[efc3cb] | 1 | # PLEASE adhere to the alphabetical ordering in this Makefile!
|
---|
| 2 | # Also indentation by a single tab
|
---|
| 3 |
|
---|
[5079a0] | 4 | SUBDIRS = Actions UIElements
|
---|
| 5 |
|
---|
[0a4f7f] | 6 | # this includes source files that need to be present at multiple points
|
---|
[efc3cb] | 7 | HELPERSOURCE = \
|
---|
| 8 | Helpers/Assert.cpp \
|
---|
| 9 | Helpers/MemDebug.cpp
|
---|
[0a4f7f] | 10 |
|
---|
[efc3cb] | 11 | ATOMSOURCE = \
|
---|
| 12 | atom.cpp \
|
---|
| 13 | atom_atominfo.cpp \
|
---|
| 14 | atom_bondedparticle.cpp \
|
---|
| 15 | atom_bondedparticleinfo.cpp \
|
---|
| 16 | atom_graphnode.cpp \
|
---|
| 17 | atom_graphnodeinfo.cpp \
|
---|
| 18 | atom_particleinfo.cpp \
|
---|
| 19 | atom_trajectoryparticle.cpp \
|
---|
| 20 | atom_trajectoryparticleinfo.cpp
|
---|
| 21 | ATOMHEADER = \
|
---|
| 22 | atom.hpp \
|
---|
| 23 | atom_atominfo.hpp \
|
---|
| 24 | atom_bondedparticle.hpp \
|
---|
| 25 | atom_bondedparticleinfo.hpp \
|
---|
| 26 | atom_graphnode.hpp \
|
---|
| 27 | atom_graphnodeinfo.hpp \
|
---|
| 28 | atom_particleinfo.hpp \
|
---|
| 29 | atom_trajectoryparticle.hpp \
|
---|
| 30 | atom_trajectoryparticleinfo.hpp
|
---|
| 31 |
|
---|
| 32 | LINALGSOURCE = \
|
---|
| 33 | ${HELPERSOURCE} \
|
---|
| 34 | gslmatrix.cpp \
|
---|
| 35 | gslvector.cpp \
|
---|
| 36 | linearsystemofequations.cpp \
|
---|
| 37 | Space.cpp \
|
---|
| 38 | vector.cpp
|
---|
[0a4f7f] | 39 |
|
---|
| 40 | LINALGHEADER = gslmatrix.hpp \
|
---|
[efc3cb] | 41 | gslvector.hpp \
|
---|
| 42 | linearsystemofequations.hpp \
|
---|
| 43 | Space.hpp \
|
---|
| 44 | vector.hpp
|
---|
[0a4f7f] | 45 |
|
---|
[efc3cb] | 46 | ANALYSISSOURCE = \
|
---|
| 47 | analysis_bonds.cpp \
|
---|
| 48 | analysis_correlation.cpp
|
---|
| 49 | ANALYSISHEADER = \
|
---|
| 50 | analysis_bonds.hpp \
|
---|
| 51 | analysis_correlation.hpp
|
---|
[96c961] | 52 |
|
---|
[5079a0] | 53 | ACTIONSSOURCE = \
|
---|
| 54 | Actions/Action.cpp \
|
---|
[efc3cb] | 55 | Actions/ActionHistory.cpp \
|
---|
| 56 | Actions/ActionRegistry.cpp \
|
---|
| 57 | Actions/ActionSequence.cpp \
|
---|
| 58 | Actions/ErrorAction.cpp \
|
---|
| 59 | Actions/MakroAction.cpp \
|
---|
| 60 | Actions/ManipulateAtomsProcess.cpp \
|
---|
| 61 | Actions/MethodAction.cpp \
|
---|
| 62 | Actions/Process.cpp
|
---|
| 63 |
|
---|
[5079a0] | 64 | ACTIONSHEADER = \
|
---|
| 65 | Actions/Action.hpp \
|
---|
[efc3cb] | 66 | Actions/ActionHistory.hpp \
|
---|
| 67 | Actions/ActionRegistry.hpp \
|
---|
| 68 | Actions/ActionSequence.hpp \
|
---|
| 69 | Actions/Calculation.hpp \
|
---|
| 70 | Actions/Calculation_impl.hpp \
|
---|
| 71 | Actions/ErrorAction.hpp \
|
---|
| 72 | Actions/MakroAction.hpp \
|
---|
| 73 | Actions/ManipulateAtomsProcess.hpp \
|
---|
[97ebf8] | 74 | Actions/MapOfActions.hpp \
|
---|
[efc3cb] | 75 | Actions/MethodAction.hpp \
|
---|
| 76 | Actions/Process.hpp
|
---|
| 77 |
|
---|
[9fb860] | 78 |
|
---|
[efc3cb] | 79 | PARSERSOURCE = \
|
---|
| 80 | Parser/ChangeTracker.cpp \
|
---|
| 81 | Parser/FormatParser.cpp \
|
---|
[52baf9] | 82 | Parser/FormatParserStorage.cpp \
|
---|
[43dad6] | 83 | Parser/MpqcParser.cpp \
|
---|
| 84 | Parser/PcpParser.cpp \
|
---|
[efc3cb] | 85 | Parser/TremoloParser.cpp \
|
---|
| 86 | Parser/XyzParser.cpp
|
---|
[88104f] | 87 |
|
---|
[efc3cb] | 88 | PARSERHEADER = \
|
---|
| 89 | Parser/ChangeTracker.hpp \
|
---|
| 90 | Parser/FormatParser.hpp \
|
---|
[52baf9] | 91 | Parser/FormatParserStorage.hpp \
|
---|
[43dad6] | 92 | Parser/MpqcParser.hpp \
|
---|
| 93 | Parser/PcpParser.hpp \
|
---|
[efc3cb] | 94 | Parser/TremoloParser.hpp \
|
---|
| 95 | Parser/XyzParser.hpp
|
---|
| 96 |
|
---|
| 97 | PATTERNSOURCE = \
|
---|
| 98 | Patterns/Observer.cpp
|
---|
| 99 | PATTERNHEADER = \
|
---|
| 100 | Patterns/Cacheable.hpp \
|
---|
| 101 | Patterns/Observer.hpp \
|
---|
| 102 | Patterns/Singleton.hpp
|
---|
[f5a86a] | 103 |
|
---|
[442218] | 104 | # all these files are only used for legacy reasons while the transition is in progress
|
---|
| 105 | # they are only needed to keep the program usable at any point of the transition and will be
|
---|
| 106 | # deleted once everything is fully refactored
|
---|
| 107 | LEGACYSOURCE = Legacy/oldmenu.cpp
|
---|
[d346b6] | 108 | LEGACYHEADER = Legacy/oldmenu.hpp
|
---|
[442218] | 109 |
|
---|
[63b56a7] | 110 | QTUIMOC_HEADER = UIElements/QT4/QTDialog.hpp \
|
---|
| 111 | UIElements/QT4/QTMainWindow.hpp \
|
---|
[257c77] | 112 | UIElements/Menu/QT4/QTMenu.hpp \
|
---|
| 113 | UIElements/Views/QT4/QTWorldView.hpp \
|
---|
| 114 | UIElements/Views/QT4/GLMoleculeView.hpp \
|
---|
| 115 | UIElements/Views/QT4/QTMoleculeView.hpp \
|
---|
| 116 | UIElements/Views/QT4/QTStatusBar.hpp
|
---|
[63b56a7] | 117 |
|
---|
| 118 | QTUIMOC_TARGETS = QTMainWindow.moc.cpp \
|
---|
| 119 | QTMenu.moc.cpp\
|
---|
| 120 | QTDialog.moc.cpp \
|
---|
| 121 | QTWorldView.moc.cpp \
|
---|
| 122 | GLMoleculeView.moc.cpp \
|
---|
[a77c96] | 123 | QTMoleculeView.moc.cpp \
|
---|
[63b56a7] | 124 | QTStatusBar.moc.cpp
|
---|
[3027f8] | 125 |
|
---|
[57adc7] | 126 | DESCRIPTORSOURCE = Descriptors/AtomDescriptor.cpp \
|
---|
[efc3cb] | 127 | Descriptors/AtomIdDescriptor.cpp \
|
---|
| 128 | Descriptors/AtomTypeDescriptor.cpp \
|
---|
| 129 | Descriptors/MoleculeDescriptor.cpp \
|
---|
[e05826] | 130 | Descriptors/MoleculeIdDescriptor.cpp \
|
---|
[e6317b] | 131 | Descriptors/MoleculeNameDescriptor.cpp \
|
---|
[e30ce8] | 132 | Descriptors/MoleculePtrDescriptor.cpp
|
---|
[57adc7] | 133 |
|
---|
[75ac0c] | 134 |
|
---|
[57adc7] | 135 | DESCRIPTORHEADER = Descriptors/AtomDescriptor.hpp \
|
---|
[efc3cb] | 136 | Descriptors/AtomIdDescriptor.hpp \
|
---|
| 137 | Descriptors/AtomTypeDescriptor.hpp \
|
---|
| 138 | Descriptors/MoleculeDescriptor.hpp \
|
---|
[e30ce8] | 139 | Descriptors/MoleculeIdDescriptor.hpp \
|
---|
[31b09e] | 140 | Descriptors/MoleculeNameDescriptor.hpp \
|
---|
[e30ce8] | 141 | Descriptors/MoleculePtrDescriptor.hpp
|
---|
[6e97e5] | 142 |
|
---|
[0a4f7f] | 143 | EXCEPTIONSOURCE = Exceptions/CustomException.cpp \
|
---|
[3cdd16] | 144 | Exceptions/LinearDependenceException.cpp \
|
---|
| 145 | Exceptions/MathException.cpp \
|
---|
[215df0] | 146 | Exceptions/SkewException.cpp \
|
---|
[3cdd16] | 147 | Exceptions/ZeroVectorException.cpp
|
---|
[0a4f7f] | 148 |
|
---|
| 149 | EXCEPTIONHEADER = Exceptions/CustomException.hpp \
|
---|
[3cdd16] | 150 | Exceptions/LinearDependenceException.hpp \
|
---|
| 151 | Exceptions/MathException.hpp \
|
---|
[215df0] | 152 | Exceptions/SkewException.hpp \
|
---|
[3cdd16] | 153 | Exceptions/ZeroVectorException.hpp
|
---|
[67c75b] | 154 |
|
---|
[63b56a7] | 155 | QTUISOURCE = ${QTUIMOC_TARGETS} \
|
---|
[67c75b] | 156 | UIElements/QT4/QTMainWindow.cpp \
|
---|
| 157 | UIElements/QT4/QTDialog.cpp \
|
---|
| 158 | UIElements/QT4/QTUIFactory.cpp \
|
---|
[257c77] | 159 | UIElements/Menu/QT4/QTMenu.cpp \
|
---|
| 160 | UIElements/Views/QT4/QTWorldView.cpp \
|
---|
| 161 | UIElements/Views/QT4/GLMoleculeView.cpp \
|
---|
| 162 | UIElements/Views/QT4/QTMoleculeView.cpp \
|
---|
| 163 | UIElements/Views/QT4/QTStatusBar.cpp
|
---|
[a77c96] | 164 |
|
---|
[ea94a8] | 165 | QTUIHEADER = ${QTUIMOC_HEADER} UIElements/QT4/QTUIFactory.hpp
|
---|
[3027f8] | 166 |
|
---|
[67c75b] | 167 | QTUI_DEFS =
|
---|
| 168 |
|
---|
[efc3cb] | 169 | SOURCE = \
|
---|
| 170 | ${ANALYSISSOURCE} \
|
---|
[5079a0] | 171 | ${ACTIONSSOURCE} \
|
---|
[efc3cb] | 172 | ${ATOMSOURCE} \
|
---|
| 173 | ${PATTERNSOURCE} \
|
---|
| 174 | ${PARSERSOURCE} \
|
---|
| 175 | ${DESCRIPTORSOURCE} \
|
---|
| 176 | ${HELPERSOURCE} \
|
---|
| 177 | ${LEGACYSOURCE} \
|
---|
| 178 | ${EXCEPTIONSOURCE} \
|
---|
| 179 | bond.cpp \
|
---|
| 180 | bondgraph.cpp \
|
---|
| 181 | boundary.cpp \
|
---|
[c6efc1] | 182 | CommandLineParser.cpp \
|
---|
[efc3cb] | 183 | config.cpp \
|
---|
[88104f] | 184 | ConfigFileBuffer.cpp \
|
---|
[efc3cb] | 185 | element.cpp \
|
---|
[5079a0] | 186 | elements_db.cpp \
|
---|
[efc3cb] | 187 | ellipsoid.cpp \
|
---|
| 188 | errorlogger.cpp \
|
---|
| 189 | graph.cpp \
|
---|
| 190 | helpers.cpp \
|
---|
| 191 | info.cpp \
|
---|
| 192 | leastsquaremin.cpp \
|
---|
| 193 | Line.cpp \
|
---|
| 194 | linkedcell.cpp \
|
---|
| 195 | log.cpp \
|
---|
| 196 | logger.cpp \
|
---|
| 197 | moleculelist.cpp \
|
---|
| 198 | molecule.cpp \
|
---|
| 199 | molecule_dynamics.cpp \
|
---|
| 200 | molecule_fragmentation.cpp \
|
---|
| 201 | molecule_geometry.cpp \
|
---|
| 202 | molecule_graph.cpp \
|
---|
| 203 | molecule_pointcloud.cpp \
|
---|
| 204 | parser.cpp \
|
---|
| 205 | periodentafel.cpp \
|
---|
| 206 | Plane.cpp \
|
---|
[1024cb] | 207 | Space.cpp \
|
---|
[efc3cb] | 208 | tesselation.cpp \
|
---|
| 209 | tesselationhelpers.cpp \
|
---|
[a3fded] | 210 | ThermoStatContainer.cpp \
|
---|
[efc3cb] | 211 | triangleintersectionlist.cpp \
|
---|
[1024cb] | 212 | vector.cpp \
|
---|
[efc3cb] | 213 | vector_ops.cpp \
|
---|
[1024cb] | 214 | verbose.cpp \
|
---|
[efc3cb] | 215 | World.cpp
|
---|
[5f612ee] | 216 |
|
---|
| 217 | HEADER = \
|
---|
[efc3cb] | 218 | ${ANALYSISHEADER} \
|
---|
[5079a0] | 219 | ${ACTIONSHEADER} \
|
---|
[efc3cb] | 220 | ${ATOMHEADER} \
|
---|
| 221 | ${PARSERHEADER} \
|
---|
| 222 | ${PATTERNHEADER} \
|
---|
| 223 | ${DESCRIPTORHEADER} \
|
---|
| 224 | ${EXCEPTIONHEADER} \
|
---|
| 225 | ${LEGACYHEADER} \
|
---|
| 226 | bond.hpp \
|
---|
| 227 | bondgraph.hpp \
|
---|
| 228 | boundary.hpp \
|
---|
[c6efc1] | 229 | CommandLineParser.hpp \
|
---|
[efc3cb] | 230 | config.hpp \
|
---|
[88104f] | 231 | ConfigFileBuffer.hpp \
|
---|
[efc3cb] | 232 | defs.hpp \
|
---|
| 233 | element.hpp \
|
---|
[5079a0] | 234 | elements_db.hpp \
|
---|
[efc3cb] | 235 | ellipsoid.hpp \
|
---|
| 236 | errorlogger.hpp \
|
---|
| 237 | graph.hpp \
|
---|
| 238 | helpers.hpp \
|
---|
| 239 | info.hpp \
|
---|
| 240 | leastsquaremin.hpp \
|
---|
| 241 | Line.hpp \
|
---|
| 242 | linkedcell.hpp \
|
---|
| 243 | lists.hpp \
|
---|
| 244 | log.hpp \
|
---|
| 245 | logger.hpp \
|
---|
| 246 | molecule.hpp \
|
---|
| 247 | molecule_template.hpp \
|
---|
| 248 | parser.hpp \
|
---|
| 249 | periodentafel.hpp \
|
---|
| 250 | Plane.hpp \
|
---|
| 251 | stackclass.hpp \
|
---|
| 252 | tesselation.hpp \
|
---|
| 253 | tesselationhelpers.hpp \
|
---|
[a3fded] | 254 | ThermoStatContainer.hpp \
|
---|
[efc3cb] | 255 | triangleintersectionlist.hpp \
|
---|
| 256 | verbose.hpp \
|
---|
| 257 | vector_ops.hpp \
|
---|
| 258 | World.hpp
|
---|
[3027f8] | 259 |
|
---|
[920c70] | 260 | # the following files are no longer used:
|
---|
| 261 | # memoryallocator.hpp \
|
---|
[1024cb] | 262 | # memoryallocator.cpp \
|
---|
[920c70] | 263 | # memoryusageobserver.hpp \
|
---|
| 264 | # memoryusageobserver.cpp
|
---|
[ef9df36] | 265 |
|
---|
[fa861b] | 266 | BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB)
|
---|
[b1d8092] | 267 | GUI_LIBS = ${QT_LDADD} ${QT_LIB_GUI} -lQtOpenGL ${GLU_LIBS}
|
---|
[5079a0] | 268 | INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements
|
---|
[ef9df36] | 269 |
|
---|
[04488a] | 270 | noinst_LIBRARIES = libmolecuilder.a libgslwrapper.a libmenu.a libparser.a
|
---|
| 271 | bin_PROGRAMS = molecuilder molecuildergui joiner analyzer
|
---|
| 272 |
|
---|
[14de469] | 273 | molecuilderdir = ${bindir}
|
---|
[b1d8092] | 274 |
|
---|
[b9907c] | 275 | libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER}
|
---|
[b1d8092] | 276 |
|
---|
[9fe36b] | 277 | libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
|
---|
[35b698] | 278 | libparser_a_SOURCES = ${PARSERSOURCE} ${PARSERHEADER}
|
---|
[9fb860] | 279 | libgslwrapper_a_SOURCES = ${LINALGSOURCE} ${LINALGHEADER}
|
---|
[b1d8092] | 280 |
|
---|
[6ac7ee] | 281 | molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
|
---|
[b1d8092] | 282 |
|
---|
[4d9c01] | 283 | molecuilder_CXXFLAGS = $(BOOST_CPPFLAGS)
|
---|
| 284 | #molecuilder_CXXFLAGS += -DNO_CACHING
|
---|
[9fe36b] | 285 | molecuilder_LDFLAGS = $(BOOST_LIB)
|
---|
[82b71a] | 286 | molecuilder_SOURCES = ${LEGACYSOURCE} builder.cpp
|
---|
[b8d1aeb] | 287 | molecuilder_SOURCES += $(srcdir)/version.c
|
---|
[04488a] | 288 | molecuilder_LDADD = UIElements/libMolecuilderUI.a Actions/libMolecuilderActions.a libmolecuilder.a libparser.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB}
|
---|
[b1d8092] | 289 |
|
---|
[3027f8] | 290 | #Stuff for building the GUI using QT
|
---|
[82b71a] | 291 | molecuildergui_SOURCES = ${QTUISOURCE} ${LEGACYSOURCE} builder.cpp
|
---|
[b8d1aeb] | 292 | molecuildergui_SOURCES += $(srcdir)/version.c
|
---|
[cef1d7] | 293 | molecuildergui_CXXFLAGS = ${QT_CXXFLAGS} ${GLU_CXXFLAGS} -DUSE_GUI_QT
|
---|
| 294 | molecuildergui_LDFLAGS = $(BOOST_LIB) ${QT_LDFLAGS} ${GLU_LDFLAGS}
|
---|
[04488a] | 295 | molecuildergui_LDADD = UIElements/libMolecuilderUI.a Actions/libMolecuilderActions.a libmolecuilder.a libparser.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB} ${GUI_LIBS}
|
---|
[b1d8092] | 296 |
|
---|
[b9907c] | 297 | joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
|
---|
[4d9c01] | 298 | joiner_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
|
---|
[b1d8092] | 299 |
|
---|
[b9907c] | 300 | analyzer_SOURCES = analyzer.cpp datacreator.cpp parser.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
|
---|
[4d9c01] | 301 | analyzer_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
|
---|
[14de469] | 302 |
|
---|
[3027f8] | 303 | #Rules needed for QT4
|
---|
| 304 | # UI-Files are scattered throughout several subdirectories
|
---|
| 305 | # Therfore `%'-rules do not seem to work
|
---|
| 306 | #Quick fix to get it done otherwise
|
---|
[d3a5ea] | 307 | ${QTUIMOC_TARGETS}: ${QTUIMOC_HEADER}
|
---|
[fa27ed] | 308 | list='$(QTUIMOC_HEADER)'; for header in $$list; do \
|
---|
[3027f8] | 309 | echo "Making mocfile for $$header"; \
|
---|
| 310 | target=`basename $$header | sed "s/\(.*\)\..*/\1.moc.cpp/"`;\
|
---|
| 311 | $(MOC) $(srcdir)/$$header -o $$target \
|
---|
| 312 | || eval $$failcom; \
|
---|
| 313 | done;
|
---|
[9fe36b] | 314 |
|
---|
| 315 | MOSTLYCLEANFILES = ${QTUIMOC_TARGETS}
|
---|
[3027f8] | 316 |
|
---|
[c111db] | 317 | #EXTRA_DIST = ${molecuilder_DATA}
|
---|
[65b6e0] | 318 |
|
---|
[a8eb4a] | 319 | FORCE:
|
---|
| 320 | $(srcdir)/.git-version: FORCE
|
---|
[c135eb7] | 321 | @if (test -d $(top_srcdir)/../.git && cd $(srcdir) && git describe HEAD) > .git-version-t 2>/dev/null \
|
---|
[a8eb4a] | 322 | && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
|
---|
| 323 | mv -f .git-version-t $(srcdir)/.git-version; \
|
---|
| 324 | else \
|
---|
| 325 | rm -f .git-version-t; \
|
---|
| 326 | fi
|
---|
| 327 |
|
---|
| 328 | EXTRA_DIST = $(srcdir)/.git-version
|
---|
| 329 |
|
---|
| 330 | $(srcdir)/version.c: $(srcdir)/.git-version
|
---|
| 331 | echo "const char *ESPACKVersion = \"$(PACKAGE_NAME) -- git version: "`cat $(srcdir)/.git-version`"\";" > $@
|
---|
| 332 |
|
---|
[b8d1aeb] | 333 |
|
---|