source: tests/regression/Makefile.am@ 4782599

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 4782599 was 4782599, checked in by Frederik Heber <heber@…>, 14 years ago

FIX: new regression test for PrincipalAxisSystemAction is prone to numerical instability.

  • if we test for 0, 1e-17 is not a match ...
  • renamed former subfolder 5 to PrincipalAxisSystem according to new naming scheme.
  • Action also now solves for the eigen system of the 3x3 inertia tensor and prints eigenvalues.
  • Property mode set to 100755
File size: 3.4 KB
Line 
1AUTOM4TE = autom4te
2EXTRA_DIST = \
3 testsuite*.at \
4 $(TESTSUITE) \
5 atlocal.in \
6 molecuider.in \
7 Analysis \
8 Domain \
9 Filling \
10 Fragmentation \
11 Graph \
12 Molecules \
13 Selection \
14 Simple_configuration \
15 Tesselation
16TESTSUITE = $(srcdir)/testsuite
17
18TESTSCRIPTS = \
19 $(srcdir)/Analysis/testsuite-analysis.at \
20 $(srcdir)/Analysis/testsuite-analysis-pair-correlation.at \
21 $(srcdir)/Analysis/testsuite-analysis-point-correlation.at \
22 $(srcdir)/Analysis/testsuite-analysis-surface-correlation.at \
23 $(srcdir)/Analysis/PrincipalAxisSystem/testsuite-analysis-principal-axis-system.at \
24 $(srcdir)/Analysis/testsuite-analysis-angular-dipole-correlation-empty.at \
25 $(srcdir)/Analysis/testsuite-analysis-angular-dipole-correlation-discrete-angles.at \
26 $(srcdir)/Analysis/testsuite-analysis-angular-dipole-correlation-random-distribution.at \
27 $(srcdir)/testsuite-domain.at \
28 $(srcdir)/Filling/testsuite-filling.at \
29 $(srcdir)/Filling/testsuite-fill-with-molecule.at \
30 $(srcdir)/Filling/testsuite-suspend-in-water.at \
31 $(srcdir)/Filling/testsuite-fill-void-with-molecule.at \
32 $(srcdir)/testsuite-fragmentation.at \
33 $(srcdir)/testsuite-graph.at \
34 $(srcdir)/testsuite-molecules.at \
35 $(srcdir)/testsuite-simple_configuration.at \
36 $(srcdir)/Selection/testsuite-selection.at \
37 $(srcdir)/Selection/Atoms/testsuite-selection-all-atoms.at \
38 $(srcdir)/Selection/Atoms/testsuite-selection-atoms-by-element.at \
39 $(srcdir)/Selection/Atoms/testsuite-selection-atom-by-id.at \
40 $(srcdir)/Selection/Atoms/testsuite-selection-atoms-inside-cuboid.at \
41 $(srcdir)/Selection/Atoms/testsuite-selection-atoms-inside-sphere.at \
42 $(srcdir)/Selection/Atoms/testsuite-selection-atoms-of-molecule.at \
43 $(srcdir)/Selection/Atoms/testsuite-selection-clear-atoms.at \
44 $(srcdir)/Selection/Molecules/testsuite-selection-all-molecules.at \
45 $(srcdir)/Selection/Molecules/testsuite-selection-clear-molecules.at \
46 $(srcdir)/Selection/Molecules/testsuite-selection-molecules-by-formula.at \
47 $(srcdir)/Selection/Molecules/testsuite-selection-molecule-by-id.at \
48 $(srcdir)/Selection/Molecules/testsuite-selection-molecules-by-name.at \
49 $(srcdir)/Selection/Molecules/testsuite-selection-molecules-of-atoms.at \
50 $(srcdir)/testsuite-specifics.at \
51 $(srcdir)/testsuite-standard_options.at \
52 $(srcdir)/testsuite-tesselation.at
53
54
55max_jobs = 4
56
57check-local: atconfig atlocal package.m4 $(TESTSUITE)
58 nrjobs=; \
59 for flag in $$MAKEFLAGS; do \
60 case $$flag in \
61 --* | =*=) ;; \
62 *j*) nrjobs="-j$(max_jobs)" ;; \
63 esac; \
64 done; \
65 $(SHELL) '$(TESTSUITE)' $$nrjobs $(TESTSUITEFLAGS)
66
67installcheck-local: atconfig atlocal $(TESTSUITE)
68 $(SHELL) '$(TESTSUITE)' AUTOTEST_PATH='$(bindir)' \
69 $(TESTSUITEFLAGS)
70
71clean-local:
72 test ! -f '$(TESTSUITE)' || \
73 $(SHELL) '$(TESTSUITE)' --clean
74
75AUTOTEST = $(AUTOM4TE) --language=autotest
76$(TESTSUITE): $(srcdir)/testsuite.at $(TESTSCRIPTS)
77 $(AUTOTEST) -I '$(srcdir)' -o $@.tmp $@.at
78 mv $@.tmp $@
79
80# The `:;' works around a Bash 3.2 bug when the output is not writeable.
81$(srcdir)/package.m4: $(top_srcdir)/configure.ac
82 :;{ \
83 echo '# Signature of the current package.' && \
84 echo 'm4_define([AT_PACKAGE_NAME], [@PACKAGE_NAME@])' && \
85 echo 'm4_define([AT_PACKAGE_TARNAME], [@PACKAGE_TARNAME@])' && \
86 echo 'm4_define([AT_PACKAGE_VERSION], [@PACKAGE_VERSION@])' && \
87 echo 'm4_define([AT_PACKAGE_STRING], [@PACKAGE_STRING@])' && \
88 echo 'm4_define([AT_PACKAGE_BUGREPORT], [@PACKAGE_BUGREPORT@])'; \
89 } >'$(srcdir)/package.m4'
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