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 db1a72 was c015b3, checked in by Frederik Heber <heber@…>, 13 years ago |
|
Added enable-switches for Qt-based GUI and python module and scripts.
- note that encapsulation in AS_IF is absolutely required as otherwise
lateron checks will produce strange errors as required checks reside
in an unseen if ..; then branch, initiated by AC_PROG() ... or other
contained macros.
- Added AM_CONDITIIONAL's to modify Makefile.ams depending on above enable
switches.
- AM_COND_IF controls whether certain Makefile's are produced or not.
- moved Python regression tests into own folder to control whether they
are executed or not.
- molecuildergui and libMolecuilderQtUI are only compiled with qtgui
enabled.
- same for pyMoleCuilder and its scripts only when python enabled.
|
-
Property mode
set to
100755
|
|
File size:
1.1 KB
|
| Line | |
|---|
| 1 | # Process with autom4te to create an -*- Autotest -*- test suite.
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| 2 | #
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| 3 | # see regression/... subdirs wherein for each of the cases and each check (enumerated) is a pre and post dir.
|
|---|
| 4 | # In pre initial files are placed, in post results can be found to be checked by diff in this testsuite.
|
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| 5 |
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| 6 | AT_INIT([Molecuilder Python module])
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| 7 | AT_TESTED(diff grep egrep fgrep)
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| 8 |
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| 9 | # makes functions in CheckCommand.sh available within the tests
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| 10 | # This is not yet working due to a bug in autotest (AC_CHECK cannot be used inside diversion)
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| 11 | #m4_divert_push([PREPARE_TESTS])
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| 12 | #m4_include([CheckCommand.sh])
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| 13 | #m4_divert_pop([PREPARE_TESTS])
|
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| 14 |
|
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| 15 | # Use colored output with new-enough Autotest.
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| 16 | m4_ifdef([AT_COLOR_TESTS], [AT_COLOR_TESTS])
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| 17 |
|
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| 18 | # CommandHelp
|
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| 19 | m4_include([CommandHelp/testsuite-python-commandhelp.at])
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| 20 |
|
|---|
| 21 | # options.dat complete
|
|---|
| 22 | m4_include([AllActions/testsuite-python-options_dat.at])
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| 23 |
|
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| 24 | # AllActions
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| 25 | m4_include([AllActions/testsuite-python-allactions.at])
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| 26 |
|
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| 27 | # ReturnValueActions
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| 28 | m4_include([ReturnValueActions/testsuite-python-returnvalueactions.at])
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| 29 |
|
|---|
| 30 | # BoxMaker
|
|---|
| 31 | m4_include([BoxMaker/testsuite-python-boxmaker.at])
|
|---|
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