source: src/Makefile.am@ 15b670

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 15b670 was 1024cb, checked in by Frederik Heber <heber@…>, 15 years ago

Merge commit 'jupiter/MoleculeStartEndSwitch' into CommandLineActionMapping

Conflicts:

molecuilder/src/Makefile.am
molecuilder/src/builder.cpp
molecuilder/src/config.cpp
molecuilder/src/helpers.hpp
molecuilder/src/molecule.cpp
molecuilder/src/molecule_dynamics.cpp
molecuilder/src/molecule_fragmentation.cpp
molecuilder/src/molecule_geometry.cpp
molecuilder/src/molecule_graph.cpp
molecuilder/src/moleculelist.cpp
molecuilder/src/unittests/AnalysisCorrelationToPointUnitTest.cpp
molecuilder/src/unittests/listofbondsunittest.cpp

Integration of MoleculeStartEndSwitch had the following consequences:

  • no more AtomCount -> getAtomCount()
  • no more start/end -> begin(), end() and iterator
  • no more decent ordering in atomic ids (hence, Simple_configuration/8 and Domain/5, Domain/6 now check by comparing sorted xyz, not confs)

There is still a huge problem with bonds. One test runs into an endless loop.

Signed-off-by: Frederik Heber <heber@…>

  • Property mode set to 100644
File size: 6.6 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/TremoloParser.cpp \
91 Parser/XyzParser.cpp
92PARSERHEADER = \
93 Parser/ChangeTracker.hpp \
94 Parser/FormatParser.hpp \
95 Parser/TremoloParser.hpp \
96 Parser/XyzParser.hpp
97
98PATTERNSOURCE = \
99 Patterns/Observer.cpp
100PATTERNHEADER = \
101 Patterns/Cacheable.hpp \
102 Patterns/Observer.hpp \
103 Patterns/Singleton.hpp
104
105# all these files are only used for legacy reasons while the transition is in progress
106# they are only needed to keep the program usable at any point of the transition and will be
107# deleted once everything is fully refactored
108LEGACYSOURCE = Legacy/oldmenu.cpp
109LEGACYHEADER = Legacy/oldmenu.hpp
110
111DESCRIPTORSOURCE = Descriptors/AtomDescriptor.cpp \
112 Descriptors/AtomIdDescriptor.cpp \
113 Descriptors/AtomTypeDescriptor.cpp \
114 Descriptors/MoleculeDescriptor.cpp \
115 Descriptors/MoleculeIdDescriptor.cpp
116
117
118DESCRIPTORHEADER = Descriptors/AtomDescriptor.hpp \
119 Descriptors/AtomIdDescriptor.hpp \
120 Descriptors/AtomTypeDescriptor.hpp \
121 Descriptors/MoleculeDescriptor.hpp \
122 Descriptors/MoleculeIdDescriptor.hpp
123
124EXCEPTIONSOURCE = Exceptions/CustomException.cpp \
125 Exceptions/LinearDependenceException.cpp \
126 Exceptions/MathException.cpp \
127 Exceptions/ZeroVectorException.cpp
128
129EXCEPTIONHEADER = Exceptions/CustomException.hpp \
130 Exceptions/LinearDependenceException.hpp \
131 Exceptions/MathException.hpp \
132 Exceptions/ZeroVectorException.hpp
133
134SOURCE = \
135 ${ANALYSISSOURCE} \
136 ${ACTIONSSOURCE} \
137 ${ATOMSOURCE} \
138 ${PATTERNSOURCE} \
139 ${PARSERSOURCE} \
140 ${DESCRIPTORSOURCE} \
141 ${HELPERSOURCE} \
142 ${LEGACYSOURCE} \
143 ${EXCEPTIONSOURCE} \
144 bond.cpp \
145 bondgraph.cpp \
146 boundary.cpp \
147 CommandLineParser.cpp \
148 config.cpp \
149 element.cpp \
150 elements_db.cpp \
151 ellipsoid.cpp \
152 errorlogger.cpp \
153 graph.cpp \
154 helpers.cpp \
155 info.cpp \
156 leastsquaremin.cpp \
157 Line.cpp \
158 linkedcell.cpp \
159 log.cpp \
160 logger.cpp \
161 moleculelist.cpp \
162 molecule.cpp \
163 molecule_dynamics.cpp \
164 molecule_fragmentation.cpp \
165 molecule_geometry.cpp \
166 molecule_graph.cpp \
167 molecule_pointcloud.cpp \
168 parser.cpp \
169 periodentafel.cpp \
170 Plane.cpp \
171 Space.cpp \
172 tesselation.cpp \
173 tesselationhelpers.cpp \
174 triangleintersectionlist.cpp \
175 vector.cpp \
176 vector_ops.cpp \
177 verbose.cpp \
178 World.cpp
179
180HEADER = \
181 ${ANALYSISHEADER} \
182 ${ACTIONSHEADER} \
183 ${ATOMHEADER} \
184 ${PARSERHEADER} \
185 ${PATTERNHEADER} \
186 ${DESCRIPTORHEADER} \
187 ${EXCEPTIONHEADER} \
188 ${LEGACYHEADER} \
189 bond.hpp \
190 bondgraph.hpp \
191 boundary.hpp \
192 CommandLineParser.hpp \
193 config.hpp \
194 defs.hpp \
195 element.hpp \
196 elements_db.hpp \
197 ellipsoid.hpp \
198 errorlogger.hpp \
199 graph.hpp \
200 helpers.hpp \
201 info.hpp \
202 leastsquaremin.hpp \
203 Line.hpp \
204 linkedcell.hpp \
205 lists.hpp \
206 log.hpp \
207 logger.hpp \
208 molecule.hpp \
209 molecule_template.hpp \
210 parser.hpp \
211 periodentafel.hpp \
212 Plane.hpp \
213 stackclass.hpp \
214 tesselation.hpp \
215 tesselationhelpers.hpp \
216 triangleintersectionlist.hpp \
217 verbose.hpp \
218 vector_ops.hpp \
219 World.hpp
220
221# the following files are no longer used:
222# memoryallocator.hpp \
223# memoryallocator.cpp \
224# memoryusageobserver.hpp \
225# memoryusageobserver.cpp
226
227BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB)
228INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements
229
230noinst_LIBRARIES = libmolecuilder.a libgslwrapper.a
231bin_PROGRAMS = molecuilder joiner analyzer
232molecuilderdir = ${bindir}
233libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER}
234libgslwrapper_a_SOURCES = ${LINALGSOURCE} ${LINALGHEADER}
235molecuilder_LDFLAGS = $(BOOST_LDFLAGS)
236molecuilder_SOURCES = builder.cpp
237molecuilder_LDADD = UIElements/libMolecuilderUI.a Actions/libMolecuilderActions.a libmolecuilder.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB}
238joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
239joiner_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
240analyzer_SOURCES = analyzer.cpp datacreator.cpp parser.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
241analyzer_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
242
243FORCE:
244$(srcdir)/.git-version: FORCE
245 @if (test -d $(top_srcdir)/../.git && cd $(srcdir) && git describe HEAD) > .git-version-t 2>/dev/null \
246 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
247 mv -f .git-version-t $(srcdir)/.git-version; \
248 else \
249 rm -f .git-version-t; \
250 fi
251
252EXTRA_DIST = $(srcdir)/.git-version
253
254$(srcdir)/version.c: $(srcdir)/.git-version
255 echo "const char *ESPACKVersion = \"$(PACKAGE_NAME) -- git version: "`cat $(srcdir)/.git-version`"\";" > $@
256
257molecuilder_SOURCES += $(srcdir)/version.c
Note: See TracBrowser for help on using the repository browser.