Changeset 490038 for src/builder.cpp

Timestamp:

Aug 17, 2010, 5:16:34 PM (15 years ago)

Author:

Frederik Heber <heber@…>

Branches:

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

Children:

2f6f51

Parents:

293afd

git-author:

Frederik Heber <heber@…> (08/17/10 14:14:34)

git-committer:

Frederik Heber <heber@…> (08/17/10 17:16:34)

Message:

added --with-valgrind switch to configure script.

• if given, we use valgrind in the testsuite call and fail when valgrind reports errors or leaking memory.
• is off by default.
• test_all.sh:
  • CXXFLAGS needs to be stated after configure such that configure can store the set value (also in its log)
  • always compiles with -Wall
  • in case of -g3 we use --with-valgrind to enable valgrinding of testsuite
  • extended function configure() to three arguments, to allow for recognizing "-g3"

File:

• src/builder.cpp (modified) (2 diffs)

src/builder.cpp

@@ -16 +16 @@
  *
  *  MoleCuilder - to create and alter molecular systems
- *  Copyright (C) 2010  University Bonn
- *
- *  This program is free software; you can redistribute it and/or modify
- *  it under the terms of the GNU General Public License as published by
- *  the Free Software Foundation; either version 2 of the License, or
- *  (at your option) any later version.
- *
- *  This program is distributed in the hope that it will be useful,
- *  but WITHOUT ANY WARRANTY; without even the implied warranty of
- *  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
- *  GNU General Public License for more details.
- *
- *  You should have received a copy of the GNU General Public License
- *  along with this program; if not, write to the Free Software
- *  Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA
+ *  Copyright (C) 2010  University Bonn. All rights reserved.
  *
  */
@@ -163 +149 @@
   cout << MOLECUILDERVERSION << endl;
   cout << "MoleCuilder comes with ABSOLUTELY NO WARRANTY; for details type" << endl;
-  cout << "`" << argv[0] << " --help-warranty'." << endl;
-  cout << "This is free software, and you are welcome to redistribute it" << endl;
-  cout << "under certain conditions; type `" << argv[0] << " --help-redistribute'" << endl;
-  cout << "for details." << endl;
+  cout << "`molecuilder --help-warranty'." << endl;
+  cout << "`MoleCuilder - to create and alter molecular systems." << endl;
+  cout << "Copyright (C) 2010  University Bonn. All rights reserved." << endl;
 
   setVerbosity(0);