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update traditional make build support for shaking Lepton between LEPTON and COLVARS

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This commit is contained in:
Axel Kohlmeyer
2022-12-27 11:16:09 -05:00
parent 989ec1b859
commit 7e984bfa2c
5 changed files with 398 additions and 421 deletions
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21
lib/colvars/Makefile.common
View File

@ -61,22 +61,12 @@ COLVARS_SRCS = \
colvarvalue.cpp \
colvar_neuralnetworkcompute.cpp
LEPTON_SRCS = \
lepton/src/CompiledExpression.cpp \
lepton/src/CompiledVectorExpression.cpp \
lepton/src/ExpressionProgram.cpp \
lepton/src/ExpressionTreeNode.cpp \
lepton/src/Operation.cpp \
lepton/src/ParsedExpression.cpp \
lepton/src/Parser.cpp
# Allow to selectively turn off Lepton
ifeq ($(COLVARS_LEPTON),no)
LEPTON_INCFLAGS =
COLVARS_OBJS = $(COLVARS_SRCS:.cpp=.o)
else
LEPTON_INCFLAGS = -Ilepton/include -DLEPTON
COLVARS_OBJS = $(COLVARS_SRCS:.cpp=.o) $(LEPTON_SRCS:.cpp=.o)
LEPTON_INCFLAGS = -I../lepton/include -DLEPTON
endif
@ -97,12 +87,3 @@ Makefile.deps: $(COLVARS_SRCS)
include Makefile.deps
Makefile.lepton.deps: $(LEPTON_SRCS)
@echo > $@
@for src in $^ ; do \
obj=`basename $$src .cpp`.o ; \
$(CXX) $(CXXFLAGS) -MM $(LEPTON_INCFLAGS) \
-MT '$$(COLVARS_OBJ_DIR)'$$obj $$src >> $@ ; \
done
include Makefile.lepton.deps

697
lib/colvars/Makefile.deps
View File

@ -5,327 +5,367 @@ $(COLVARS_OBJ_DIR)colvaratoms.o: colvaratoms.cpp colvarmodule.h \
colvaratoms.h colvardeps.h
$(COLVARS_OBJ_DIR)colvarbias_abf.o: colvarbias_abf.cpp colvarmodule.h \
colvars_version.h colvar.h colvarvalue.h colvartypes.h colvarparse.h \
colvarparams.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarbias_abf.h colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvarbias.h colvargrid.h colvar_UIestimator.h
colvarparams.h colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarbias_abf.h colvarproxy.h \
colvarproxy_tcl.h colvarproxy_volmaps.h colvarbias.h colvargrid.h \
colvar_UIestimator.h
$(COLVARS_OBJ_DIR)colvarbias_alb.o: colvarbias_alb.cpp colvarmodule.h \
colvars_version.h colvarbias.h colvar.h colvarvalue.h colvartypes.h \
colvarparse.h colvarparams.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarbias_alb.h
colvarparse.h colvarparams.h colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarbias_alb.h
$(COLVARS_OBJ_DIR)colvarbias.o: colvarbias.cpp colvarmodule.h \
colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h \
colvarproxy_tcl.h colvarproxy_volmaps.h colvarbias.h colvar.h \
colvarparse.h colvarparams.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvargrid.h
colvarparse.h colvarparams.h colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvargrid.h
$(COLVARS_OBJ_DIR)colvarbias_histogram.o: colvarbias_histogram.cpp \
colvarmodule.h colvars_version.h colvarproxy.h colvartypes.h \
colvarvalue.h colvarproxy_tcl.h colvarproxy_volmaps.h colvar.h \
colvarparse.h colvarparams.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarbias_histogram.h colvarbias.h colvargrid.h
colvarparse.h colvarparams.h colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarbias_histogram.h colvarbias.h \
colvargrid.h
$(COLVARS_OBJ_DIR)colvarbias_histogram_reweight_amd.o: \
colvarbias_histogram_reweight_amd.cpp \
colvarbias_histogram_reweight_amd.h colvarbias_histogram.h colvarbias.h \
colvar.h colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
colvarparse.h colvarparams.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvargrid.h colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h
colvarparse.h colvarparams.h colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvargrid.h colvarproxy.h \
colvarproxy_tcl.h colvarproxy_volmaps.h
$(COLVARS_OBJ_DIR)colvarbias_meta.o: colvarbias_meta.cpp colvarmodule.h \
colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h \
colvarproxy_tcl.h colvarproxy_volmaps.h colvar.h colvarparse.h \
colvarparams.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarbias_meta.h colvarbias.h colvargrid.h
colvarparams.h colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarbias_meta.h colvarbias.h \
colvargrid.h
$(COLVARS_OBJ_DIR)colvarbias_restraint.o: colvarbias_restraint.cpp \
colvarmodule.h colvars_version.h colvarproxy.h colvartypes.h \
colvarvalue.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvarbias_restraint.h colvarbias.h colvar.h colvarparse.h \
colvarparams.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h
colvarparams.h colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h
$(COLVARS_OBJ_DIR)colvarcomp_alchlambda.o: colvarcomp_alchlambda.cpp \
colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
colvarparse.h colvarparams.h colvar.h colvardeps.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvar_arithmeticpath.h colvar_geometricpath.h
../lepton/include/Lepton.h ../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarcomp.h colvaratoms.h \
colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar_arithmeticpath.h colvar_geometricpath.h
$(COLVARS_OBJ_DIR)colvarcomp_angles.o: colvarcomp_angles.cpp \
colvarmodule.h colvars_version.h colvar.h colvarvalue.h colvartypes.h \
colvarparse.h colvarparams.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvar_arithmeticpath.h colvar_geometricpath.h
colvarparse.h colvarparams.h colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarcomp.h colvaratoms.h \
colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar_arithmeticpath.h colvar_geometricpath.h
$(COLVARS_OBJ_DIR)colvarcomp_apath.o: colvarcomp_apath.cpp colvarmodule.h \
colvars_version.h colvarvalue.h colvartypes.h colvarparse.h \
colvarparams.h colvar.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvar_arithmeticpath.h colvar_geometricpath.h
colvarparams.h colvar.h colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarcomp.h colvaratoms.h \
colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar_arithmeticpath.h colvar_geometricpath.h
$(COLVARS_OBJ_DIR)colvarcomp_coordnums.o: colvarcomp_coordnums.cpp \
colvarmodule.h colvars_version.h colvarparse.h colvarvalue.h \
colvartypes.h colvarparams.h colvaratoms.h colvarproxy.h \
colvarproxy_tcl.h colvarproxy_volmaps.h colvardeps.h colvar.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvar_arithmeticpath.h colvar_geometricpath.h
../lepton/include/Lepton.h ../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarcomp.h colvar_arithmeticpath.h \
colvar_geometricpath.h
$(COLVARS_OBJ_DIR)colvarcomp.o: colvarcomp.cpp colvarmodule.h \
colvars_version.h colvarvalue.h colvartypes.h colvar.h colvarparse.h \
colvarparams.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvar_arithmeticpath.h colvar_geometricpath.h
colvarparams.h colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarcomp.h colvaratoms.h \
colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar_arithmeticpath.h colvar_geometricpath.h
$(COLVARS_OBJ_DIR)colvarcomp_distances.o: colvarcomp_distances.cpp \
colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
colvarparse.h colvarparams.h colvar.h colvardeps.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvar_arithmeticpath.h colvar_geometricpath.h
../lepton/include/Lepton.h ../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarcomp.h colvaratoms.h \
colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar_arithmeticpath.h colvar_geometricpath.h
$(COLVARS_OBJ_DIR)colvarcomp_gpath.o: colvarcomp_gpath.cpp colvarmodule.h \
colvars_version.h colvarvalue.h colvartypes.h colvarparse.h \
colvarparams.h colvar.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvar_arithmeticpath.h colvar_geometricpath.h
colvarparams.h colvar.h colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarcomp.h colvaratoms.h \
colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar_arithmeticpath.h colvar_geometricpath.h
$(COLVARS_OBJ_DIR)colvarcomp_neuralnetwork.o: \
colvarcomp_neuralnetwork.cpp colvarmodule.h colvars_version.h \
colvarvalue.h colvartypes.h colvarparse.h colvarparams.h colvar.h \
colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvar_arithmeticpath.h colvar_geometricpath.h \
colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
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../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarcomp.h colvaratoms.h \
colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar_arithmeticpath.h colvar_geometricpath.h \
colvar_neuralnetworkcompute.h
$(COLVARS_OBJ_DIR)colvarcomp_combination.o: colvarcomp_combination.cpp \
colvarcomp.h colvarmodule.h colvars_version.h colvar.h colvarvalue.h \
colvartypes.h colvarparse.h colvarparams.h colvardeps.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvaratoms.h colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar_arithmeticpath.h colvar_geometricpath.h
../lepton/include/Lepton.h ../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvaratoms.h colvarproxy.h \
colvarproxy_tcl.h colvarproxy_volmaps.h colvar_arithmeticpath.h \
colvar_geometricpath.h
$(COLVARS_OBJ_DIR)colvarcomp_protein.o: colvarcomp_protein.cpp \
colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
colvarparse.h colvarparams.h colvar.h colvardeps.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvar_arithmeticpath.h colvar_geometricpath.h
../lepton/include/Lepton.h ../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarcomp.h colvaratoms.h \
colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar_arithmeticpath.h colvar_geometricpath.h
$(COLVARS_OBJ_DIR)colvarcomp_rotations.o: colvarcomp_rotations.cpp \
colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
colvarparse.h colvarparams.h colvar.h colvardeps.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvar_arithmeticpath.h colvar_geometricpath.h
../lepton/include/Lepton.h ../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarcomp.h colvaratoms.h \
colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar_arithmeticpath.h colvar_geometricpath.h
$(COLVARS_OBJ_DIR)colvarcomp_volmaps.o: colvarcomp_volmaps.cpp \
colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
colvarparse.h colvarparams.h colvar.h colvardeps.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvar_arithmeticpath.h colvar_geometricpath.h
../lepton/include/Lepton.h ../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarcomp.h colvaratoms.h \
colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar_arithmeticpath.h colvar_geometricpath.h
$(COLVARS_OBJ_DIR)colvar.o: colvar.cpp colvarmodule.h colvars_version.h \
colvarvalue.h colvartypes.h colvarparse.h colvarparams.h colvar.h \
colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvar_arithmeticpath.h colvar_geometricpath.h \
colvarscript.h colvarbias.h colvarscript_commands.h \
colvarscript_commands_colvar.h colvarscript_commands_bias.h
colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarcomp.h colvaratoms.h \
colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar_arithmeticpath.h colvar_geometricpath.h colvarscript.h \
colvarbias.h colvarscript_commands.h colvarscript_commands_colvar.h \
colvarscript_commands_bias.h
$(COLVARS_OBJ_DIR)colvardeps.o: colvardeps.cpp colvarmodule.h \
colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h \
colvarproxy_tcl.h colvarproxy_volmaps.h colvardeps.h colvarparse.h \
colvarparams.h
$(COLVARS_OBJ_DIR)colvargrid.o: colvargrid.cpp colvarmodule.h \
colvars_version.h colvarvalue.h colvartypes.h colvarparse.h \
colvarparams.h colvar.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarcomp.h colvaratoms.h colvarproxy.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvar_arithmeticpath.h colvar_geometricpath.h \
colvargrid.h
colvarparams.h colvar.h colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarcomp.h colvaratoms.h \
colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar_arithmeticpath.h colvar_geometricpath.h colvargrid.h
$(COLVARS_OBJ_DIR)colvarmodule.o: colvarmodule.cpp colvarmodule.h \
colvars_version.h colvarparse.h colvarvalue.h colvartypes.h \
colvarparams.h colvarproxy.h colvarproxy_tcl.h colvarproxy_volmaps.h \
colvar.h colvardeps.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarbias.h colvarbias_abf.h colvargrid.h colvar_UIestimator.h \
colvarbias_alb.h colvarbias_histogram.h \
colvarbias_histogram_reweight_amd.h colvarbias_meta.h \
colvarbias_restraint.h colvarscript.h colvarscript_commands.h \
colvarscript_commands_colvar.h colvarscript_commands_bias.h \
colvaratoms.h colvarcomp.h colvar_arithmeticpath.h \
colvar_geometricpath.h colvarmodule_refs.h
colvar.h colvardeps.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarbias.h colvarbias_abf.h \
colvargrid.h colvar_UIestimator.h colvarbias_alb.h \
colvarbias_histogram.h colvarbias_histogram_reweight_amd.h \
colvarbias_meta.h colvarbias_restraint.h colvarscript.h \
colvarscript_commands.h colvarscript_commands_colvar.h \
colvarscript_commands_bias.h colvaratoms.h colvarcomp.h \
colvar_arithmeticpath.h colvar_geometricpath.h colvarmodule_refs.h
$(COLVARS_OBJ_DIR)colvarparams.o: colvarparams.cpp colvarmodule.h \
colvars_version.h colvarvalue.h colvartypes.h colvarparams.h
$(COLVARS_OBJ_DIR)colvarparse.o: colvarparse.cpp colvarmodule.h \
@ -335,17 +375,19 @@ $(COLVARS_OBJ_DIR)colvarproxy.o: colvarproxy.cpp colvarmodule.h \
colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h \
colvarproxy_tcl.h colvarproxy_volmaps.h colvarscript.h colvarbias.h \
colvar.h colvarparse.h colvarparams.h colvardeps.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarscript_commands.h colvarscript_commands_colvar.h \
colvarscript_commands_bias.h colvaratoms.h colvarmodule_utils.h
../lepton/include/Lepton.h ../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarscript_commands.h \
colvarscript_commands_colvar.h colvarscript_commands_bias.h \
colvaratoms.h colvarmodule_utils.h
$(COLVARS_OBJ_DIR)colvarproxy_replicas.o: colvarproxy_replicas.cpp \
colvarmodule.h colvars_version.h colvarproxy.h colvartypes.h \
colvarvalue.h colvarproxy_tcl.h colvarproxy_volmaps.h
@ -360,64 +402,68 @@ $(COLVARS_OBJ_DIR)colvarscript.o: colvarscript.cpp colvarproxy.h \
colvarmodule.h colvars_version.h colvartypes.h colvarvalue.h \
colvarproxy_tcl.h colvarproxy_volmaps.h colvardeps.h colvarparse.h \
colvarparams.h colvarscript.h colvarbias.h colvar.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarscript_commands.h colvarscript_commands_colvar.h \
colvarscript_commands_bias.h
../lepton/include/Lepton.h ../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarscript_commands.h \
colvarscript_commands_colvar.h colvarscript_commands_bias.h
$(COLVARS_OBJ_DIR)colvarscript_commands.o: colvarscript_commands.cpp \
colvarproxy.h colvarmodule.h colvars_version.h colvartypes.h \
colvarvalue.h colvarproxy_tcl.h colvarproxy_volmaps.h colvardeps.h \
colvarparse.h colvarparams.h colvarscript.h colvarbias.h colvar.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarscript_commands.h colvarscript_commands_colvar.h \
colvarscript_commands_bias.h
../lepton/include/Lepton.h ../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarscript_commands.h \
colvarscript_commands_colvar.h colvarscript_commands_bias.h
$(COLVARS_OBJ_DIR)colvarscript_commands_bias.o: \
colvarscript_commands_bias.cpp colvarproxy.h colvarmodule.h \
colvars_version.h colvartypes.h colvarvalue.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvardeps.h colvarparse.h colvarparams.h \
colvarscript.h colvarbias.h colvar.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarscript_commands.h colvarscript_commands_colvar.h \
colvarscript_commands_bias.h
colvarscript.h colvarbias.h colvar.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarscript_commands.h \
colvarscript_commands_colvar.h colvarscript_commands_bias.h
$(COLVARS_OBJ_DIR)colvarscript_commands_colvar.o: \
colvarscript_commands_colvar.cpp colvarproxy.h colvarmodule.h \
colvars_version.h colvartypes.h colvarvalue.h colvarproxy_tcl.h \
colvarproxy_volmaps.h colvardeps.h colvarparse.h colvarparams.h \
colvarscript.h colvarbias.h colvar.h lepton/include/Lepton.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarscript_commands.h colvarscript_commands_colvar.h \
colvarscript_commands_bias.h
colvarscript.h colvarbias.h colvar.h ../lepton/include/Lepton.h \
../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarscript_commands.h \
colvarscript_commands_colvar.h colvarscript_commands_bias.h
$(COLVARS_OBJ_DIR)colvartypes.o: colvartypes.cpp colvarmodule.h \
colvars_version.h colvartypes.h colvarparse.h colvarvalue.h \
colvarparams.h ../../src/math_eigen_impl.h
@ -425,14 +471,15 @@ $(COLVARS_OBJ_DIR)colvarvalue.o: colvarvalue.cpp colvarmodule.h \
colvars_version.h colvarvalue.h colvartypes.h
$(COLVARS_OBJ_DIR)colvar_neuralnetworkcompute.o: \
colvar_neuralnetworkcompute.cpp colvar_neuralnetworkcompute.h \
lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
colvarparse.h colvarmodule.h colvars_version.h colvarvalue.h \
colvartypes.h colvarparams.h
../lepton/include/Lepton.h ../lepton/include/lepton/CompiledExpression.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/windowsIncludes.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/ExpressionProgram.h \
../lepton/include/lepton/ExpressionTreeNode.h \
../lepton/include/lepton/Operation.h \
../lepton/include/lepton/CustomFunction.h \
../lepton/include/lepton/Exception.h \
../lepton/include/lepton/ParsedExpression.h \
../lepton/include/lepton/Parser.h colvarparse.h colvarmodule.h \
colvars_version.h colvarvalue.h colvartypes.h colvarparams.h

50
lib/colvars/Makefile.lepton.deps
View File

@ -1,50 +0,0 @@
$(COLVARS_OBJ_DIR)CompiledExpression.o: lepton/src/CompiledExpression.cpp \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h
$(COLVARS_OBJ_DIR)CompiledVectorExpression.o: \
lepton/src/CompiledVectorExpression.cpp \
lepton/include/lepton/CompiledVectorExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h
$(COLVARS_OBJ_DIR)ExpressionProgram.o: lepton/src/ExpressionProgram.cpp \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h
$(COLVARS_OBJ_DIR)ExpressionTreeNode.o: lepton/src/ExpressionTreeNode.cpp \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/Exception.h lepton/include/lepton/Operation.h \
lepton/include/lepton/CustomFunction.h lepton/include/lepton/Exception.h
$(COLVARS_OBJ_DIR)Operation.o: lepton/src/Operation.cpp \
lepton/include/lepton/Operation.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h lepton/include/lepton/Exception.h \
lepton/include/lepton/ExpressionTreeNode.h lepton/src/MSVC_erfc.h
$(COLVARS_OBJ_DIR)ParsedExpression.o: lepton/src/ParsedExpression.cpp \
lepton/include/lepton/ParsedExpression.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CompiledExpression.h \
lepton/include/lepton/CompiledVectorExpression.h \
lepton/include/lepton/ExpressionProgram.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h
$(COLVARS_OBJ_DIR)Parser.o: lepton/src/Parser.cpp \
lepton/include/lepton/Parser.h lepton/include/lepton/windowsIncludes.h \
lepton/include/lepton/CustomFunction.h lepton/include/lepton/Exception.h \
lepton/include/lepton/ExpressionTreeNode.h \
lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
lepton/include/lepton/Exception.h \
lepton/include/lepton/ParsedExpression.h \
lepton/include/lepton/ExpressionTreeNode.h

33
lib/colvars/README
View File

@ -35,39 +35,32 @@ The reference article is:
The Colvars library can be built for the most part with all major versions of
the C++ language.
A few of the most recent features require C++11 support. In particular, the
library is optionally built together with the
"Lepton"_https://simtk.org/projects/lepton library, a copy of which is also
included in the LAMMPS distribution. Lepton implements the
"customFunction"_http://colvars.github.io/colvars-refman-lammps/colvars-refman-lammps.html#colvar|customFunction
feature, and requires C++11 support.
See "here"_https://colvars.github.io/README-c++11.html for a detailed list of
C++11-only features.
A few of the most recent features require C++11 support, which is also required
by LAMMPS, so no additional notes are needed.
## How to build (CMake)
This is the recommended build recipe: no additional settings are normally
needed besides "-D PKG_COLVARS=yes".
Building and linking of Lepton (or other C++11-only features) is enabled
automatically when compilation is carried out with C++11 support, and disabled
otherwise. Optionally, Lepton build may be manually controlled with the flag
"-D COLVARS_LEPTON=yes|no".
Linking to the Lepton library, which is also used by the LEPTON LAMMPS package,
is enabled automatically. Optionally, support for Lepton within Colvars may
be manually controlled with theCMake setting "-D COLVARS_LEPTON=yes|no".
## How to build (traditional make)
Before building LAMMPS, one must build the Colvars library in lib/colvars.
Before building LAMMPS, one must build the Colvars library in lib/colvars
and the Lepton library in lib/lepton. For building Lepton please see the
README.md file in the lib/lepton folder.
This can be done manually in the same folder by using or adapting one of the
provided Makefiles: for example, Makefile.g++ for the GNU compiler.
Building the Colvars library can be done manually in the respective
folders by using or adapting one of the provided Makefiles: for example,
Makefile.g++ for the GNU compiler.
In general, it is safer to use build setting consistent with the rest of
LAMMPS. This is best carried out from the LAMMPS src directory using a
command like these, which simply invoke the lib/colvars/Install.py script with
the specified args:
command like these, which simply invoke the lib/colvars/Install.py script
with the specified args:
make lib-colvars # print help message
make lib-colvars args="-m serial" # build with GNU g++ compiler (settings as with "make serial")

18
src/COLVARS/Install.sh
View File

@ -38,12 +38,12 @@ if (test $1 = 1) then
if (test -e ../Makefile.package) then
sed -i -e 's/[^ \t]*colvars[^ \t]* //g' ../Makefile.package
sed -i -e 's|^PKG_INC =[ \t]*|&-I..\/..\/lib\/colvars |' ../Makefile.package
sed -i -e 's|^PKG_PATH =[ \t]*|&-L..\/..\/lib\/colvars$(LIBOBJDIR) |' ../Makefile.package
sed -i -e 's|^PKG_LIB =[ \t]*|&-lcolvars |' ../Makefile.package
sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(colvars_SYSINC) |' ../Makefile.package
sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(colvars_SYSLIB) |' ../Makefile.package
sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(colvars_SYSPATH) |' ../Makefile.package
sed -i -e 's|^PKG_INC =[ \t]*|&-I..\/..\/lib\/colvars -I..\/..\/lib\/lepton\/include |' ../Makefile.package
sed -i -e 's|^PKG_PATH =[ \t]*|&-L..\/..\/lib\/colvars$(LIBOBJDIR) -L..\/..\/lib\/lepton$(LIBOBJDIR) |' ../Makefile.package
sed -i -e 's|^PKG_LIB =[ \t]*|&-lcolvars -llepton|' ../Makefile.package
sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(colvars_SYSINC) $(lepton_SYSINC) |' ../Makefile.package
sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(colvars_SYSLIB) $(lepton_SYSLIB) |' ../Makefile.package
sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(colvars_SYSPATH) $(lepton_SYSPATH) |' ../Makefile.package
fi
if (test -e ../Makefile.package.settings) then
@ -51,6 +51,12 @@ if (test $1 = 1) then
# multiline form needed for BSD sed on Macs
sed -i -e '4 i \
include ..\/..\/lib\/colvars\/Makefile.lammps
' ../Makefile.package.settings
sed -i -e '/^[ \t]*include.*lepton.*$/d' ../Makefile.package.settings
# multiline form needed for BSD sed on Macs
sed -i -e '4 i \
include ..\/..\/lib\/lepton\/Makefile.lammps
' ../Makefile.package.settings
fi