# PLEASE adhere to the alphabetical ordering in this Makefile! # Also indentation by a single tab # this includes source files that need to be present at multiple points HELPERSOURCE = \ Helpers/Assert.cpp \ Helpers/MemDebug.cpp ATOMSOURCE = \ atom.cpp \ atom_atominfo.cpp \ atom_bondedparticle.cpp \ atom_bondedparticleinfo.cpp \ atom_graphnode.cpp \ atom_graphnodeinfo.cpp \ atom_particleinfo.cpp \ atom_trajectoryparticle.cpp \ atom_trajectoryparticleinfo.cpp ATOMHEADER = \ atom.hpp \ atom_atominfo.hpp \ atom_bondedparticle.hpp \ atom_bondedparticleinfo.hpp \ atom_graphnode.hpp \ atom_graphnodeinfo.hpp \ atom_particleinfo.hpp \ atom_trajectoryparticle.hpp \ atom_trajectoryparticleinfo.hpp LINALGSOURCE = \ ${HELPERSOURCE} \ gslmatrix.cpp \ gslvector.cpp \ linearsystemofequations.cpp \ Space.cpp \ vector.cpp LINALGHEADER = gslmatrix.hpp \ gslvector.hpp \ linearsystemofequations.hpp \ Space.hpp \ vector.hpp ANALYSISSOURCE = \ analysis_bonds.cpp \ analysis_correlation.cpp ANALYSISHEADER = \ analysis_bonds.hpp \ analysis_correlation.hpp ACTIONSSOURCE = Actions/Action.cpp \ ${ANALYSISACTIONSOURCE} \ ${ATOMACTIONSOURCE} \ ${CMDACTIONSOURCE} \ ${FRAGMENTATIONACTIONSOURCE} \ ${MOLECULEACTIONSOURCE} \ ${PARSERACTIONSOURCE} \ ${TESSELATIONACTIONSOURCE} \ ${WORLDACTIONSOURCE} \ Actions/ActionHistory.cpp \ Actions/ActionRegistry.cpp \ Actions/ActionSequence.cpp \ Actions/ErrorAction.cpp \ Actions/MakroAction.cpp \ Actions/ManipulateAtomsProcess.cpp \ Actions/MapOfActions.cpp \ Actions/MethodAction.cpp \ Actions/Process.cpp ACTIONSHEADER = Actions/Action.hpp \ ${ANALYSISACTIONHEADER} \ ${ATOMACTIONHEADER} \ ${CMDACTIONHEADER} \ ${FRAGMENTATIONACTIONHEADER} \ ${MOLECULEACTIONHEADER} \ ${PARSERACTIONHEADER} \ ${TESSELATIONACTIONHEADER} \ ${WORLDACTIONHEADER} \ Actions/ActionHistory.hpp \ Actions/ActionRegistry.hpp \ Actions/ActionSequence.hpp \ Actions/Calculation.hpp \ Actions/Calculation_impl.hpp \ Actions/ErrorAction.hpp \ Actions/MakroAction.hpp \ Actions/ManipulateAtomsProcess.hpp \ Actions/MapOfActions.hpp \ Actions/MethodAction.hpp \ Actions/Process.hpp ANALYSISACTIONSOURCE = \ Actions/AnalysisAction/MolecularVolumeAction.cpp \ Actions/AnalysisAction/PairCorrelationAction.cpp \ Actions/AnalysisAction/PairCorrelationToPointAction.cpp \ Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp \ Actions/AnalysisAction/PrincipalAxisSystemAction.cpp ANALYSISACTIONHEADER = \ Actions/AnalysisAction/MolecularVolumeAction.hpp \ Actions/AnalysisAction/PairCorrelationAction.hpp \ Actions/AnalysisAction/PairCorrelationToPointAction.hpp \ Actions/AnalysisAction/PairCorrelationToSurfaceAction.hpp \ Actions/AnalysisAction/PrincipalAxisSystemAction.hpp ATOMACTIONSOURCE = \ Actions/AtomAction/AddAction.cpp \ Actions/AtomAction/ChangeElementAction.cpp \ Actions/AtomAction/RemoveAction.cpp ATOMACTIONHEADER = \ Actions/AtomAction/AddAction.hpp \ Actions/AtomAction/ChangeElementAction.hpp \ Actions/AtomAction/RemoveAction.cpp CMDACTIONSOURCE = \ Actions/CmdAction/BondLengthTableAction.cpp \ Actions/CmdAction/ElementDbAction.cpp \ Actions/CmdAction/FastParsingAction.cpp \ Actions/CmdAction/HelpAction.cpp \ Actions/CmdAction/VerboseAction.cpp \ Actions/CmdAction/VersionAction.cpp CMDACTIONHEADER = \ Actions/CmdAction/BondLengthTableAction.hpp \ Actions/CmdAction/ElementDbAction.hpp \ Actions/CmdAction/FastParsingAction.hpp \ Actions/CmdAction/HelpAction.hpp \ Actions/CmdAction/VerboseAction.hpp \ Actions/CmdAction/VersionAction.hpp FRAGMENTATIONACTIONSOURCE = \ Actions/FragmentationAction/DepthFirstSearchAction.cpp \ Actions/FragmentationAction/FragmentationAction.cpp \ Actions/FragmentationAction/SubgraphDissectionAction.cpp FRAGMENTATIONACTIONHEADER = \ Actions/FragmentationAction/DepthFirstSearchAction.hpp \ Actions/FragmentationAction/FragmentationAction.hpp \ Actions/FragmentationAction/SubgraphDissectionAction.hpp MOLECULEACTIONSOURCE = \ Actions/MoleculeAction/BondFileAction.cpp \ Actions/MoleculeAction/ChangeNameAction.cpp \ Actions/MoleculeAction/FillWithMoleculeAction.cpp \ Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp \ Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp \ Actions/MoleculeAction/SaveAdjacencyAction.cpp \ Actions/MoleculeAction/SaveBondsAction.cpp \ Actions/MoleculeAction/SaveTemperatureAction.cpp \ Actions/MoleculeAction/SuspendInWaterAction.cpp \ Actions/MoleculeAction/TranslateAction.cpp \ Actions/MoleculeAction/VerletIntegrationAction.cpp MOLECULEACTIONHEADER = \ Actions/MoleculeAction/BondFileAction.hpp \ Actions/MoleculeAction/ChangeNameAction.hpp \ Actions/MoleculeAction/FillWithMoleculeAction.hpp \ Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp \ Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp \ Actions/MoleculeAction/SaveAdjacencyAction.hpp \ Actions/MoleculeAction/SaveBondsAction.hpp \ Actions/MoleculeAction/SaveTemperatureAction.hpp \ Actions/MoleculeAction/SuspendInWaterAction.hpp \ Actions/MoleculeAction/TranslateAction.hpp \ Actions/MoleculeAction/VerletIntegrationAction.hpp PARSERACTIONSOURCE = \ Actions/ParserAction/LoadXyzAction.cpp \ Actions/ParserAction/SaveXyzAction.cpp PARSERACTIONHEADER = \ Actions/ParserAction/LoadXyzAction.hpp \ Actions/ParserAction/SaveXyzAction.hpp TESSELATIONACTIONSOURCE = \ Actions/TesselationAction/ConvexEnvelopeAction.cpp \ Actions/TesselationAction/NonConvexEnvelopeAction.cpp TESSELATIONACTIONHEADER = \ Actions/TesselationAction/ConvexEnvelopeAction.hpp \ Actions/TesselationAction/NonConvexEnvelopeAction.hpp WORLDACTIONSOURCE = \ Actions/WorldAction/AddEmptyBoundaryAction.cpp \ Actions/WorldAction/BoundInBoxAction.cpp \ Actions/WorldAction/CenterInBoxAction.cpp \ Actions/WorldAction/CenterOnEdgeAction.cpp \ Actions/WorldAction/ChangeBoxAction.cpp \ Actions/WorldAction/RemoveSphereOfAtomsAction.cpp \ Actions/WorldAction/RepeatBoxAction.cpp \ Actions/WorldAction/ScaleBoxAction.cpp \ Actions/WorldAction/SetDefaultNameAction.cpp \ Actions/WorldAction/SetGaussianBasisAction.cpp WORLDACTIONHEADER = \ Actions/WorldAction/AddEmptyBoundaryAction.hpp \ Actions/WorldAction/BoundInBoxAction.hpp \ Actions/WorldAction/CenterInBoxAction.hpp \ Actions/WorldAction/CenterOnEdgeAction.hpp \ Actions/WorldAction/ChangeBoxAction.hpp \ Actions/WorldAction/RemoveSphereOfAtomsAction.hpp \ Actions/WorldAction/RepeatBoxAction.hpp \ Actions/WorldAction/ScaleBoxAction.hpp \ Actions/WorldAction/SetDefaultNameAction.hpp \ Actions/WorldAction/SetGaussianBasisAction.hpp PARSERSOURCE = \ Parser/ChangeTracker.cpp \ Parser/FormatParser.cpp \ Parser/TremoloParser.cpp \ Parser/XyzParser.cpp PARSERHEADER = \ Parser/ChangeTracker.hpp \ Parser/FormatParser.hpp \ Parser/TremoloParser.hpp \ Parser/XyzParser.hpp PATTERNSOURCE = \ Patterns/Observer.cpp PATTERNHEADER = \ Patterns/Cacheable.hpp \ Patterns/Observer.hpp \ Patterns/Singleton.hpp # Below is all for the User Interface VIEWSOURCE = \ Views/View.cpp \ Views/StringView.cpp \ Views/MethodStringView.cpp \ Views/StreamStringView.cpp VIEWHEADER = \ Views/View.hpp \ Views/StringView.hpp \ Views/MethodStringView.hpp \ Views/StreamStringView.hpp MENUSOURCE = \ Menu/Menu.cpp \ Menu/TextMenu.cpp \ Menu/MenuItem.cpp \ Menu/SubMenuItem.cpp \ Menu/ActionMenuItem.cpp \ Menu/SeperatorItem.cpp \ Menu/DisplayMenuItem.cpp MENUHEADER = \ Menu/Menu.hpp \ Menu/TextMenu.hpp \ Menu/MenuItem.hpp \ Menu/SubMenuItem.hpp \ Menu/ActionMenuItem.hpp \ Menu/SeperatorItem.hpp \ Menu/DisplayMenuItem.hpp UISOURCE = \ ${ACTIONSSOURCE} \ ${COMMANDLINEUISOURCE} \ ${MENUSOURCE} \ ${TEXTUISOURCE} \ ${VIEWSOURCE} \ UIElements/Dialog.cpp \ UIElements/MainWindow.cpp \ UIElements/UIFactory.cpp UIHEADER = \ ${ACTIONSHEADER} \ ${COMMANDLINEUIHEADER} \ ${MENUHEADER} \ ${TEXTUIHEADER} \ ${VIEWHEADER} \ UIElements/Dialog.hpp \ UIElements/MainWindow.hpp \ UIElements/UIFactory.hpp TEXTUISOURCE = \ UIElements/TextDialog.cpp \ UIElements/TextStatusIndicator.cpp \ UIElements/TextUIFactory.cpp \ UIElements/TextWindow.cpp TEXTUIHEADER = \ UIElements/TextDialog.hpp \ UIElements/TextStatusIndicator.hpp \ UIElements/TextUIFactory.hpp \ UIElements/TextWindow.hpp COMMANDLINEUISOURCE = \ UIElements/CommandLineDialog.cpp \ UIElements/CommandLineStatusIndicator.cpp \ UIElements/CommandLineUIFactory.cpp \ UIElements/CommandLineWindow.cpp COMMANDLINEUIHEADER = \ UIElements/CommandLineDialog.hpp \ UIElements/CommandLineStatusIndicator.hpp \ UIElements/CommandLineUIFactory.hpp \ UIElements/CommandLineWindow.hpp # all these files are only used for legacy reasons while the transition is in progress # they are only needed to keep the program usable at any point of the transition and will be # deleted once everything is fully refactored LEGACYSOURCE = Legacy/oldmenu.cpp LEGACYHEADER = Legacy/oldmenu.hpp DESCRIPTORSOURCE = Descriptors/AtomDescriptor.cpp \ Descriptors/AtomIdDescriptor.cpp \ Descriptors/AtomTypeDescriptor.cpp \ Descriptors/MoleculeDescriptor.cpp \ Descriptors/MoleculeIdDescriptor.cpp DESCRIPTORHEADER = Descriptors/AtomDescriptor.hpp \ Descriptors/AtomIdDescriptor.hpp \ Descriptors/AtomTypeDescriptor.hpp \ Descriptors/MoleculeDescriptor.hpp \ Descriptors/MoleculeIdDescriptor.hpp EXCEPTIONSOURCE = Exceptions/CustomException.cpp \ Exceptions/LinearDependenceException.cpp \ Exceptions/MathException.cpp \ Exceptions/ZeroVectorException.cpp EXCEPTIONHEADER = Exceptions/CustomException.hpp \ Exceptions/LinearDependenceException.hpp \ Exceptions/MathException.hpp \ Exceptions/ZeroVectorException.hpp SOURCE = \ ${ANALYSISSOURCE} \ ${ATOMSOURCE} \ ${PATTERNSOURCE} \ ${PARSERSOURCE} \ ${UISOURCE} \ ${DESCRIPTORSOURCE} \ ${HELPERSOURCE} \ ${LEGACYSOURCE} \ ${EXCEPTIONSOURCE} \ bond.cpp \ bondgraph.cpp \ boundary.cpp \ CommandLineParser.cpp \ config.cpp \ element.cpp \ ellipsoid.cpp \ errorlogger.cpp \ graph.cpp \ helpers.cpp \ info.cpp \ leastsquaremin.cpp \ Line.cpp \ linkedcell.cpp \ lists.cpp \ log.cpp \ logger.cpp \ memoryusageobserver.cpp \ moleculelist.cpp \ molecule.cpp \ molecule_dynamics.cpp \ molecule_fragmentation.cpp \ molecule_geometry.cpp \ molecule_graph.cpp \ molecule_pointcloud.cpp \ parser.cpp \ periodentafel.cpp \ Plane.cpp \ tesselation.cpp \ tesselationhelpers.cpp \ triangleintersectionlist.cpp \ verbose.cpp \ vector_ops.cpp \ World.cpp HEADER = \ ${ANALYSISHEADER} \ ${ATOMHEADER} \ ${PARSERHEADER} \ ${PATTERNHEADER} \ ${UIHEADER} \ ${DESCRIPTORHEADER} \ ${EXCEPTIONHEADER} \ ${LEGACYHEADER} \ bond.hpp \ bondgraph.hpp \ boundary.hpp \ CommandLineParser.hpp \ config.hpp \ defs.hpp \ element.hpp \ ellipsoid.hpp \ errorlogger.hpp \ graph.hpp \ helpers.hpp \ info.hpp \ leastsquaremin.hpp \ Line.hpp \ linkedcell.hpp \ lists.hpp \ log.hpp \ logger.hpp \ memoryallocator.hpp \ memoryusageobserver.hpp \ molecule.hpp \ molecule_template.hpp \ parser.hpp \ periodentafel.hpp \ Plane.hpp \ stackclass.hpp \ tesselation.hpp \ tesselationhelpers.hpp \ triangleintersectionlist.hpp \ verbose.hpp \ vector_ops.hpp \ World.hpp BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB) INCLUDES = -I$(top_srcdir)/src/unittests noinst_LIBRARIES = libmolecuilder.a libgslwrapper.a bin_PROGRAMS = molecuilder joiner analyzer molecuilderdir = ${bindir} libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER} libgslwrapper_a_SOURCES = ${LINALGSOURCE} ${LINALGHEADER} molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db molecuilder_LDFLAGS = $(BOOST_LDFLAGS) molecuilder_SOURCES = builder.cpp molecuilder_LDADD = libmolecuilder.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB} joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp joiner_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB} analyzer_SOURCES = analyzer.cpp datacreator.cpp parser.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp analyzer_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB} FORCE: $(srcdir)/.git-version: FORCE @if (test -d $(top_srcdir)/../.git && cd $(srcdir) && git describe HEAD) > .git-version-t 2>/dev/null \ && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \ mv -f .git-version-t $(srcdir)/.git-version; \ else \ rm -f .git-version-t; \ fi EXTRA_DIST = $(srcdir)/.git-version $(srcdir)/version.c: $(srcdir)/.git-version echo "const char *ESPACKVersion = \"$(PACKAGE_NAME) -- git version: "`cat $(srcdir)/.git-version`"\";" > $@ molecuilder_SOURCES += $(srcdir)/version.c