source: src/Makefile.am@ 52baf9

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 52baf9 was 52baf9, checked in by Frederik Heber <heber@…>, 15 years ago

new class FormatParserStorage takes care of allocation, uniqueness and de-allocation.

This is necessary as otherwise ofstream have to be given to each Parser on instantiation. I.e. files are written over at the start of the program. Critical exits will thus results in empty files.

  • new class FormatParserStorage:
    • singleton
    • contains a vector of all possible parsers
    • allows for a common naming with a prefix
    • SaveAll() can be used at the end of the program
  • TremoloParser::TremoloParser() - default usedFields has all keys from knownKeys.
  • FIX: TremoloParser::parseAtomDataKeysLine() - added clear for usedFields such that the function can be called more than once.
  • Property mode set to 100644
File size: 7.2 KB
Line 
1# PLEASE adhere to the alphabetical ordering in this Makefile!
2# Also indentation by a single tab
3
4SUBDIRS = Actions UIElements
5
6# this includes source files that need to be present at multiple points
7HELPERSOURCE = \
8 Helpers/Assert.cpp \
9 Helpers/MemDebug.cpp
10
11ATOMSOURCE = \
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
21ATOMHEADER = \
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
32LINALGSOURCE = \
33 ${HELPERSOURCE} \
34 gslmatrix.cpp \
35 gslvector.cpp \
36 linearsystemofequations.cpp \
37 Space.cpp \
38 vector.cpp
39
40LINALGHEADER = gslmatrix.hpp \
41 gslvector.hpp \
42 linearsystemofequations.hpp \
43 Space.hpp \
44 vector.hpp
45
46ANALYSISSOURCE = \
47 analysis_bonds.cpp \
48 analysis_correlation.cpp
49ANALYSISHEADER = \
50 analysis_bonds.hpp \
51 analysis_correlation.hpp
52
53ACTIONSSOURCE = \
54 Actions/Action.cpp \
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
64ACTIONSHEADER = \
65 ${ANALYSISACTIONHEADER} \
66 ${ATOMACTIONHEADER} \
67 ${CMDACTIONHEADER} \
68 ${FRAGMENTATIONACTIONHEADER} \
69 ${MOLECULEACTIONHEADER} \
70 ${PARSERACTIONHEADER} \
71 ${TESSELATIONACTIONHEADER} \
72 ${WORLDACTIONHEADER} \
73 Actions/Action.hpp \
74 Actions/ActionHistory.hpp \
75 Actions/ActionRegistry.hpp \
76 Actions/ActionSequence.hpp \
77 Actions/Calculation.hpp \
78 Actions/Calculation_impl.hpp \
79 Actions/ErrorAction.hpp \
80 Actions/MakroAction.hpp \
81 Actions/ManipulateAtomsProcess.hpp \
82 Actions/MapOfActions.hpp \
83 Actions/MethodAction.hpp \
84 Actions/Process.hpp
85
86
87PARSERSOURCE = \
88 Parser/ChangeTracker.cpp \
89 Parser/FormatParser.cpp \
90 Parser/FormatParserStorage.cpp \
91 Parser/MpqcParser.cpp \
92 Parser/PcpParser.cpp \
93 Parser/TremoloParser.cpp \
94 Parser/XyzParser.cpp
95
96PARSERHEADER = \
97 Parser/ChangeTracker.hpp \
98 Parser/FormatParser.hpp \
99 Parser/FormatParserStorage.hpp \
100 Parser/MpqcParser.hpp \
101 Parser/PcpParser.hpp \
102 Parser/TremoloParser.hpp \
103 Parser/XyzParser.hpp
104
105PATTERNSOURCE = \
106 Patterns/Observer.cpp
107PATTERNHEADER = \
108 Patterns/Cacheable.hpp \
109 Patterns/Observer.hpp \
110 Patterns/Singleton.hpp
111
112# all these files are only used for legacy reasons while the transition is in progress
113# they are only needed to keep the program usable at any point of the transition and will be
114# deleted once everything is fully refactored
115LEGACYSOURCE = Legacy/oldmenu.cpp
116LEGACYHEADER = Legacy/oldmenu.hpp
117
118DESCRIPTORSOURCE = Descriptors/AtomDescriptor.cpp \
119 Descriptors/AtomIdDescriptor.cpp \
120 Descriptors/AtomTypeDescriptor.cpp \
121 Descriptors/MoleculeDescriptor.cpp \
122 Descriptors/MoleculeIdDescriptor.cpp \
123 Descriptors/MoleculeNameDescriptor.cpp \
124 Descriptors/MoleculePtrDescriptor.cpp
125
126
127DESCRIPTORHEADER = Descriptors/AtomDescriptor.hpp \
128 Descriptors/AtomIdDescriptor.hpp \
129 Descriptors/AtomTypeDescriptor.hpp \
130 Descriptors/MoleculeDescriptor.hpp \
131 Descriptors/MoleculeIdDescriptor.hpp \
132 Descriptors/MoleculeNameDescriptor.hpp \
133 Descriptors/MoleculePtrDescriptor.hpp
134
135EXCEPTIONSOURCE = Exceptions/CustomException.cpp \
136 Exceptions/LinearDependenceException.cpp \
137 Exceptions/MathException.cpp \
138 Exceptions/SkewException.cpp \
139 Exceptions/ZeroVectorException.cpp
140
141EXCEPTIONHEADER = Exceptions/CustomException.hpp \
142 Exceptions/LinearDependenceException.hpp \
143 Exceptions/MathException.hpp \
144 Exceptions/SkewException.hpp \
145 Exceptions/ZeroVectorException.hpp
146
147SOURCE = \
148 ${ANALYSISSOURCE} \
149 ${ACTIONSSOURCE} \
150 ${ATOMSOURCE} \
151 ${PATTERNSOURCE} \
152 ${PARSERSOURCE} \
153 ${DESCRIPTORSOURCE} \
154 ${HELPERSOURCE} \
155 ${LEGACYSOURCE} \
156 ${EXCEPTIONSOURCE} \
157 bond.cpp \
158 bondgraph.cpp \
159 boundary.cpp \
160 CommandLineParser.cpp \
161 config.cpp \
162 ConfigFileBuffer.cpp \
163 element.cpp \
164 elements_db.cpp \
165 ellipsoid.cpp \
166 errorlogger.cpp \
167 graph.cpp \
168 helpers.cpp \
169 info.cpp \
170 leastsquaremin.cpp \
171 Line.cpp \
172 linkedcell.cpp \
173 log.cpp \
174 logger.cpp \
175 moleculelist.cpp \
176 molecule.cpp \
177 molecule_dynamics.cpp \
178 molecule_fragmentation.cpp \
179 molecule_geometry.cpp \
180 molecule_graph.cpp \
181 molecule_pointcloud.cpp \
182 parser.cpp \
183 periodentafel.cpp \
184 Plane.cpp \
185 Space.cpp \
186 tesselation.cpp \
187 tesselationhelpers.cpp \
188 ThermoStatContainer.cpp \
189 triangleintersectionlist.cpp \
190 vector.cpp \
191 vector_ops.cpp \
192 verbose.cpp \
193 World.cpp
194
195HEADER = \
196 ${ANALYSISHEADER} \
197 ${ACTIONSHEADER} \
198 ${ATOMHEADER} \
199 ${PARSERHEADER} \
200 ${PATTERNHEADER} \
201 ${DESCRIPTORHEADER} \
202 ${EXCEPTIONHEADER} \
203 ${LEGACYHEADER} \
204 bond.hpp \
205 bondgraph.hpp \
206 boundary.hpp \
207 CommandLineParser.hpp \
208 config.hpp \
209 ConfigFileBuffer.hpp \
210 defs.hpp \
211 element.hpp \
212 elements_db.hpp \
213 ellipsoid.hpp \
214 errorlogger.hpp \
215 graph.hpp \
216 helpers.hpp \
217 info.hpp \
218 leastsquaremin.hpp \
219 Line.hpp \
220 linkedcell.hpp \
221 lists.hpp \
222 log.hpp \
223 logger.hpp \
224 molecule.hpp \
225 molecule_template.hpp \
226 parser.hpp \
227 periodentafel.hpp \
228 Plane.hpp \
229 stackclass.hpp \
230 tesselation.hpp \
231 tesselationhelpers.hpp \
232 ThermoStatContainer.hpp \
233 triangleintersectionlist.hpp \
234 verbose.hpp \
235 vector_ops.hpp \
236 World.hpp
237
238# the following files are no longer used:
239# memoryallocator.hpp \
240# memoryallocator.cpp \
241# memoryusageobserver.hpp \
242# memoryusageobserver.cpp
243
244BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB)
245INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements
246
247noinst_LIBRARIES = libmolecuilder.a libgslwrapper.a
248bin_PROGRAMS = molecuilder joiner analyzer
249molecuilderdir = ${bindir}
250libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER}
251libgslwrapper_a_SOURCES = ${LINALGSOURCE} ${LINALGHEADER}
252molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
253molecuilder_LDFLAGS = $(BOOST_LDFLAGS)
254molecuilder_SOURCES = builder.cpp
255molecuilder_LDADD = UIElements/libMolecuilderUI.a Actions/libMolecuilderActions.a libmolecuilder.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB}
256joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
257joiner_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
258analyzer_SOURCES = analyzer.cpp datacreator.cpp parser.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
259analyzer_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
260
261FORCE:
262$(srcdir)/.git-version: FORCE
263 @if (test -d $(top_srcdir)/../.git && cd $(srcdir) && git describe HEAD) > .git-version-t 2>/dev/null \
264 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
265 mv -f .git-version-t $(srcdir)/.git-version; \
266 else \
267 rm -f .git-version-t; \
268 fi
269
270EXTRA_DIST = $(srcdir)/.git-version
271
272$(srcdir)/version.c: $(srcdir)/.git-version
273 echo "const char *ESPACKVersion = \"$(PACKAGE_NAME) -- git version: "`cat $(srcdir)/.git-version`"\";" > $@
274
275molecuilder_SOURCES += $(srcdir)/version.c
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