source: src/Makefile.am@ d0fbec

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 d0fbec was 35b698, checked in by Frederik Heber <heber@…>, 15 years ago

BIG CHANGE: config::load and config::save in ParseCommandLineOptions() and main() replaced with FormatParser replacements.

Fragmentation:

  • FIX: MoleculeFillWithMoleculeAction: filler atoms have to be removed before the system can be stored to file.
  • FIX: PcpParser::load() - has to put the molecule also into World's MoleculeListClass (otherwise the name cannot be set right after loading)
  • new Libparser.a
  • all sources from PARSER subdir are compiled into libparser such that only ParserUnitTest is recompiled.

Testfixes:

  • testsuite-fragmentation - changes to due to different -f calling syntax.
  • most of the xyz files had to be replaced due to a single whitespace at the end of each entry: Domain/6, Simple_configuration/2, Simple_configuration/3, Simple_configuration/4, Simple_configuration/5, Simple_configuration/8
  • in many cases were the number orbitals (and thus MaxMinStopStep) wrong: Filling/1, Simple_configuration/4, Simple_configuration/5

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

  • Property mode set to 100644
File size: 7.3 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 libparser.a
248bin_PROGRAMS = molecuilder joiner analyzer
249molecuilderdir = ${bindir}
250libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER}
251libparser_a_SOURCES = ${PARSERSOURCE} ${PARSERHEADER}
252libgslwrapper_a_SOURCES = ${LINALGSOURCE} ${LINALGHEADER}
253molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
254molecuilder_LDFLAGS = $(BOOST_LDFLAGS)
255molecuilder_SOURCES = builder.cpp
256molecuilder_LDADD = UIElements/libMolecuilderUI.a Actions/libMolecuilderActions.a libmolecuilder.a libparser.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB}
257joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
258joiner_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
259analyzer_SOURCES = analyzer.cpp datacreator.cpp parser.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
260analyzer_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB}
261
262FORCE:
263$(srcdir)/.git-version: FORCE
264 @if (test -d $(top_srcdir)/../.git && cd $(srcdir) && git describe HEAD) > .git-version-t 2>/dev/null \
265 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
266 mv -f .git-version-t $(srcdir)/.git-version; \
267 else \
268 rm -f .git-version-t; \
269 fi
270
271EXTRA_DIST = $(srcdir)/.git-version
272
273$(srcdir)/version.c: $(srcdir)/.git-version
274 echo "const char *ESPACKVersion = \"$(PACKAGE_NAME) -- git version: "`cat $(srcdir)/.git-version`"\";" > $@
275
276molecuilder_SOURCES += $(srcdir)/version.c
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