One bugfix for the Colvars library in the ABF method, and update of the copy of the Lepton library as per the OpenMM repository. List of relevant PR. - 483 Update Lepton via patching procedure https://github.com/Colvars/colvars/pull/483 (@giacomofiorin) - 482 Fix integer overflow in log_gradient_finite_diff and gradient_finite_diff https://github.com/Colvars/colvars/pull/482 (@HanatoK)
109 lines
2.8 KiB
Makefile
109 lines
2.8 KiB
Makefile
# Shared -*- makefile -*- for multiple architectures
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# # Detect settings from PYTHON package (if defined)
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# sinclude ../../src/Makefile.package.settings
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# ifeq ($(python_SYSINC),)
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# COLVARS_PYTHON_INCFLAGS =
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# else
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# COLVARS_PYTHON_INCFLAGS = -DCOLVARS_PYTHON $(python_SYSINC)
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# endif
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# Detect debug settings
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ifeq ($(COLVARS_DEBUG),)
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COLVARS_DEBUG_INCFLAGS =
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else
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COLVARS_DEBUG_INCFLAGS = -DCOLVARS_DEBUG
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endif
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COLVARS_INCFLAGS = -DCOLVARS_LAMMPS $(COLVARS_DEBUG_INCFLAGS) $(COLVARS_PYTHON_INCFLAGS) -I../../src
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.SUFFIXES:
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.SUFFIXES: .cpp .o
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COLVARS_SRCS = \
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colvaratoms.cpp \
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colvarbias_abf.cpp \
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colvarbias_alb.cpp \
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colvarbias.cpp \
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colvarbias_histogram.cpp \
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colvarbias_histogram_reweight_amd.cpp \
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colvarbias_meta.cpp \
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colvarbias_restraint.cpp \
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colvarcomp_alchlambda.cpp \
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colvarcomp_angles.cpp \
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colvarcomp_apath.cpp \
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colvarcomp_coordnums.cpp \
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colvarcomp.cpp \
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colvarcomp_distances.cpp \
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colvarcomp_gpath.cpp \
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colvarcomp_neuralnetwork.cpp \
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colvarcomp_combination.cpp \
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colvarcomp_protein.cpp \
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colvarcomp_rotations.cpp \
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colvarcomp_volmaps.cpp \
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colvar.cpp \
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colvardeps.cpp \
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colvargrid.cpp \
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colvarmodule.cpp \
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colvarparams.cpp \
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colvarparse.cpp \
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colvarproxy.cpp \
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colvarproxy_replicas.cpp \
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colvarproxy_tcl.cpp \
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colvarproxy_volmaps.cpp \
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colvarscript.cpp \
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colvarscript_commands.cpp \
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colvarscript_commands_bias.cpp \
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colvarscript_commands_colvar.cpp \
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colvartypes.cpp \
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colvarvalue.cpp \
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colvar_neuralnetworkcompute.cpp
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LEPTON_SRCS = \
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lepton/src/CompiledExpression.cpp \
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lepton/src/CompiledVectorExpression.cpp \
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lepton/src/ExpressionProgram.cpp \
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lepton/src/ExpressionTreeNode.cpp \
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lepton/src/Operation.cpp \
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lepton/src/ParsedExpression.cpp \
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lepton/src/Parser.cpp
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# Allow to selectively turn off Lepton
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ifeq ($(COLVARS_LEPTON),no)
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LEPTON_INCFLAGS =
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COLVARS_OBJS = $(COLVARS_SRCS:.cpp=.o)
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else
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LEPTON_INCFLAGS = -Ilepton/include -DLEPTON
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COLVARS_OBJS = $(COLVARS_SRCS:.cpp=.o) $(LEPTON_SRCS:.cpp=.o)
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endif
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%.o: %.cpp
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$(CXX) $(CXXFLAGS) $(COLVARS_INCFLAGS) $(LEPTON_INCFLAGS) -c -o $@ $<
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$(COLVARS_LIB): Makefile.deps $(COLVARS_OBJS)
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$(AR) $(ARFLAGS) $(COLVARS_LIB) $(COLVARS_OBJS)
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Makefile.deps: $(COLVARS_SRCS)
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@echo > $@
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@for src in $^ ; do \
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obj=`basename $$src .cpp`.o ; \
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$(CXX) $(CXXFLAGS) -MM $(COLVARS_INCFLAGS) $(LEPTON_INCFLAGS) \
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-MT '$$(COLVARS_OBJ_DIR)'$$obj $$src >> $@ ; \
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done
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include Makefile.deps
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Makefile.lepton.deps: $(LEPTON_SRCS)
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@echo > $@
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@for src in $^ ; do \
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obj=`basename $$src .cpp`.o ; \
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$(CXX) $(CXXFLAGS) -MM $(LEPTON_INCFLAGS) \
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-MT '$$(COLVARS_OBJ_DIR)'$$obj $$src >> $@ ; \
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done
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include Makefile.lepton.deps
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