machine
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.DEFAULT:
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@if [ $@ = "serial" ]; \
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then cd STUBS; $(MAKE); cd ..; fi
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@test -f MAKE/Makefile.$@ -o -f MAKE/OPTIONS/Makefile.$@ -o \
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-f MAKE/MACHINES/Makefile.$@ -o -f MAKE/MINE/Makefile.$@
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@if [ ! -d $(objdir) ]; then mkdir $(objdir); fi
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@echo 'Gathering installed package information (may take a little while)'
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@$(SHELL) Make.sh style
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@$(SHELL) Make.sh packages
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@$(MAKE) $(MFLAGS) lmpinstalledpkgs.h gitversion
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@echo 'Compiling LAMMPS for machine $@'
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@if [ -f MAKE/MACHINES/Makefile.$@ ]; \
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then cp MAKE/MACHINES/Makefile.$@ $(objdir)/Makefile; fi
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@if [ -f MAKE/OPTIONS/Makefile.$@ ]; \
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then cp MAKE/OPTIONS/Makefile.$@ $(objdir)/Makefile; fi
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@if [ -f MAKE/Makefile.$@ ]; \
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then cp MAKE/Makefile.$@ $(objdir)/Makefile; fi
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@if [ -f MAKE/MINE/Makefile.$@ ]; \
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then cp MAKE/MINE/Makefile.$@ $(objdir)/Makefile; fi
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@if [ ! -e Makefile.package ]; \
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then cp Makefile.package.empty Makefile.package; fi
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@if [ ! -e Makefile.package.settings ]; \
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then cp Makefile.package.settings.empty Makefile.package.settings; fi
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@cp Makefile.package Makefile.package.settings $(objdir)
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@cd $(objdir); rm -f .depend; \
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$(MAKE) $(MFLAGS) "SRC = $(SRC)" "INC = $(INC)" depend || :
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@rm -f $(ARLINK) $(SHLINK) $(EXE)
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ifeq ($(mode),static)
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@cd $(objdir); \
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$(MAKE) $(MFLAGS) "OBJ = $(OBJLIB)" "INC = $(INC)" "SHFLAGS =" \
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"LMPLIB = $(ARLIB)" "ARLIB = $(ARLIB)" "SHLIB = $(SHLIB)" \
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"LMPLINK = $(LMPLINK)" "EXE = ../$(EXE)" ../$(EXE)
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@ln -s $(ARLIB) $(ARLINK)
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endif
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ifeq ($(mode),shared)
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@cd $(objdir); \
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$(MAKE) $(MFLAGS) "OBJ = $(OBJLIB)" "INC = $(INC)" \
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"LMPLIB = $(SHLIB)" "ARLIB = $(ARLIB)" "SHLIB = $(SHLIB)" \
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"LMPLINK = $(LMPLINK)" "EXE = ../$(EXE)" ../$(EXE)
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@ln -s $(SHLIB) $(SHLINK)
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endif
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# backward compatibility
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ifeq ($(mode),exe)
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$(MAKE) $(MFLAGS) mode=static $@
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endif
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ifeq ($(mode),lib)
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$(MAKE) $(MFLAGS) mode=static $@
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endif
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ifeq ($(mode),shexe)
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$(MAKE) $(MFLAGS) mode=shared $@
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endif
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ifeq ($(mode),shlib)
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$(MAKE) $(MFLAGS) mode=shared $@
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endif
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ifeq ($(mode),print)
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@cd $(objdir); \
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$(MAKE) $(MFLAGS) "OBJ = $(OBJLIB)" "INC = $(INC)" \
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"EXE = ../$(ARLIB)" -f ../Makefile.print
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endif
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# Remove machine-specific object files
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clean:
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@echo 'make clean-all delete all object files'
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@echo 'make clean-machine delete object files for one machine'
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clean-all:
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rm -rf Obj_*
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clean-%:
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@if [ $@ = "clean-serial" ]; \
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then cd STUBS; $(MAKE) clean; cd ..; fi
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rm -rf Obj_$(@:clean-%=%) Obj_shared_$(@:clean-%=%)
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# Make MPI STUBS library
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mpi-stubs:
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@cd STUBS; $(MAKE) clean; $(MAKE)
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# install LAMMPS shared lib and Python wrapper for Python usage
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# include python package settings to
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# automatically adapt name of python interpreter
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sinclude ../lib/python/Makefile.lammps
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install-python:
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@$(PYTHON) ../python/install.py -v ../src/version.h \
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-m ../python/lammps.py -l ../src/liblammps.so
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# Create a tarball of src dir and packages
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tar:
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@cd STUBS; $(MAKE) clean
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@cd ..; tar cvzf src/$(ROOT)_src.tar.gz \
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src/Make* src/Package.sh src/Depend.sh src/Install.sh src/Fetch.sh \
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src/MAKE src/DEPEND src/*.cpp src/*.h src/STUBS \
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$(patsubst %,src/%,$(PACKAGEUC)) $(patsubst %,src/%,$(PACKUSERUC)) \
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--exclude=*/.svn
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@cd STUBS; $(MAKE)
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@echo "Created $(ROOT)_src.tar.gz"
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# Package management
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package:
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@echo 'Standard packages:' $(PACKAGE)
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@echo ''
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@echo 'User-contributed packages:' $(PACKUSER)
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@echo ''
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@echo 'Packages that need system libraries:' $(PACKSYS)
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@echo ''
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@echo 'Packages that need provided libraries:' $(PACKINT)
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@echo ''
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@echo 'Packages that need external libraries:' $(PACKEXT)
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@echo ''
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@echo 'make package list available packages'
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@echo 'make package list available packages'
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@echo 'make package-status (ps) status of all packages'
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@echo 'make package-installed (pi) list of installed packages'
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@echo 'make yes-package install a single pgk in src dir'
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@echo 'make no-package remove a single pkg from src dir'
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@echo 'make yes-all install all pgks in src dir'
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@echo 'make no-all remove all pkgs from src dir'
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@echo 'make yes-standard (yes-std) install all standard pkgs'
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@echo 'make no-standard (no-std) remove all standard pkgs'
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@echo 'make yes-user install all user pkgs'
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@echo 'make no-user remove all user pkgs'
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@echo 'make yes-lib install all pkgs with libs (included or ext)'
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@echo 'make no-lib remove all pkgs with libs (included or ext)'
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@echo 'make yes-ext install all pkgs with external libs'
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@echo 'make no-ext remove all pkgs with external libs'
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@echo ''
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@echo 'make package-update (pu) replace src files with package files'
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@echo 'make package-overwrite replace package files with src files'
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@echo 'make package-diff (pd) diff src files against package file'
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@echo ''
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@echo 'make lib-package build and/or download a package library'
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yes-all:
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@for p in $(PACKALL); do $(MAKE) yes-$$p; done
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no-all:
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@for p in $(PACKALL); do $(MAKE) no-$$p; done
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yes-standard yes-std:
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@for p in $(PACKAGE); do $(MAKE) yes-$$p; done
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no-standard no-std:
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@for p in $(PACKAGE); do $(MAKE) no-$$p; done
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yes-user:
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@for p in $(PACKUSER); do $(MAKE) yes-$$p; done
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no-user:
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@for p in $(PACKUSER); do $(MAKE) no-$$p; done
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yes-lib:
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@for p in $(PACKLIB); do $(MAKE) yes-$$p; done
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no-lib:
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@for p in $(PACKLIB); do $(MAKE) no-$$p; done
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yes-ext:
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@for p in $(PACKEXT); do $(MAKE) yes-$$p; done
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no-ext:
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@for p in $(PACKEXT); do $(MAKE) no-$$p; done
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yes-%:
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@if [ ! -e Makefile.package ]; \
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then cp Makefile.package.empty Makefile.package; fi
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@if [ ! -e Makefile.package.settings ]; \
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then cp Makefile.package.settings.empty Makefile.package.settings; fi
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@if [ ! -e $(YESDIR) ]; then \
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echo "Package $(@:yes-%=%) does not exist"; \
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elif [ -e $(YESDIR)/Install.sh ]; then \
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echo "Installing package $(@:yes-%=%)"; \
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cd $(YESDIR); $(SHELL) Install.sh 1; cd ..; \
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$(SHELL) Depend.sh $(YESDIR) 1; \
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else \
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echo "Installing package $(@:yes-%=%)"; \
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cd $(YESDIR); $(SHELL) ../Install.sh 1; cd ..; \
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$(SHELL) Depend.sh $(YESDIR) 1; \
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fi;
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@$(SHELL) Fetch.sh $(YESDIR)
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no-%:
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@if [ ! -e $(NODIR) ]; then \
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echo "Package $(@:no-%=%) does not exist"; \
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elif [ -e $(NODIR)/Install.sh ]; then \
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echo "Uninstalling package $(@:no-%=%)"; \
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cd $(NODIR); $(SHELL) Install.sh 0; cd ..; \
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$(SHELL) Depend.sh $(NODIR) 0; \
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else \
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echo "Uninstalling package $(@:no-%=%)"; \
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cd $(NODIR); $(SHELL) ../Install.sh 0; cd ..; \
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$(SHELL) Depend.sh $(NODIR) 0; \
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fi;
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# download/build/install a package library
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# update the timestamp on main.cpp to trigger a relink with "make machine"
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lib-%:
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@if [ -e ../lib/$(LIBDIR)/Install.py ]; then \
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echo "Installing lib $(@:lib-%=%)"; \
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( cd ../lib/$(LIBDIR); $(PYTHON) Install.py $(args) ); \
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elif [ -e ../lib/$(LIBUSERDIR)/Install.py ]; then \
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echo "Installing lib $(@:lib-user-%=%)"; \
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( cd ../lib/$(LIBUSERDIR); $(PYTHON) Install.py $(args) ); \
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else \
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echo "Install script for lib $(@:lib-%=%) does not exist"; \
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fi; touch main.cpp
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# status = list src files that differ from package files
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# installed = list of installed packages
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# update = replace src files with newer package files
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# overwrite = overwrite package files with newer src files
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# diff = show differences between src and package files
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# purge = delete obsolete and auto-generated package files
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package-status ps:
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@for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p status; done
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@echo ''
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@for p in $(PACKUSERUC); do $(SHELL) Package.sh $$p status; done
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package-installed pi:
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@for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p installed; done
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|
@for p in $(PACKUSERUC); do $(SHELL) Package.sh $$p installed; done
|
|
|
|
package-update pu: purge
|
|
@for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p update; done
|
|
@echo ''
|
|
@for p in $(PACKUSERUC); do $(SHELL) Package.sh $$p update; done
|
|
|
|
package-overwrite: purge
|
|
@for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p overwrite; done
|
|
@echo ''
|
|
@for p in $(PACKUSERUC); do $(SHELL) Package.sh $$p overwrite; done
|
|
|
|
package-diff pd:
|
|
@for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p diff; done
|
|
@echo ''
|
|
@for p in $(PACKUSERUC); do $(SHELL) Package.sh $$p diff; done
|
|
|
|
purge: Purge.list
|
|
@echo 'Purging obsolete and auto-generated source files'
|
|
@for f in `grep -v '#' Purge.list` ; \
|
|
do test -f $$f && rm $$f && echo $$f || : ; \
|
|
done
|