a5a1e27fb1
make so that for the "serial" make target we not only automatically build the STUBS library, if it is missing, but also update its compilation when there are changes and remove it on the "clean-serial" target.
443 lines
16 KiB
Makefile
443 lines
16 KiB
Makefile
# LAMMPS multiple-machine -*- Makefile -*-
|
|
|
|
SHELL = /bin/bash
|
|
PYTHON = python
|
|
|
|
#.IGNORE:
|
|
|
|
# Definitions
|
|
|
|
ROOT = lmp
|
|
EXE = lmp_$@
|
|
ARLIB = liblammps_$@.a
|
|
SHLIB = liblammps_$@.so
|
|
ARLINK = liblammps.a
|
|
SHLINK = liblammps.so
|
|
TMPNAME= tmp_$@_name
|
|
|
|
OBJDIR = Obj_$@
|
|
OBJSHDIR = Obj_shared_$@
|
|
|
|
SRC = $(wildcard *.cpp)
|
|
INC = $(filter-out lmpinstalledpkgs.h lmpgitversion.h,$(wildcard *.h))
|
|
OBJ = $(SRC:.cpp=.o)
|
|
|
|
SRCLIB = $(filter-out main.cpp,$(SRC))
|
|
OBJLIB = $(filter-out main.o,$(OBJ))
|
|
|
|
# Command-line options for mode: exe (default), shexe, lib, shlib
|
|
|
|
mode = exe
|
|
objdir = $(OBJDIR)
|
|
|
|
ifeq ($(mode),shexe)
|
|
objdir = $(OBJSHDIR)
|
|
endif
|
|
|
|
ifeq ($(mode),lib)
|
|
objdir = $(OBJDIR)
|
|
endif
|
|
|
|
ifeq ($(mode),shlib)
|
|
objdir = $(OBJSHDIR)
|
|
endif
|
|
|
|
# Package variables
|
|
|
|
# PACKAGE = standard packages
|
|
# PACKUSER = user packagse
|
|
# PACKLIB = all packages that require an additional lib
|
|
# should be PACKSYS + PACKINT + PACKEXT
|
|
# PACKSYS = subset that reqiure a common system library
|
|
# include MPIIO and LB b/c require full MPI, not just STUBS
|
|
# PACKINT = subset that require an internal (provided) library
|
|
# PACKEXT = subset that require an external (downloaded) library
|
|
|
|
PACKAGE = asphere body class2 colloid compress coreshell dipole gpu \
|
|
granular kim kokkos kspace latte manybody mc message misc \
|
|
molecule mpiio mscg opt peri poems \
|
|
python qeq replica rigid shock snap spin srd voronoi
|
|
|
|
PACKUSER = user-adios user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \
|
|
user-diffraction user-dpd user-drude user-eff user-fep user-h5md \
|
|
user-intel user-lb user-manifold user-meamc user-meso \
|
|
user-mgpt user-misc user-mofff user-molfile \
|
|
user-netcdf user-omp user-phonon user-plumed user-ptm user-qmmm \
|
|
user-qtb user-quip user-reaxc user-scafacos user-smd user-smtbq \
|
|
user-sdpd user-sph user-tally user-uef user-vtk user-yaff
|
|
|
|
PACKLIB = compress gpu kim kokkos latte message mpiio mscg poems \
|
|
python voronoi \
|
|
user-adios user-atc user-awpmd user-colvars user-h5md user-lb user-molfile \
|
|
user-netcdf user-plumed user-qmmm user-quip user-scafacos \
|
|
user-smd user-vtk
|
|
|
|
PACKSYS = compress mpiio python user-lb
|
|
|
|
PACKINT = gpu kokkos message poems user-atc user-awpmd user-colvars
|
|
|
|
PACKEXT = kim latte mscg voronoi \
|
|
user-adios user-h5md user-molfile user-netcdf user-plumed user-qmmm user-quip \
|
|
user-smd user-vtk
|
|
|
|
PACKALL = $(PACKAGE) $(PACKUSER)
|
|
|
|
PACKAGEUC = $(shell echo $(PACKAGE) | tr a-z A-Z)
|
|
PACKUSERUC = $(shell echo $(PACKUSER) | tr a-z A-Z)
|
|
|
|
YESDIR = $(shell echo $(@:yes-%=%) | tr a-z A-Z)
|
|
NODIR = $(shell echo $(@:no-%=%) | tr a-z A-Z)
|
|
LIBDIR = $(shell echo $(@:lib-%=%))
|
|
LIBUSERDIR = $(shell echo $(@:lib-user-%=%))
|
|
|
|
# List of all targets
|
|
|
|
help:
|
|
@echo ''
|
|
@echo 'make clean-all delete all object files'
|
|
@echo 'make clean-machine delete object files for one machine'
|
|
@echo 'make mpi-stubs build dummy MPI library in STUBS'
|
|
@echo 'make install-python install LAMMPS wrapper in Python'
|
|
@echo 'make tar create lmp_src.tar.gz for src dir and packages'
|
|
@echo ''
|
|
@echo 'make package list available packages and their dependencies'
|
|
@echo 'make package-status (ps) status of all packages'
|
|
@echo 'make package-installed (pi) list of installed packages'
|
|
@echo 'make yes-package install a single pgk in src dir'
|
|
@echo 'make no-package remove a single pkg from src dir'
|
|
@echo 'make yes-all install all pgks in src dir'
|
|
@echo 'make no-all remove all pkgs from src dir'
|
|
@echo 'make yes-standard (yes-std) install all standard pkgs'
|
|
@echo 'make no-standard (no-std) remove all standard pkgs'
|
|
@echo 'make yes-user install all user pkgs'
|
|
@echo 'make no-user remove all user pkgs'
|
|
@echo 'make yes-lib install all pkgs with libs (included or ext)'
|
|
@echo 'make no-lib remove all pkgs with libs (included or ext)'
|
|
@echo 'make yes-ext install all pkgs with external libs'
|
|
@echo 'make no-ext remove all pkgs with external libs'
|
|
@echo ''
|
|
@echo 'make package-update (pu) replace src files with updated package files'
|
|
@echo 'make package-overwrite replace package files with src files'
|
|
@echo 'make package-diff (pd) diff src files against package files'
|
|
@echo ''
|
|
@echo 'make lib-package help for download/build/install a package library'
|
|
@echo 'make lib-package args="..." download/build/install a package library'
|
|
@echo 'make purge purge obsolete copies of source files'
|
|
@echo ''
|
|
@echo 'make machine build LAMMPS for machine'
|
|
@echo 'make mode=lib machine build LAMMPS as static lib for machine'
|
|
@echo 'make mode=shlib machine build LAMMPS as shared lib for machine'
|
|
@echo 'make mode=shexe machine build LAMMPS as shared exe for machine'
|
|
@echo 'make makelist create Makefile.list used by old makes'
|
|
@echo 'make -f Makefile.list machine build LAMMPS for machine (old)'
|
|
@echo ''
|
|
@echo 'machine is one of these from src/MAKE:'
|
|
@echo ''
|
|
@files="`ls MAKE/Makefile.*`"; \
|
|
for file in $$files; do head -1 $$file; done
|
|
@echo ''
|
|
@echo '... or one of these from src/MAKE/OPTIONS:'
|
|
@echo ''
|
|
@files="`ls MAKE/OPTIONS/Makefile.*`"; \
|
|
for file in $$files; do head -1 $$file; done
|
|
@echo ''
|
|
@echo '... or one of these from src/MAKE/MACHINES:'
|
|
@echo ''
|
|
@files="`ls MAKE/MACHINES/Makefile.*`"; \
|
|
for file in $$files; do head -1 $$file; done
|
|
@echo ''
|
|
@echo '... or one of these from src/MAKE/MINE:'
|
|
@echo ''
|
|
@files="`ls MAKE/MINE/Makefile.* 2>/dev/null`"; \
|
|
for file in $$files; do head -1 $$file; done
|
|
@echo ''
|
|
|
|
|
|
lmpinstalledpkgs.h: $(SRC) $(INC)
|
|
@echo '#ifndef LMP_INSTALLED_PKGS_H' > ${TMPNAME}.lmpinstalled
|
|
@echo '#define LMP_INSTALLED_PKGS_H' >> ${TMPNAME}.lmpinstalled
|
|
@echo 'const char * LAMMPS_NS::LAMMPS::installed_packages[] = {' >> ${TMPNAME}.lmpinstalled
|
|
@for p in $(PACKAGEUC) $(PACKUSERUC); do info=$$($(SHELL) Package.sh $$p installed); \
|
|
[ -n "$$info" ] && echo "\"$$info\"" | sed -e 's/".*package \(.*\)"/"\1",/' >> ${TMPNAME}.lmpinstalled || :; done
|
|
@echo ' NULL };' >> ${TMPNAME}.lmpinstalled
|
|
@echo '#endif' >> ${TMPNAME}.lmpinstalled
|
|
@if [ -f lmpinstalledpkgs.h ]; \
|
|
then test "`diff --brief ${TMPNAME}.lmpinstalled lmpinstalledpkgs.h`" != "" && \
|
|
mv ${TMPNAME}.lmpinstalled lmpinstalledpkgs.h || rm ${TMPNAME}.lmpinstalled ; \
|
|
else mv ${TMPNAME}.lmpinstalled lmpinstalledpkgs.h ; fi
|
|
|
|
gitversion:
|
|
@echo 'Gathering git version information'
|
|
@echo '#ifndef LMP_GIT_VERSION_H' > ${TMPNAME}.lmpgitversion
|
|
@echo '#define LMP_GIT_VERSION_H' >> ${TMPNAME}.lmpgitversion
|
|
@if (type git && test -e ../.git ) >> /dev/null 2>> /dev/null ; then \
|
|
git='true'; \
|
|
commit=$$(git rev-parse HEAD); \
|
|
branch=$$(git rev-parse --abbrev-ref HEAD); \
|
|
describe=$$(git describe --dirty=-modified); \
|
|
else \
|
|
git='false' ; \
|
|
commit='(unknown)' ; \
|
|
branch='(unknown)' ; \
|
|
describe='(unknown)' ; \
|
|
fi ; \
|
|
echo "const bool LAMMPS_NS::LAMMPS::has_git_info = $${git};" >> ${TMPNAME}.lmpgitversion ; \
|
|
echo "const char LAMMPS_NS::LAMMPS::git_commit[] = \"$${commit}\";" >> ${TMPNAME}.lmpgitversion ; \
|
|
echo "const char LAMMPS_NS::LAMMPS::git_branch[] = \"$${branch}\";" >> ${TMPNAME}.lmpgitversion ; \
|
|
echo "const char LAMMPS_NS::LAMMPS::git_descriptor[] = \"$${describe}\";" >> ${TMPNAME}.lmpgitversion
|
|
@echo '#endif' >> ${TMPNAME}.lmpgitversion
|
|
@if [ -f lmpgitversion.h ]; \
|
|
then test "`diff --brief ${TMPNAME}.lmpgitversion lmpgitversion.h`" != "" && \
|
|
mv ${TMPNAME}.lmpgitversion lmpgitversion.h || rm ${TMPNAME}.lmpgitversion ; \
|
|
else mv ${TMPNAME}.lmpgitversion lmpgitversion.h ; fi
|
|
|
|
# Build LAMMPS in one of 4 modes
|
|
# exe = exe with static compile in Obj_machine (default)
|
|
# shexe = exe with shared compile in Obj_shared_machine
|
|
# lib = static lib in Obj_machine
|
|
# shlib = shared lib in Obj_shared_machine
|
|
|
|
.DEFAULT:
|
|
@if [ $@ = "serial" ]; \
|
|
then cd STUBS; $(MAKE); cd ..; fi
|
|
@test -f MAKE/Makefile.$@ -o -f MAKE/OPTIONS/Makefile.$@ -o \
|
|
-f MAKE/MACHINES/Makefile.$@ -o -f MAKE/MINE/Makefile.$@
|
|
@if [ ! -d $(objdir) ]; then mkdir $(objdir); fi
|
|
@echo 'Gathering installed package information (may take a little while)'
|
|
@$(SHELL) Make.sh style
|
|
@$(SHELL) Make.sh packages
|
|
@$(MAKE) $(MFLAGS) lmpinstalledpkgs.h gitversion
|
|
@echo 'Compiling LAMMPS for machine $@'
|
|
@if [ -f MAKE/MACHINES/Makefile.$@ ]; \
|
|
then cp MAKE/MACHINES/Makefile.$@ $(objdir)/Makefile; fi
|
|
@if [ -f MAKE/OPTIONS/Makefile.$@ ]; \
|
|
then cp MAKE/OPTIONS/Makefile.$@ $(objdir)/Makefile; fi
|
|
@if [ -f MAKE/Makefile.$@ ]; \
|
|
then cp MAKE/Makefile.$@ $(objdir)/Makefile; fi
|
|
@if [ -f MAKE/MINE/Makefile.$@ ]; \
|
|
then cp MAKE/MINE/Makefile.$@ $(objdir)/Makefile; fi
|
|
@if [ ! -e Makefile.package ]; \
|
|
then cp Makefile.package.empty Makefile.package; fi
|
|
@if [ ! -e Makefile.package.settings ]; \
|
|
then cp Makefile.package.settings.empty Makefile.package.settings; fi
|
|
@cp Makefile.package Makefile.package.settings $(objdir)
|
|
@cd $(objdir); rm -f .depend; \
|
|
$(MAKE) $(MFLAGS) "SRC = $(SRC)" "INC = $(INC)" depend || :
|
|
ifeq ($(mode),exe)
|
|
@cd $(objdir); \
|
|
$(MAKE) $(MFLAGS) "OBJ = $(OBJ)" "INC = $(INC)" "SHFLAGS =" \
|
|
"EXE = ../$(EXE)" ../$(EXE)
|
|
endif
|
|
ifeq ($(mode),shexe)
|
|
@cd $(objdir); \
|
|
$(MAKE) $(MFLAGS) "OBJ = $(OBJ)" "INC = $(INC)" \
|
|
"EXE = ../$(EXE)" ../$(EXE)
|
|
endif
|
|
ifeq ($(mode),lib)
|
|
@cd $(objdir); \
|
|
$(MAKE) $(MFLAGS) "OBJ = $(OBJLIB)" "INC = $(INC)" "SHFLAGS =" \
|
|
"EXE = ../$(ARLIB)" lib
|
|
@rm -f $(ARLINK)
|
|
@ln -s $(ARLIB) $(ARLINK)
|
|
endif
|
|
ifeq ($(mode),shlib)
|
|
@cd $(objdir); \
|
|
$(MAKE) $(MFLAGS) "OBJ = $(OBJLIB)" "INC = $(INC)" \
|
|
"EXE = ../$(SHLIB)" shlib
|
|
@rm -f $(SHLINK)
|
|
@ln -s $(SHLIB) $(SHLINK)
|
|
endif
|
|
|
|
# Remove machine-specific object files
|
|
|
|
clean:
|
|
@echo 'make clean-all delete all object files'
|
|
@echo 'make clean-machine delete object files for one machine'
|
|
|
|
clean-all:
|
|
rm -rf Obj_*
|
|
|
|
clean-%:
|
|
@if [ $@ = "clean-serial" ]; \
|
|
then cd STUBS; $(MAKE) clean; cd ..; fi
|
|
rm -rf Obj_$(@:clean-%=%) Obj_shared_$(@:clean-%=%)
|
|
|
|
# Create Makefile.list
|
|
|
|
makelist:
|
|
@$(SHELL) Make.sh style
|
|
@$(SHELL) Make.sh Makefile.list
|
|
|
|
# Make MPI STUBS library
|
|
|
|
mpi-stubs:
|
|
@cd STUBS; $(MAKE) clean; $(MAKE)
|
|
|
|
# install LAMMPS shared lib and Python wrapper for Python usage
|
|
# include python package settings to
|
|
# automatically adapt name of python interpreter
|
|
|
|
sinclude ../lib/python/Makefile.lammps
|
|
install-python:
|
|
@$(PYTHON) ../python/install.py -v ../src/version.h \
|
|
-m ../python/lammps.py -l ../src/liblammps.so
|
|
|
|
# Create a tarball of src dir and packages
|
|
|
|
tar:
|
|
@cd STUBS; $(MAKE) clean
|
|
@cd ..; tar cvzf src/$(ROOT)_src.tar.gz \
|
|
src/Make* src/Package.sh src/Depend.sh src/Install.sh \
|
|
src/MAKE src/DEPEND src/*.cpp src/*.h src/STUBS \
|
|
$(patsubst %,src/%,$(PACKAGEUC)) $(patsubst %,src/%,$(PACKUSERUC)) \
|
|
--exclude=*/.svn
|
|
@cd STUBS; $(MAKE)
|
|
@echo "Created $(ROOT)_src.tar.gz"
|
|
|
|
# Package management
|
|
|
|
package:
|
|
@echo 'Standard packages:' $(PACKAGE)
|
|
@echo ''
|
|
@echo 'User-contributed packages:' $(PACKUSER)
|
|
@echo ''
|
|
@echo 'Packages that need system libraries:' $(PACKSYS)
|
|
@echo ''
|
|
@echo 'Packages that need provided libraries:' $(PACKINT)
|
|
@echo ''
|
|
@echo 'Packages that need external libraries:' $(PACKEXT)
|
|
@echo ''
|
|
@echo 'make package list available packages'
|
|
@echo 'make package list available packages'
|
|
@echo 'make package-status (ps) status of all packages'
|
|
@echo 'make package-installed (pi) list of installed packages'
|
|
@echo 'make yes-package install a single pgk in src dir'
|
|
@echo 'make no-package remove a single pkg from src dir'
|
|
@echo 'make yes-all install all pgks in src dir'
|
|
@echo 'make no-all remove all pkgs from src dir'
|
|
@echo 'make yes-standard (yes-std) install all standard pkgs'
|
|
@echo 'make no-standard (no-std) remove all standard pkgs'
|
|
@echo 'make yes-user install all user pkgs'
|
|
@echo 'make no-user remove all user pkgs'
|
|
@echo 'make yes-lib install all pkgs with libs (included or ext)'
|
|
@echo 'make no-lib remove all pkgs with libs (included or ext)'
|
|
@echo 'make yes-ext install all pkgs with external libs'
|
|
@echo 'make no-ext remove all pkgs with external libs'
|
|
@echo ''
|
|
@echo 'make package-update (pu) replace src files with package files'
|
|
@echo 'make package-overwrite replace package files with src files'
|
|
@echo 'make package-diff (pd) diff src files against package file'
|
|
@echo ''
|
|
@echo 'make lib-package build and/or download a package library'
|
|
|
|
yes-all:
|
|
@for p in $(PACKALL); do $(MAKE) yes-$$p; done
|
|
|
|
no-all:
|
|
@for p in $(PACKALL); do $(MAKE) no-$$p; done
|
|
|
|
yes-standard yes-std:
|
|
@for p in $(PACKAGE); do $(MAKE) yes-$$p; done
|
|
|
|
no-standard no-std:
|
|
@for p in $(PACKAGE); do $(MAKE) no-$$p; done
|
|
|
|
yes-user:
|
|
@for p in $(PACKUSER); do $(MAKE) yes-$$p; done
|
|
|
|
no-user:
|
|
@for p in $(PACKUSER); do $(MAKE) no-$$p; done
|
|
|
|
yes-lib:
|
|
@for p in $(PACKLIB); do $(MAKE) yes-$$p; done
|
|
|
|
no-lib:
|
|
@for p in $(PACKLIB); do $(MAKE) no-$$p; done
|
|
|
|
yes-ext:
|
|
@for p in $(PACKEXT); do $(MAKE) yes-$$p; done
|
|
|
|
no-ext:
|
|
@for p in $(PACKEXT); do $(MAKE) no-$$p; done
|
|
|
|
yes-%:
|
|
@if [ ! -e Makefile.package ]; \
|
|
then cp Makefile.package.empty Makefile.package; fi
|
|
@if [ ! -e Makefile.package.settings ]; \
|
|
then cp Makefile.package.settings.empty Makefile.package.settings; fi
|
|
@if [ ! -e $(YESDIR) ]; then \
|
|
echo "Package $(@:yes-%=%) does not exist"; \
|
|
elif [ -e $(YESDIR)/Install.sh ]; then \
|
|
echo "Installing package $(@:yes-%=%)"; \
|
|
cd $(YESDIR); $(SHELL) Install.sh 1; cd ..; \
|
|
$(SHELL) Depend.sh $(YESDIR) 1; \
|
|
else \
|
|
echo "Installing package $(@:yes-%=%)"; \
|
|
cd $(YESDIR); $(SHELL) ../Install.sh 1; cd ..; \
|
|
$(SHELL) Depend.sh $(YESDIR) 1; \
|
|
fi;
|
|
|
|
no-%:
|
|
@if [ ! -e $(NODIR) ]; then \
|
|
echo "Package $(@:no-%=%) does not exist"; \
|
|
elif [ -e $(NODIR)/Install.sh ]; then \
|
|
echo "Uninstalling package $(@:no-%=%)"; \
|
|
cd $(NODIR); $(SHELL) Install.sh 0; cd ..; \
|
|
$(SHELL) Depend.sh $(NODIR) 0; \
|
|
else \
|
|
echo "Uninstalling package $(@:no-%=%)"; \
|
|
cd $(NODIR); $(SHELL) ../Install.sh 0; cd ..; \
|
|
$(SHELL) Depend.sh $(NODIR) 0; \
|
|
fi;
|
|
|
|
# download/build/install a package library
|
|
# update the timestamp on main.cpp to trigger a relink with "make machine"
|
|
|
|
lib-%:
|
|
@if [ -e ../lib/$(LIBDIR)/Install.py ]; then \
|
|
echo "Installing lib $(@:lib-%=%)"; \
|
|
( cd ../lib/$(LIBDIR); $(PYTHON) Install.py $(args) ); \
|
|
elif [ -e ../lib/$(LIBUSERDIR)/Install.py ]; then \
|
|
echo "Installing lib $(@:lib-user-%=%)"; \
|
|
( cd ../lib/$(LIBUSERDIR); $(PYTHON) Install.py $(args) ); \
|
|
else \
|
|
echo "Install script for lib $(@:lib-%=%) does not exist"; \
|
|
fi; touch main.cpp
|
|
|
|
# status = list src files that differ from package files
|
|
# installed = list of installed packages
|
|
# update = replace src files with newer package files
|
|
# overwrite = overwrite package files with newer src files
|
|
# diff = show differences between src and package files
|
|
# purge = delete obsolete and auto-generated package files
|
|
|
|
package-status ps:
|
|
@for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p status; done
|
|
@echo ''
|
|
@for p in $(PACKUSERUC); do $(SHELL) Package.sh $$p status; done
|
|
|
|
package-installed pi:
|
|
@for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p installed; done
|
|
@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
|