| 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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| 4 | SUBDIRS = \
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| 5 | Exceptions \
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| 6 | RandomNumbers \
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| 7 | Parser \
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| 8 | LinearAlgebra \
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| 9 | Shapes \
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| 10 | Graph \
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| 11 | Actions \
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| 12 | UIElements
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| 13 |
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| 14 | AM_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS}
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| 15 |
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| 16 | ATOMSOURCE = \
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| 17 | atom.cpp \
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| 18 | AtomicInfo.cpp \
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| 19 | atom_atominfo.cpp \
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| 20 | atom_bondedparticle.cpp \
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| 21 | atom_bondedparticleinfo.cpp \
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| 22 | atom_graphnode.cpp \
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| 23 | atom_graphnodeinfo.cpp \
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| 24 | atom_particleinfo.cpp
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| 25 | ATOMHEADER = \
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| 26 | atom.hpp \
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| 27 | AtomicInfo.hpp \
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| 28 | atom_atominfo.hpp \
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| 29 | atom_bondedparticle.hpp \
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| 30 | atom_bondedparticleinfo.hpp \
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| 31 | atom_graphnode.hpp \
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| 32 | atom_graphnodeinfo.hpp \
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| 33 | atom_particleinfo.hpp
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| 34 |
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| 35 | ANALYSISSOURCE = \
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| 36 | analysis_bonds.cpp \
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| 37 | analysis_correlation.cpp
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| 38 | ANALYSISHEADER = \
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| 39 | analysis_bonds.hpp \
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| 40 | analysis_correlation.hpp
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| 41 |
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| 42 | ACTIONSSOURCE = \
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| 43 | Actions/Action.cpp \
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| 44 | Actions/ActionHistory.cpp \
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| 45 | Actions/ActionRegistry.cpp \
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| 46 | Actions/ActionSequence.cpp \
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| 47 | Actions/ActionTraits.cpp \
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| 48 | Actions/ErrorAction.cpp \
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| 49 | Actions/MakroAction.cpp \
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| 50 | Actions/ManipulateAtomsProcess.cpp \
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| 51 | Actions/MethodAction.cpp \
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| 52 | Actions/OptionRegistry.cpp \
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| 53 | Actions/OptionTrait.cpp \
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| 54 | Actions/Process.cpp
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| 55 |
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| 56 | ACTIONSHEADER = \
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| 57 | Actions/Action.hpp \
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| 58 | Actions/ActionHistory.hpp \
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| 59 | Actions/ActionRegistry.hpp \
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| 60 | Actions/ActionSequence.hpp \
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| 61 | Actions/ActionTraits.hpp \
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| 62 | Actions/Calculation.hpp \
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| 63 | Actions/Calculation_impl.hpp \
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| 64 | Actions/ErrorAction.hpp \
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| 65 | Actions/MakroAction.hpp \
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| 66 | Actions/ManipulateAtomsProcess.hpp \
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| 67 | Actions/MethodAction.hpp \
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| 68 | Actions/OptionRegistry.hpp \
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| 69 | Actions/OptionTrait.hpp \
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| 70 | Actions/Process.hpp
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| 71 |
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| 72 | BONDSOURCE = \
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| 73 | Bond/bond.cpp \
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| 74 | Bond/GraphEdge.cpp
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| 75 |
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| 76 | BONDHEADER = \
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| 77 | Bond/bond.hpp \
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| 78 | Bond/GraphEdge.hpp
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| 79 |
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| 80 | DESCRIPTORSOURCE = \
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| 81 | Descriptors/AtomDescriptor.cpp \
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| 82 | Descriptors/AtomIdDescriptor.cpp \
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| 83 | Descriptors/AtomOfMoleculeSelectionDescriptor.cpp \
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| 84 | Descriptors/AtomSelectionDescriptor.cpp \
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| 85 | Descriptors/AtomShapeDescriptor.cpp \
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| 86 | Descriptors/AtomTypeDescriptor.cpp \
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| 87 | Descriptors/MoleculeDescriptor.cpp \
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| 88 | Descriptors/MoleculeFormulaDescriptor.cpp \
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| 89 | Descriptors/MoleculeIdDescriptor.cpp \
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| 90 | Descriptors/MoleculeNameDescriptor.cpp \
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| 91 | Descriptors/MoleculeOfAtomSelectionDescriptor.cpp \
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| 92 | Descriptors/MoleculeOrderDescriptor.cpp \
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| 93 | Descriptors/MoleculePtrDescriptor.cpp \
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| 94 | Descriptors/MoleculeSelectionDescriptor.cpp
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| 95 |
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| 96 |
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| 97 | DESCRIPTORHEADER = \
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| 98 | Descriptors/AtomDescriptor.hpp \
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| 99 | Descriptors/AtomIdDescriptor.hpp \
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| 100 | Descriptors/AtomOfMoleculeSelectionDescriptor.hpp \
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| 101 | Descriptors/AtomSelectionDescriptor.hpp \
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| 102 | Descriptors/AtomShapeDescriptor.hpp \
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| 103 | Descriptors/AtomTypeDescriptor.hpp \
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| 104 | Descriptors/MoleculeDescriptor.hpp \
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| 105 | Descriptors/MoleculeFormulaDescriptor.hpp \
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| 106 | Descriptors/MoleculeIdDescriptor.hpp \
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| 107 | Descriptors/MoleculeNameDescriptor.hpp \
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| 108 | Descriptors/MoleculeOfAtomSelectionDescriptor.hpp \
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| 109 | Descriptors/MoleculeOrderDescriptor.hpp \
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| 110 | Descriptors/MoleculePtrDescriptor.hpp \
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| 111 | Descriptors/MoleculeSelectionDescriptor.hpp
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| 112 |
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| 113 | DESCRIPTORIMPLHEADER = \
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| 114 | Descriptors/AtomDescriptor_impl.hpp \
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| 115 | Descriptors/AtomIdDescriptor_impl.hpp \
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| 116 | Descriptors/AtomOfMoleculeSelectionDescriptor_impl.hpp \
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| 117 | Descriptors/AtomSelectionDescriptor_impl.hpp \
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| 118 | Descriptors/AtomShapeDescriptor_impl.hpp \
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| 119 | Descriptors/AtomTypeDescriptor_impl.hpp \
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| 120 | Descriptors/MoleculeDescriptor_impl.hpp \
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| 121 | Descriptors/MoleculeFormulaDescriptor_impl.hpp \
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| 122 | Descriptors/MoleculeIdDescriptor_impl.hpp \
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| 123 | Descriptors/MoleculeNameDescriptor_impl.hpp \
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| 124 | Descriptors/MoleculeOfAtomSelectionDescriptor_impl.hpp \
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| 125 | Descriptors/MoleculeOrderDescriptor_impl.hpp \
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| 126 | Descriptors/MoleculePtrDescriptor_impl.hpp \
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| 127 | Descriptors/MoleculeSelectionDescriptor_impl.hpp
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| 128 |
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| 129 | DYNAMICSSOURCE = \
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| 130 | Dynamics/MinimiseConstrainedPotential.cpp
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| 131 |
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| 132 | DYNAMICSHEADER = \
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| 133 | Dynamics/LinearInterpolationBetweenSteps.hpp \
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| 134 | Dynamics/MinimiseConstrainedPotential.hpp \
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| 135 | Dynamics/OutputTemperature.hpp \
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| 136 | Dynamics/VerletForceIntegration.hpp
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| 137 |
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| 138 | GRAPHSOURCE = \
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| 139 | Graph/BondGraph.cpp
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| 140 |
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| 141 | GRAPHHEADER = \
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| 142 | Graph/BondGraph.hpp
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| 143 |
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| 144 | THERMOSTATSOURCE = \
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| 145 | Thermostats/Berendsen.cpp \
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| 146 | Thermostats/GaussianThermostat.cpp \
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| 147 | Thermostats/Langevin.cpp \
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| 148 | Thermostats/NoseHoover.cpp \
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| 149 | Thermostats/NoThermostat.cpp \
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| 150 | Thermostats/Thermostat.cpp \
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| 151 | Thermostats/Woodcock.cpp
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| 152 |
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| 153 | THERMOSTATHEADER = \
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| 154 | Thermostats/Berendsen.hpp \
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| 155 | Thermostats/GaussianThermostat.hpp \
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| 156 | Thermostats/Langevin.hpp \
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| 157 | Thermostats/NoseHoover.hpp \
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| 158 | Thermostats/NoThermostat.hpp \
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| 159 | Thermostats/Thermostat.hpp \
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| 160 | Thermostats/Woodcock.hpp
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| 161 |
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| 162 | TESSELATIONSOURCE = \
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| 163 | BoundaryLineSet.cpp \
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| 164 | BoundaryPointSet.cpp \
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| 165 | BoundaryPolygonSet.cpp \
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| 166 | BoundaryTriangleSet.cpp \
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| 167 | CandidateForTesselation.cpp \
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| 168 | tesselation.cpp \
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| 169 | tesselationhelpers.cpp \
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| 170 | TesselPoint.cpp
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| 171 |
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| 172 | TESSELATIONHEADER = \
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| 173 | BoundaryLineSet.hpp \
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| 174 | BoundaryPointSet.hpp \
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| 175 | BoundaryPolygonSet.hpp \
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| 176 | BoundaryTriangleSet.hpp \
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| 177 | CandidateForTesselation.hpp \
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| 178 | IPointCloud.hpp \
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| 179 | PointCloudAdaptor.hpp \
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| 180 | tesselation.hpp \
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| 181 | tesselationhelpers.hpp \
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| 182 | TesselPoint.hpp
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| 183 |
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| 184 | MOLECUILDERSOURCE = \
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| 185 | ${ANALYSISSOURCE} \
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| 186 | ${ACTIONSSOURCE} \
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| 187 | ${ATOMSOURCE} \
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| 188 | ${BONDSOURCE} \
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| 189 | ${DESCRIPTORSOURCE} \
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| 190 | ${DYNAMICSSOURCE} \
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| 191 | ${GRAPHSOURCE} \
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| 192 | ${RANDOMSOURCE} \
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| 193 | ${THERMOSTATSOURCE} \
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| 194 | ${TESSELATIONSOURCE} \
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| 195 | Helpers/defs.cpp \
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| 196 | Helpers/helpers.cpp \
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| 197 | boundary.cpp \
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| 198 | Box.cpp \
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| 199 | config.cpp \
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| 200 | ConfigFileBuffer.cpp \
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| 201 | element.cpp \
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| 202 | elements_db.cpp \
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| 203 | ellipsoid.cpp \
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| 204 | Formula.cpp \
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| 205 | graph.cpp \
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| 206 | linkedcell.cpp \
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| 207 | moleculelist.cpp \
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| 208 | molecule.cpp \
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| 209 | molecule_fragmentation.cpp \
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| 210 | molecule_geometry.cpp \
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| 211 | molecule_graph.cpp \
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| 212 | parser.cpp \
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| 213 | periodentafel.cpp \
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| 214 | ThermoStatContainer.cpp \
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| 215 | triangleintersectionlist.cpp \
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| 216 | UIElements/UIFactory.cpp \
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| 217 | World.cpp \
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| 218 | WorldTime.cpp
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| 219 |
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| 220 | MOLECUILDERHEADER = \
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| 221 | ${ANALYSISHEADER} \
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| 222 | ${ACTIONSHEADER} \
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| 223 | ${ATOMHEADER} \
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| 224 | ${BONDHEADER} \
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| 225 | ${DESCRIPTORHEADER} \
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| 226 | ${DESCRIPTORIMPLHEADER} \
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| 227 | ${DYNAMICSHEADER} \
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| 228 | ${GRAPHHEADER} \
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| 229 | ${RANDOMSOURCE} \
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| 230 | ${THERMOSTATHEADER} \
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| 231 | ${TESSELATIONHEADER} \
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| 232 | Helpers/defs.hpp \
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| 233 | Helpers/fast_functions.hpp \
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| 234 | Helpers/helpers.hpp \
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| 235 | boundary.hpp \
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| 236 | Box.hpp \
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| 237 | config.hpp \
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| 238 | ConfigFileBuffer.hpp \
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| 239 | element.hpp \
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| 240 | elements_db.hpp \
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| 241 | ellipsoid.hpp \
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| 242 | Formula.hpp \
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| 243 | graph.hpp \
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| 244 | linkedcell.hpp \
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| 245 | molecule.hpp \
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| 246 | parser.hpp \
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| 247 | periodentafel.hpp \
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| 248 | ThermoStatContainer.hpp \
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| 249 | triangleintersectionlist.hpp \
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| 250 | UIElements/UIFactory.hpp \
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| 251 | World.hpp \
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| 252 | WorldTime.hpp
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| 253 |
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| 254 | lib_LTLIBRARIES = libMolecuilder.la
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| 255 | libMolecuilder_la_includedir = $(includedir)/MoleCuilder/
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| 256 | libMolecuilder_la_LIBADD = \
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| 257 | LinearAlgebra/libMolecuilderLinearAlgebra.la \
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| 258 | Graph/libMolecuilderGraph.la \
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| 259 | ${CodePatterns_LIBS} \
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| 260 | ${BOOST_PROGRAM_OPTIONS_LIB}
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| 261 |
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| 262 | nobase_libMolecuilder_la_include_HEADERS = ${MOLECUILDERHEADER}
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| 263 |
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| 264 | ## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
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| 265 | ## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
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| 266 | ## will therefore be treated as if it were literally part of the target name,
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| 267 | ## and the variable name derived from that.
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| 268 | ## The file extension .cc is recognized by Automake, and makes it produce
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| 269 | ## rules which invoke the C++ compiler to produce a libtool object file (.lo)
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| 270 | ## from each source file. Note that it is not necessary to list header files
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| 271 | ## which are already listed elsewhere in a _HEADERS variable assignment.
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| 272 | libMolecuilder_la_SOURCES = ${MOLECUILDERSOURCE} $(srcdir)/version.c
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| 273 |
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| 274 | ## Instruct libtool to include ABI version information in the generated shared
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| 275 | ## library file (.so). The library ABI version is defined in configure.ac, so
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| 276 | ## that all version information is kept in one place.
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| 277 | libMolecuilder_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
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| 278 |
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| 279 | ## The generated configuration header is installed in its own subdirectory of
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| 280 | ## $(libdir). The reason for this is that the configuration information put
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| 281 | ## into this header file describes the target platform the installed library
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| 282 | ## has been built for. Thus the file must not be installed into a location
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| 283 | ## intended for architecture-independent files, as defined by the Filesystem
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| 284 | ## Hierarchy Standard (FHS).
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| 285 | ## The nodist_ prefix instructs Automake to not generate rules for including
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| 286 | ## the listed files in the distribution on 'make dist'. Files that are listed
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| 287 | ## in _HEADERS variables are normally included in the distribution, but the
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| 288 | ## configuration header file is generated at configure time and should not be
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| 289 | ## shipped with the source tarball.
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| 290 | libMolecuilder_la_libincludedir = $(libdir)/MoleCuilder/include
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| 291 | nodist_libMolecuilder_la_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
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| 292 |
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| 293 | ## Install the generated pkg-config file (.pc) into the expected location for
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| 294 | ## architecture-dependent package configuration information. Occasionally,
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| 295 | ## pkg-config files are also used for architecture-independent data packages,
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| 296 | ## in which case the correct install location would be $(datadir)/pkgconfig.
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| 297 | pkgconfigdir = $(libdir)/pkgconfig
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| 298 | pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
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| 299 |
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| 300 |
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| 301 | BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB) $(BOOST_PROGRAM_OPTIONS_LIB) $(BOOST_FILESYSTEM_LIB) $(BOOST_SYSTEM_LIB) $(BOOST_THREAD_LIB)
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| 302 | INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements
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| 303 |
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| 304 | noinst_LIBRARIES = libmenu.a
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| 305 | bin_PROGRAMS = molecuilder molecuildergui joiner analyzer SubspaceFactorizer
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| 306 | EXTRA_PROGRAMS = unity
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| 307 |
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| 308 | molecuilderdir = ${bindir}
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| 309 |
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| 310 | libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER}
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| 311 |
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| 312 | molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
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| 313 |
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| 314 | SubspaceFactorizer_CXXFLAGS = $(BOOST_CPPFLAGS)
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| 315 | SubspaceFactorizer_SOURCES = SubspaceFactorizer.cpp Helpers/defs.cpp Helpers/defs.hpp Helpers/helpers.cpp Helpers/helpers.hpp
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| 316 | SubspaceFactorizer_LDADD = \
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| 317 | LinearAlgebra/libMolecuilderLinearAlgebra.la \
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| 318 | Exceptions/libMolecuilderExceptions.la \
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| 319 | ${CodePatterns_LIBS} \
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| 320 | $(GSLLIB) \
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| 321 | $(BOOST_LIB)
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| 322 |
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| 323 | molecuilder_CXXFLAGS = $(BOOST_CPPFLAGS)
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| 324 | #molecuilder_CXXFLAGS += -DNO_CACHING
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| 325 | molecuilder_LDFLAGS = $(BOOST_LIB)
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| 326 | molecuilder_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
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| 327 | molecuilder_LDADD = \
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| 328 | UIElements/libMolecuilderUI.la \
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| 329 | Actions/libMolecuilderActions.la \
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| 330 | Graph/libMolecuilderGraph.la \
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| 331 | libMolecuilder.la \
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| 332 | Parser/libMolecuilderParser.la \
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| 333 | Shapes/libMolecuilderShapes.la \
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| 334 | LinearAlgebra/libMolecuilderLinearAlgebra.la \
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| 335 | Exceptions/libMolecuilderExceptions.la \
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| 336 | RandomNumbers/libMolecuilderRandomNumbers.la \
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| 337 | ${CodePatterns_LIBS} \
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| 338 | $(BOOST_LIB)
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| 339 |
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| 340 | #Stuff for building the GUI using Qt
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| 341 | molecuildergui_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
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| 342 | molecuildergui_CXXFLAGS = $(BOOST_CPPFLAGS) -DUSE_GUI_QT
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| 343 | molecuildergui_LDFLAGS = $(BOOST_LIB)
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| 344 |
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| 345 | unity_SOURCES = unity.cpp
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| 346 | unity_LDADD = $(BOOST_LIB)
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| 347 |
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| 348 | molecuildergui_LDADD = \
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| 349 | UIElements/libMolecuilderUI.la \
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| 350 | UIElements/libMolecuilderQtUI.la \
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| 351 | Actions/libMolecuilderActions.la \
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| 352 | Graph/libMolecuilderGraph.la \
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| 353 | libMolecuilder.la \
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| 354 | Parser/libMolecuilderParser.la \
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| 355 | Shapes/libMolecuilderShapes.la \
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| 356 | LinearAlgebra/libMolecuilderLinearAlgebra.la \
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| 357 | Exceptions/libMolecuilderExceptions.la \
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| 358 | RandomNumbers/libMolecuilderRandomNumbers.la \
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| 359 | ${CodePatterns_LIBS} \
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| 360 | $(BOOST_LIB) \
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| 361 | ${GUI_LIBS}
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| 362 |
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| 363 | joiner_SOURCES = joiner.cpp datacreator.cpp datacreator.hpp periodentafel.hpp
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| 364 | joiner_LDADD = \
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| 365 | UIElements/libMolecuilderUI.la \
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| 366 | Actions/libMolecuilderActions.la \
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| 367 | Graph/libMolecuilderGraph.la \
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| 368 | libMolecuilder.la \
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| 369 | Parser/libMolecuilderParser.la \
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| 370 | Shapes/libMolecuilderShapes.la \
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| 371 | LinearAlgebra/libMolecuilderLinearAlgebra.la \
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| 372 | Exceptions/libMolecuilderExceptions.la \
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| 373 | RandomNumbers/libMolecuilderRandomNumbers.la \
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| 374 | ${CodePatterns_LIBS} \
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| 375 | $(BOOST_LIB)
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| 376 |
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| 377 | analyzer_SOURCES = analyzer.cpp datacreator.cpp periodentafel.hpp datacreator.hpp
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| 378 | analyzer_LDADD = \
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| 379 | UIElements/libMolecuilderUI.la \
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| 380 | Actions/libMolecuilderActions.la \
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| 381 | Graph/libMolecuilderGraph.la \
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| 382 | libMolecuilder.la \
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| 383 | Parser/libMolecuilderParser.la \
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| 384 | Shapes/libMolecuilderShapes.la \
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| 385 | LinearAlgebra/libMolecuilderLinearAlgebra.la \
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| 386 | Exceptions/libMolecuilderExceptions.la \
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| 387 | RandomNumbers/libMolecuilderRandomNumbers.la \
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| 388 | ${CodePatterns_LIBS} \
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| 389 | $(BOOST_LIB)
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| 390 |
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| 391 | #EXTRA_DIST = ${molecuilder_DATA}
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| 392 |
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| 393 | FORCE:
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| 394 | $(srcdir)/.git-version: FORCE
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| 395 | @if (test -d $(top_srcdir)/.git && cd $(srcdir) \
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| 396 | && { git describe --dirty --always || git describe; } ) > .git-version-t 2>/dev/null \
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| 397 | && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
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| 398 | mv -f .git-version-t $(srcdir)/.git-version; \
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| 399 | else \
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| 400 | rm -f .git-version-t; \
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| 401 | fi
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| 402 |
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| 403 | EXTRA_DIST = $(srcdir)/.git-version
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| 404 |
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| 405 | $(srcdir)/version.c: $(srcdir)/.git-version
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| 406 | echo "const char *MOLECUILDERVERSION = \"$(PACKAGE_NAME) version "`cat $(srcdir)/.git-version`"\";" > $@
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| 407 |
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| 408 |
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| 409 | unity.cpp: ${MOLECUILDERSOURCE} ${MOLECUILDERHEADER}
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| 410 | echo "#include \"$(srcdir)/Helpers/MemDebug.cpp\"" > unity.cpp; \
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| 411 | list='$(MOLECUILDERSOURCE)'; for file in $$list; do \
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| 412 | echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
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| 413 | done; \
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| 414 | subdirs='$(SUBDIRS)';for directory in $$subdirs; do\
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| 415 | olddir=$$PWD;\
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| 416 | cd $$directory && make unity.cpp;\
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| 417 | cd $$olddir;\
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| 418 | echo "#include \"$$directory/unity.cpp\"" >> unity.cpp;\
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| 419 | done;\
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| 420 | echo "#include \"$(srcdir)/builder.cpp\"" >> unity.cpp;
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| 421 | echo "#include \"$(srcdir)/version.c\"" >> unity.cpp;
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| 422 |
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| 423 | MOSTLYCLEANFILES = unity.cpp
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| 424 |
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