[efc3cb] | 1 | # PLEASE adhere to the alphabetical ordering in this Makefile!
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| 2 | # Also indentation by a single tab
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| 3 |
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[5079a0] | 4 | SUBDIRS = Actions UIElements
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| 5 |
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[0a4f7f] | 6 | # this includes source files that need to be present at multiple points
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[efc3cb] | 7 | HELPERSOURCE = \
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| 8 | Helpers/Assert.cpp \
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| 9 | Helpers/MemDebug.cpp
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[0a4f7f] | 10 |
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[efc3cb] | 11 | ATOMSOURCE = \
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| 12 | atom.cpp \
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| 13 | atom_atominfo.cpp \
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| 14 | atom_bondedparticle.cpp \
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| 15 | atom_bondedparticleinfo.cpp \
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| 16 | atom_graphnode.cpp \
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| 17 | atom_graphnodeinfo.cpp \
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| 18 | atom_particleinfo.cpp \
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| 19 | atom_trajectoryparticle.cpp \
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| 20 | atom_trajectoryparticleinfo.cpp
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| 21 | ATOMHEADER = \
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| 22 | atom.hpp \
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| 23 | atom_atominfo.hpp \
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| 24 | atom_bondedparticle.hpp \
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| 25 | atom_bondedparticleinfo.hpp \
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| 26 | atom_graphnode.hpp \
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| 27 | atom_graphnodeinfo.hpp \
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| 28 | atom_particleinfo.hpp \
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| 29 | atom_trajectoryparticle.hpp \
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| 30 | atom_trajectoryparticleinfo.hpp
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| 31 |
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| 32 | LINALGSOURCE = \
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| 33 | ${HELPERSOURCE} \
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| 34 | gslmatrix.cpp \
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| 35 | gslvector.cpp \
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| 36 | linearsystemofequations.cpp \
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| 37 | Space.cpp \
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| 38 | vector.cpp
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[0a4f7f] | 39 |
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[325390] | 40 | LINALGHEADER = \
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| 41 | gslmatrix.hpp \
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[efc3cb] | 42 | gslvector.hpp \
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| 43 | linearsystemofequations.hpp \
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| 44 | Space.hpp \
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| 45 | vector.hpp
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[0a4f7f] | 46 |
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[efc3cb] | 47 | ANALYSISSOURCE = \
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| 48 | analysis_bonds.cpp \
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| 49 | analysis_correlation.cpp
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| 50 | ANALYSISHEADER = \
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| 51 | analysis_bonds.hpp \
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| 52 | analysis_correlation.hpp
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[96c961] | 53 |
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[5079a0] | 54 | ACTIONSSOURCE = \
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| 55 | Actions/Action.cpp \
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[efc3cb] | 56 | Actions/ActionHistory.cpp \
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| 57 | Actions/ActionRegistry.cpp \
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| 58 | Actions/ActionSequence.cpp \
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| 59 | Actions/ErrorAction.cpp \
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| 60 | Actions/MakroAction.cpp \
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| 61 | Actions/ManipulateAtomsProcess.cpp \
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| 62 | Actions/MethodAction.cpp \
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| 63 | Actions/Process.cpp
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| 64 |
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[5079a0] | 65 | ACTIONSHEADER = \
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| 66 | Actions/Action.hpp \
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[efc3cb] | 67 | Actions/ActionHistory.hpp \
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| 68 | Actions/ActionRegistry.hpp \
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| 69 | Actions/ActionSequence.hpp \
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| 70 | Actions/Calculation.hpp \
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| 71 | Actions/Calculation_impl.hpp \
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| 72 | Actions/ErrorAction.hpp \
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| 73 | Actions/MakroAction.hpp \
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| 74 | Actions/ManipulateAtomsProcess.hpp \
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[97ebf8] | 75 | Actions/MapOfActions.hpp \
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[efc3cb] | 76 | Actions/MethodAction.hpp \
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| 77 | Actions/Process.hpp
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[456341] | 78 |
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[574ddc1] | 79 | EXCEPTIONSOURCE = \
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| 80 | Exceptions/CustomException.cpp \
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[677e13] | 81 | Exceptions/IllegalTypeException.cpp \
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[574ddc1] | 82 | Exceptions/LinearDependenceException.cpp \
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| 83 | Exceptions/MathException.cpp \
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[677e13] | 84 | Exceptions/MissingValueException.cpp \
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[574ddc1] | 85 | Exceptions/NotInvertibleException.cpp \
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| 86 | Exceptions/ParseError.cpp \
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| 87 | Exceptions/SkewException.cpp \
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| 88 | Exceptions/ZeroVectorException.cpp
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[456341] | 89 |
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[574ddc1] | 90 | EXCEPTIONHEADER = \
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| 91 | Exceptions/CustomException.hpp \
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[677e13] | 92 | Exceptions/IllegalTypeException.hpp \
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[574ddc1] | 93 | Exceptions/LinearDependenceException.hpp \
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| 94 | Exceptions/MathException.hpp \
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[677e13] | 95 | Exceptions/MissingValueException.hpp \
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[574ddc1] | 96 | Exceptions/NotInvertibleException.hpp \
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| 97 | Exceptions/ParseError.hpp \
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| 98 | Exceptions/SkewException.hpp \
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| 99 | Exceptions/ZeroVectorException.hpp
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[9fb860] | 100 |
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[efc3cb] | 101 | PARSERSOURCE = \
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| 102 | Parser/ChangeTracker.cpp \
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| 103 | Parser/FormatParser.cpp \
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[52baf9] | 104 | Parser/FormatParserStorage.cpp \
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[43dad6] | 105 | Parser/MpqcParser.cpp \
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| 106 | Parser/PcpParser.cpp \
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[efc3cb] | 107 | Parser/TremoloParser.cpp \
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| 108 | Parser/XyzParser.cpp
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[88104f] | 109 |
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[efc3cb] | 110 | PARSERHEADER = \
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| 111 | Parser/ChangeTracker.hpp \
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| 112 | Parser/FormatParser.hpp \
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[52baf9] | 113 | Parser/FormatParserStorage.hpp \
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[43dad6] | 114 | Parser/MpqcParser.hpp \
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| 115 | Parser/PcpParser.hpp \
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[efc3cb] | 116 | Parser/TremoloParser.hpp \
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| 117 | Parser/XyzParser.hpp
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| 118 |
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| 119 | PATTERNSOURCE = \
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| 120 | Patterns/Observer.cpp
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| 121 | PATTERNHEADER = \
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| 122 | Patterns/Cacheable.hpp \
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| 123 | Patterns/Observer.hpp \
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| 124 | Patterns/Singleton.hpp
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[997784] | 125 |
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| 126 | SHAPESOURCE = \
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[e38447] | 127 | Shapes/BaseShapes.cpp \
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[e09b70] | 128 | Shapes/Shape.cpp \
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| 129 | Shapes/ShapeOps.cpp
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[997784] | 130 | SHAPEHEADER = \
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[e38447] | 131 | Shapes/BaseShapes.hpp \
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[e09b70] | 132 | Shapes/Shape.hpp \
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| 133 | Shapes/ShapeOps.hpp
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[997784] | 134 |
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[f5a86a] | 135 |
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[63b56a7] | 136 | QTUIMOC_HEADER = UIElements/QT4/QTDialog.hpp \
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[4e145c] | 137 | UIElements/QT4/QTMainWindow.hpp \
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| 138 | UIElements/Menu/QT4/QTMenu.hpp \
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| 139 | UIElements/Views/QT4/QTWorldView.hpp \
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| 140 | UIElements/Views/QT4/GLMoleculeView.hpp \
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| 141 | UIElements/Views/QT4/QTMoleculeView.hpp \
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| 142 | UIElements/Views/QT4/QTStatusBar.hpp
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[63b56a7] | 143 |
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| 144 | QTUIMOC_TARGETS = QTMainWindow.moc.cpp \
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[4e145c] | 145 | QTMenu.moc.cpp\
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| 146 | QTDialog.moc.cpp \
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| 147 | QTWorldView.moc.cpp \
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| 148 | GLMoleculeView.moc.cpp \
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| 149 | QTMoleculeView.moc.cpp \
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| 150 | QTStatusBar.moc.cpp
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[3027f8] | 151 |
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[57adc7] | 152 | DESCRIPTORSOURCE = Descriptors/AtomDescriptor.cpp \
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[efc3cb] | 153 | Descriptors/AtomIdDescriptor.cpp \
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[48dcbd] | 154 | Descriptors/AtomSelectionDescriptor.cpp \
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[efc3cb] | 155 | Descriptors/AtomTypeDescriptor.cpp \
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| 156 | Descriptors/MoleculeDescriptor.cpp \
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[6e7147] | 157 | Descriptors/MoleculeFormulaDescriptor.cpp \
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[e05826] | 158 | Descriptors/MoleculeIdDescriptor.cpp \
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[e6317b] | 159 | Descriptors/MoleculeNameDescriptor.cpp \
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[cf0ca1] | 160 | Descriptors/MoleculePtrDescriptor.cpp \
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| 161 | Descriptors/MoleculeSelectionDescriptor.cpp
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[57adc7] | 162 |
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[75ac0c] | 163 |
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[57adc7] | 164 | DESCRIPTORHEADER = Descriptors/AtomDescriptor.hpp \
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[efc3cb] | 165 | Descriptors/AtomIdDescriptor.hpp \
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[48dcbd] | 166 | Descriptors/AtomSelectionDescriptor.hpp \
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[efc3cb] | 167 | Descriptors/AtomTypeDescriptor.hpp \
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| 168 | Descriptors/MoleculeDescriptor.hpp \
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[6e7147] | 169 | Descriptors/MoleculeFormulaDescriptor.hpp \
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[e30ce8] | 170 | Descriptors/MoleculeIdDescriptor.hpp \
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[31b09e] | 171 | Descriptors/MoleculeNameDescriptor.hpp \
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[cf0ca1] | 172 | Descriptors/MoleculePtrDescriptor.hpp \
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| 173 | Descriptors/MoleculeSelectionDescriptor.cpp
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[67c75b] | 174 |
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[63b56a7] | 175 | QTUISOURCE = ${QTUIMOC_TARGETS} \
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[4e145c] | 176 | UIElements/QT4/QTMainWindow.cpp \
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| 177 | UIElements/QT4/QTDialog.cpp \
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| 178 | UIElements/QT4/QTUIFactory.cpp \
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| 179 | UIElements/Menu/QT4/QTMenu.cpp \
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| 180 | UIElements/Views/QT4/QTWorldView.cpp \
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| 181 | UIElements/Views/QT4/GLMoleculeView.cpp \
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| 182 | UIElements/Views/QT4/QTMoleculeView.cpp \
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| 183 | UIElements/Views/QT4/QTStatusBar.cpp
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[a77c96] | 184 |
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[ea94a8] | 185 | QTUIHEADER = ${QTUIMOC_HEADER} UIElements/QT4/QTUIFactory.hpp
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[3027f8] | 186 |
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[67c75b] | 187 | QTUI_DEFS =
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| 188 |
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[efc3cb] | 189 | SOURCE = \
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| 190 | ${ANALYSISSOURCE} \
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[5079a0] | 191 | ${ACTIONSSOURCE} \
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[efc3cb] | 192 | ${ATOMSOURCE} \
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[456341] | 193 | ${EXCEPTIONSOURCE} \
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[efc3cb] | 194 | ${PATTERNSOURCE} \
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| 195 | ${PARSERSOURCE} \
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[997784] | 196 | ${SHAPESOURCE} \
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[efc3cb] | 197 | ${DESCRIPTORSOURCE} \
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| 198 | ${HELPERSOURCE} \
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| 199 | bond.cpp \
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| 200 | bondgraph.cpp \
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| 201 | boundary.cpp \
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[83c09a] | 202 | Box.cpp \
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[c6efc1] | 203 | CommandLineParser.cpp \
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[efc3cb] | 204 | config.cpp \
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[88104f] | 205 | ConfigFileBuffer.cpp \
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[efc3cb] | 206 | element.cpp \
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[5079a0] | 207 | elements_db.cpp \
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[efc3cb] | 208 | ellipsoid.cpp \
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| 209 | errorlogger.cpp \
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[6f43ab] | 210 | Formula.cpp \
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[efc3cb] | 211 | graph.cpp \
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| 212 | helpers.cpp \
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| 213 | info.cpp \
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| 214 | leastsquaremin.cpp \
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| 215 | Line.cpp \
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| 216 | linkedcell.cpp \
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| 217 | log.cpp \
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| 218 | logger.cpp \
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[456341] | 219 | Matrix.cpp \
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[efc3cb] | 220 | moleculelist.cpp \
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| 221 | molecule.cpp \
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| 222 | molecule_dynamics.cpp \
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| 223 | molecule_fragmentation.cpp \
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| 224 | molecule_geometry.cpp \
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| 225 | molecule_graph.cpp \
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| 226 | molecule_pointcloud.cpp \
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| 227 | parser.cpp \
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| 228 | periodentafel.cpp \
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| 229 | Plane.cpp \
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[1024cb] | 230 | Space.cpp \
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[efc3cb] | 231 | tesselation.cpp \
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| 232 | tesselationhelpers.cpp \
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[a3fded] | 233 | ThermoStatContainer.cpp \
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[efc3cb] | 234 | triangleintersectionlist.cpp \
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[112f90] | 235 | UIElements/UIFactory.cpp \
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[1024cb] | 236 | vector.cpp \
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[efc3cb] | 237 | vector_ops.cpp \
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[1024cb] | 238 | verbose.cpp \
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[efc3cb] | 239 | World.cpp
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[5f612ee] | 240 |
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| 241 | HEADER = \
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[efc3cb] | 242 | ${ANALYSISHEADER} \
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[5079a0] | 243 | ${ACTIONSHEADER} \
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[efc3cb] | 244 | ${ATOMHEADER} \
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[456341] | 245 | ${EXCEPTIONHEADER} \
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[efc3cb] | 246 | ${PARSERHEADER} \
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| 247 | ${PATTERNHEADER} \
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[997784] | 248 | ${SHAPEHEADER} \
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[efc3cb] | 249 | ${DESCRIPTORHEADER} \
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| 250 | bond.hpp \
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| 251 | bondgraph.hpp \
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| 252 | boundary.hpp \
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[83c09a] | 253 | Box.hpp \
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[c6efc1] | 254 | CommandLineParser.hpp \
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[efc3cb] | 255 | config.hpp \
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[88104f] | 256 | ConfigFileBuffer.hpp \
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[efc3cb] | 257 | defs.hpp \
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| 258 | element.hpp \
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[5079a0] | 259 | elements_db.hpp \
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[efc3cb] | 260 | ellipsoid.hpp \
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| 261 | errorlogger.hpp \
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[6f43ab] | 262 | Formula.hpp \
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[efc3cb] | 263 | graph.hpp \
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| 264 | helpers.hpp \
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| 265 | info.hpp \
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| 266 | leastsquaremin.hpp \
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| 267 | Line.hpp \
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| 268 | linkedcell.hpp \
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| 269 | lists.hpp \
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| 270 | log.hpp \
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| 271 | logger.hpp \
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[456341] | 272 | Matrix.hpp \
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[efc3cb] | 273 | molecule.hpp \
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| 274 | molecule_template.hpp \
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| 275 | parser.hpp \
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| 276 | periodentafel.hpp \
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| 277 | Plane.hpp \
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| 278 | stackclass.hpp \
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| 279 | tesselation.hpp \
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| 280 | tesselationhelpers.hpp \
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[a3fded] | 281 | ThermoStatContainer.hpp \
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[efc3cb] | 282 | triangleintersectionlist.hpp \
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[112f90] | 283 | UIElements/UIFactory.hpp \
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[efc3cb] | 284 | verbose.hpp \
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| 285 | vector_ops.hpp \
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| 286 | World.hpp
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[3027f8] | 287 |
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[920c70] | 288 | # the following files are no longer used:
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| 289 | # memoryallocator.hpp \
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[1024cb] | 290 | # memoryallocator.cpp \
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[920c70] | 291 | # memoryusageobserver.hpp \
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| 292 | # memoryusageobserver.cpp
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[ef9df36] | 293 |
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[fa861b] | 294 | BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB)
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[b1d8092] | 295 | GUI_LIBS = ${QT_LDADD} ${QT_LIB_GUI} -lQtOpenGL ${GLU_LIBS}
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[5079a0] | 296 | INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements
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[ef9df36] | 297 |
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[04488a] | 298 | noinst_LIBRARIES = libmolecuilder.a libgslwrapper.a libmenu.a libparser.a
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| 299 | bin_PROGRAMS = molecuilder molecuildergui joiner analyzer
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| 300 |
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[14de469] | 301 | molecuilderdir = ${bindir}
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[b1d8092] | 302 |
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[b9907c] | 303 | libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER}
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[b1d8092] | 304 |
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[9fe36b] | 305 | libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
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[35b698] | 306 | libparser_a_SOURCES = ${PARSERSOURCE} ${PARSERHEADER}
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[9fb860] | 307 | libgslwrapper_a_SOURCES = ${LINALGSOURCE} ${LINALGHEADER}
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[b1d8092] | 308 |
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[6ac7ee] | 309 | molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
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[b1d8092] | 310 |
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[4d9c01] | 311 | molecuilder_CXXFLAGS = $(BOOST_CPPFLAGS)
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| 312 | #molecuilder_CXXFLAGS += -DNO_CACHING
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[9fe36b] | 313 | molecuilder_LDFLAGS = $(BOOST_LIB)
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[82b71a] | 314 | molecuilder_SOURCES = ${LEGACYSOURCE} builder.cpp
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[b8d1aeb] | 315 | molecuilder_SOURCES += $(srcdir)/version.c
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[04488a] | 316 | molecuilder_LDADD = UIElements/libMolecuilderUI.a Actions/libMolecuilderActions.a libmolecuilder.a libparser.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB}
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[b1d8092] | 317 |
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[3027f8] | 318 | #Stuff for building the GUI using QT
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[82b71a] | 319 | molecuildergui_SOURCES = ${QTUISOURCE} ${LEGACYSOURCE} builder.cpp
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[b8d1aeb] | 320 | molecuildergui_SOURCES += $(srcdir)/version.c
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[cef1d7] | 321 | molecuildergui_CXXFLAGS = ${QT_CXXFLAGS} ${GLU_CXXFLAGS} -DUSE_GUI_QT
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| 322 | molecuildergui_LDFLAGS = $(BOOST_LIB) ${QT_LDFLAGS} ${GLU_LDFLAGS}
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[04488a] | 323 | 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}
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[b1d8092] | 324 |
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[b9907c] | 325 | joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
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[4d9c01] | 326 | joiner_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
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[b1d8092] | 327 |
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[b9907c] | 328 | analyzer_SOURCES = analyzer.cpp datacreator.cpp parser.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
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[4d9c01] | 329 | analyzer_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
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[14de469] | 330 |
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[3027f8] | 331 | #Rules needed for QT4
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| 332 | # UI-Files are scattered throughout several subdirectories
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| 333 | # Therfore `%'-rules do not seem to work
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| 334 | #Quick fix to get it done otherwise
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[d3a5ea] | 335 | ${QTUIMOC_TARGETS}: ${QTUIMOC_HEADER}
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[fa27ed] | 336 | list='$(QTUIMOC_HEADER)'; for header in $$list; do \
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[3027f8] | 337 | echo "Making mocfile for $$header"; \
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| 338 | target=`basename $$header | sed "s/\(.*\)\..*/\1.moc.cpp/"`;\
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| 339 | $(MOC) $(srcdir)/$$header -o $$target \
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| 340 | || eval $$failcom; \
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| 341 | done;
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[9fe36b] | 342 |
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| 343 | MOSTLYCLEANFILES = ${QTUIMOC_TARGETS}
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[3027f8] | 344 |
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[c111db] | 345 | #EXTRA_DIST = ${molecuilder_DATA}
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[65b6e0] | 346 |
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[a8eb4a] | 347 | FORCE:
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| 348 | $(srcdir)/.git-version: FORCE
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[f8be39] | 349 | @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
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| 350 | && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
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[a8eb4a] | 351 | && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
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| 352 | mv -f .git-version-t $(srcdir)/.git-version; \
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| 353 | else \
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| 354 | rm -f .git-version-t; \
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| 355 | fi
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| 356 |
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| 357 | EXTRA_DIST = $(srcdir)/.git-version
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| 358 |
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| 359 | $(srcdir)/version.c: $(srcdir)/.git-version
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| 360 | echo "const char *ESPACKVersion = \"$(PACKAGE_NAME) -- git version: "`cat $(srcdir)/.git-version`"\";" > $@
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| 361 |
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[b8d1aeb] | 362 |
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