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 fc1b24 was 36eb4e, checked in by Frederik Heber <heber@…>, 15 years ago |
|
Added Tesselation testsets as TESTS to molecuilder.
- defs.in with functions to run the tesselations.
- For each test a .xyz and .dat file is given.
Signed-off-by: Frederik Heber <heber@…>
|
-
Property mode
set to
100755
|
|
File size:
1.1 KB
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| Line | |
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| 1 | AUTOM4TE = autom4te
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| 2 | EXTRA_DIST = testsuite.at $(TESTSUITE) atlocal.in regression
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| 3 | TESTSUITE = $(srcdir)/testsuite
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| 4 |
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| 5 | SUBDIRS = Tesselations
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| 6 |
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| 7 | check-local: atconfig atlocal package.m4 $(TESTSUITE)
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| 8 | $(SHELL) '$(TESTSUITE)' $(TESTSUITEFLAGS)
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| 9 |
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| 10 | installcheck-local: atconfig atlocal $(TESTSUITE)
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| 11 | $(SHELL) '$(TESTSUITE)' AUTOTEST_PATH='$(bindir)' \
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| 12 | $(TESTSUITEFLAGS)
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| 13 |
|
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| 14 | clean-local:
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| 15 | test ! -f '$(TESTSUITE)' || \
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| 16 | $(SHELL) '$(TESTSUITE)' --clean
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| 17 |
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| 18 | AUTOTEST = $(AUTOM4TE) --language=autotest
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| 19 | $(TESTSUITE): $(srcdir)/testsuite.at
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| 20 | $(AUTOTEST) -I '$(srcdir)' -o $@.tmp $@.at
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| 21 | mv $@.tmp $@
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| 22 |
|
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| 23 | # The `:;' works around a Bash 3.2 bug when the output is not writeable.
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| 24 | $(srcdir)/package.m4: $(top_srcdir)/configure.ac
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| 25 | :;{ \
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| 26 | echo '# Signature of the current package.' && \
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| 27 | echo 'm4_define([AT_PACKAGE_NAME], [@PACKAGE_NAME@])' && \
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| 28 | echo 'm4_define([AT_PACKAGE_TARNAME], [@PACKAGE_TARNAME@])' && \
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| 29 | echo 'm4_define([AT_PACKAGE_VERSION], [@PACKAGE_VERSION@])' && \
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| 30 | echo 'm4_define([AT_PACKAGE_STRING], [@PACKAGE_STRING@])' && \
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| 31 | echo 'm4_define([AT_PACKAGE_BUGREPORT], [@PACKAGE_BUGREPORT@])'; \
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| 32 | } >'$(srcdir)/package.m4'
|
|---|
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