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
Candidate_v1.7.0
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 8ea3e7 was e85333, checked in by Frederik Heber <heber@…>, 14 years ago |
|
DISTCHECKFIX: AUTOTEST_PATH is now used as path to moleculder in molecuiler.in for tests.
|
-
Property mode
set to
100755
|
|
File size:
514 bytes
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| Line | |
|---|
| 1 | #!/bin/sh
|
|---|
| 2 | #
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| 3 | # wrapper for testing molecuilder
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|---|
| 4 |
|
|---|
| 5 | . ../../atlocal
|
|---|
| 6 |
|
|---|
| 7 | if test ! -z ${valgrind}
|
|---|
| 8 | then
|
|---|
| 9 | G_SLICE=always-malloc G_DEBUG=gc-friendly \
|
|---|
| 10 | libtool --mode=execute \
|
|---|
| 11 | ${valgrind} -v \
|
|---|
| 12 | --log-file=valgrind.log \
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|---|
| 13 | --xml=yes \
|
|---|
| 14 | --xml-file=valgrind.err \
|
|---|
| 15 | --time-stamp=yes \
|
|---|
| 16 | --error-exitcode=255 \
|
|---|
| 17 | --leak-check=full \
|
|---|
| 18 | --leak-resolution=high \
|
|---|
| 19 | --num-callers=20 \
|
|---|
| 20 | --track-origins=yes \
|
|---|
| 21 | --show-reachable=yes \
|
|---|
| 22 | "${AUTOTEST_PATH}/molecuilder" \
|
|---|
| 23 | ${1+"$@"}
|
|---|
| 24 | else
|
|---|
| 25 | "${AUTOTEST_PATH}/molecuilder" \
|
|---|
| 26 | ${1+"$@"}
|
|---|
| 27 | fi
|
|---|
| 28 |
|
|---|
| 29 | status=$?
|
|---|
| 30 |
|
|---|
| 31 | exit $status
|
|---|
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