source: tests/Calculations/Makefile.am@ abfc95

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 abfc95 was abfc95, checked in by Frederik Heber <heber@…>, 10 years ago

Added test for mpqc and fragmentation calculations in target extracheck.

  • calculations take some time, hence these tests are only executed in extracheck.
  • extracheck only does something in case of disable-jobmarket.
  • Property mode set to 100755
File size: 2.4 KB
Line 
1AUTOM4TE = autom4te
2
3TESTSUITE = $(srcdir)/testsuite
4
5TESTSCRIPTS = \
6 testsuite-calculations-1_2-dimethoxyethane.at \
7 testsuite-calculations-1_2-dimethylbenzene.at \
8 testsuite-calculations-2-methylcyclohexanone.at \
9 testsuite-calculations-anthracene.at \
10 testsuite-calculations-benzene.at \
11 testsuite-calculations-cholesterol.at \
12 testsuite-calculations-coronene.at \
13 testsuite-calculations-cycloheptane.at \
14 testsuite-calculations-dimethyl_bromomalonate.at \
15 testsuite-calculations-glucose.at \
16 testsuite-calculations-heptan.at \
17 testsuite-calculations-isoleucine.at \
18 testsuite-calculations-mpqc.at \
19 testsuite-calculations-naphthalene.at \
20 testsuite-calculations-neohexane.at \
21 testsuite-calculations-N_N-dimethylacetamide.at \
22 testsuite-calculations-phenanthrene.at \
23 testsuite-calculations-proline.at \
24 testsuite-calculations-putrescine.at \
25 testsuite-calculations-tartaric_acid.at
26
27DISTCLEANFILES = atconfig
28
29EXTRA_DIST = \
30 atlocal.in \
31 package.m4 \
32 testsuite.at \
33 $(TESTSUITE) \
34 $(TESTSCRIPTS)
35
36max_jobs = 4
37
38if CONDJOBMARKET
39
40extracheck:
41installextracheck:
42
43else
44
45extracheck: atlocal package.m4 $(TESTSUITE)
46 nrjobs=; \
47 for flag in $$MAKEFLAGS; do \
48 case $$flag in \
49 --* | =*=) ;; \
50 *j*) nrjobs="-j$(max_jobs)" ;; \
51 esac; \
52 done; \
53 $(SHELL) '$(TESTSUITE)' $$nrjobs AUTOTEST_PATH='$(abs_top_builddir)/src' $(TESTSUITEFLAGS)
54
55installextracheck: atconfig atlocal $(TESTSUITE)
56 nrjobs=; \
57 for flag in $$MAKEFLAGS; do \
58 case $$flag in \
59 --* | =*=) ;; \
60 *j*) nrjobs="-j$(max_jobs)" ;; \
61 esac; \
62 done; \
63 $(SHELL) '$(TESTSUITE)' $$nrjobs AUTOTEST_PATH='$(bindir)' $(TESTSUITEFLAGS)
64
65endif
66
67clean-local:
68 test ! -f '$(TESTSUITE)' || \
69 $(SHELL) '$(TESTSUITE)' --clean
70
71AUTOTEST = $(AUTOM4TE) --language=autotest
72$(TESTSUITE): $(srcdir)/testsuite.at package.m4 $(TESTSCRIPTS)
73 $(AUTOTEST) -I '$(srcdir)' -o $@.tmp $@.at
74 mv $@.tmp $@
75
76# The `:;' works around a Bash 3.2 bug when the output is not writeable.
77package.m4: $(top_srcdir)/configure.ac
78 :;{ \
79 echo '# Signature of the current package.' && \
80 echo 'm4_define([AT_PACKAGE_NAME], [@PACKAGE_NAME@])' && \
81 echo 'm4_define([AT_PACKAGE_TARNAME], [@PACKAGE_TARNAME@])' && \
82 echo 'm4_define([AT_PACKAGE_VERSION], [@PACKAGE_VERSION@])' && \
83 echo 'm4_define([AT_PACKAGE_STRING], [@PACKAGE_STRING@])' && \
84 echo 'm4_define([AT_PACKAGE_BUGREPORT], [@PACKAGE_BUGREPORT@])'; \
85 } >'package.m4'
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