# # ChangeLog for configure.ac # # Generated by Trac 1.4.4 # Mar 25, 2025, 10:15:54 AM Mon, 07 Jun 2010 23:54:32 GMT Frederik Heber <heber@…> [19c0e3] * configure.ac (modified) FIX: Boost >1.38 is needed for program_options to have working ... Sun, 30 May 2010 09:18:14 GMT Frederik Heber <heber@…> [b2b47f] * configure.ac (modified) * tests/Makefile.am (modified) * tests/regression/Makefile.am (added) * tests/regression/atlocal.in (moved) * tests/regression/molecuilder.in (moved) * tests/regression/testsuite.at (moved) Shifted regression testsuite into folder regression. This is to ... Tue, 18 May 2010 15:18:24 GMT Frederik Heber <heber@…> [5079a0] * Makefile.am (modified) * configure.ac (modified) * src/Actions/Makefile.am (added) * src/Makefile.am (modified) * src/UIElements/CommandLineUI/CommandLineDialog.cpp (moved) * src/UIElements/CommandLineUI/CommandLineDialog.hpp (moved) * src/UIElements/CommandLineUI/CommandLineStatusIndicator.cpp (moved) * src/UIElements/CommandLineUI/CommandLineStatusIndicator.hpp (moved) * src/UIElements/CommandLineUI/CommandLineUIFactory.cpp (moved) * src/UIElements/CommandLineUI/CommandLineUIFactory.hpp (moved) * src/UIElements/CommandLineUI/CommandLineWindow.cpp (moved) * src/UIElements/CommandLineUI/CommandLineWindow.hpp (moved) * src/UIElements/Dialog.cpp (modified) * src/UIElements/MainWindow.cpp (modified) * src/UIElements/Makefile.am (added) * src/UIElements/Menu/ActionMenuItem.cpp (moved) * src/UIElements/Menu/ActionMenuItem.hpp (moved) * src/UIElements/Menu/DisplayMenuItem.cpp (moved) * src/UIElements/Menu/DisplayMenuItem.hpp (moved) * src/UIElements/Menu/Menu.cpp (moved) * src/UIElements/Menu/Menu.hpp (moved) * src/UIElements/Menu/MenuItem.cpp (moved) * src/UIElements/Menu/MenuItem.hpp (moved) * src/UIElements/Menu/SeperatorItem.cpp (moved) * src/UIElements/Menu/SeperatorItem.hpp (moved) * src/UIElements/Menu/SubMenuItem.cpp (moved) * src/UIElements/Menu/SubMenuItem.hpp (moved) * src/UIElements/Menu/TextMenu.cpp (moved) * src/UIElements/Menu/TextMenu.hpp (moved) * src/UIElements/TextUI/TextDialog.cpp (moved) * src/UIElements/TextUI/TextDialog.hpp (moved) * src/UIElements/TextUI/TextStatusIndicator.cpp (moved) * src/UIElements/TextUI/TextStatusIndicator.hpp (moved) * src/UIElements/TextUI/TextUIFactory.cpp (moved) * src/UIElements/TextUI/TextUIFactory.hpp (moved) * src/UIElements/TextUI/TextWindow.cpp (moved) * src/UIElements/TextUI/TextWindow.hpp (moved) * src/UIElements/UIFactory.cpp (modified) * src/UIElements/Views/MethodStringView.cpp (moved) * src/UIElements/Views/MethodStringView.hpp (moved) * src/UIElements/Views/StreamStringView.cpp (moved) * src/UIElements/Views/StreamStringView.hpp (moved) * src/UIElements/Views/StringView.cpp (moved) * src/UIElements/Views/StringView.hpp (moved) * src/UIElements/Views/View.cpp (moved) * src/UIElements/Views/View.hpp (moved) Actions put into libMolecuilderActions, UIElements into ... Sat, 08 May 2010 19:14:29 GMT Frederik Heber <heber@…> [c6efc1] * configure.ac (modified) * src/CommandLineParser.cpp (added) * src/CommandLineParser.hpp (added) * src/Makefile.am (modified) * src/builder.cpp (modified) Begin of Refactoring of ParseCommandLineOptions(). - new singleton ... Thu, 25 Feb 2010 14:17:15 GMT Frederik Heber <heber@…> [9b6b2f] * configure.ac (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/ActionSequenceTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * src/unittests/CacheableTest.cpp (modified) * src/unittests/DescriptorUnittest.cpp (modified) * src/unittests/Makefile.am (modified) * src/unittests/ObserverTest.cpp (modified) * src/unittests/TestRunnerMain.cpp (added) * src/unittests/UnitTestMain.cpp (added) * src/unittests/analysisbondsunittest.cpp (modified) * src/unittests/bondgraphunittest.cpp (modified) * src/unittests/gslmatrixsymmetricunittest.cpp (modified) * src/unittests/gslmatrixunittest.cpp (modified) * src/unittests/gslvectorunittest.cpp (modified) * src/unittests/infounittest.cpp (modified) * src/unittests/linearsystemofequationsunittest.cpp (modified) * src/unittests/listofbondsunittest.cpp (modified) * src/unittests/logunittest.cpp (modified) * src/unittests/memoryallocatorunittest.cpp (modified) * src/unittests/memoryusageobserverunittest.cpp (modified) * src/unittests/stackclassunittest.cpp (modified) * src/unittests/tesselation_boundarytriangleunittest.cpp (modified) * src/unittests/tesselation_insideoutsideunittest.cpp (modified) * src/unittests/tesselationunittest.cpp (modified) * src/unittests/vectorunittest.cpp (modified) Tests now work with Eclipse ECUT's TestRunner. - new switch in ... Fri, 05 Feb 2010 14:59:41 GMT Tillmann Crueger <crueger@…> [4d9c01] * configure.ac (modified) * m4/m4_ax_boost_thread.m4 (added) * src/Makefile.am (modified) * src/World.cpp (modified) * src/World.hpp (modified) * src/unittests/Makefile.am (modified) Fixed some problems with the usage of Boost::threads Tue, 10 Nov 2009 20:57:58 GMT Frederik Heber <heber@…> [36eb4e] * configure.ac (modified) * tests/Makefile.am (modified) * tests/Tesselations/1_2-dimethoxyethane.test (added) * tests/Tesselations/1_2-dimethoxyethane/1_2-dimethoxyethane.xyz (added) * tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (added) * tests/Tesselations/1_2-dimethylbenzene.test (added) * tests/Tesselations/1_2-dimethylbenzene/1_2-dimethylbenzene.xyz (added) * tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (added) * tests/Tesselations/1_2-dimethylbenzene/tecplot.phy (added) * tests/Tesselations/2-methylcyclohexanone.test (added) * tests/Tesselations/2-methylcyclohexanone/2-methylcyclohexanone.xyz (added) * tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (added) * tests/Tesselations/C16_0-Torus.test (added) * tests/Tesselations/C16_0-Torus/C16_0-Torus.xyz (added) * tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (added) * tests/Tesselations/Makefile.am (added) * tests/Tesselations/N_N-dimethylacetamide.test (added) * tests/Tesselations/N_N-dimethylacetamide/N_N-dimethylacetamide.xyz (added) * tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat (added) * tests/Tesselations/cholesterol.test (added) * tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (added) * tests/Tesselations/cholesterol/cholesterol.xyz (added) * tests/Tesselations/cluster.test (added) * tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (added) * tests/Tesselations/cluster/cluster.dbond (added) * tests/Tesselations/cluster/cluster.xyz (added) * tests/Tesselations/cycloheptane.test (added) * tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (added) * tests/Tesselations/cycloheptane/cycloheptane.xyz (added) * tests/Tesselations/dimethyl_bromomalonate.test (added) * tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (added) * tests/Tesselations/dimethyl_bromomalonate/dimethyl_bromomalonate.xyz (added) * tests/Tesselations/glucose.test (added) * tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (added) * tests/Tesselations/glucose/glucose.xyz (added) * tests/Tesselations/heptan.test (added) * tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (added) * tests/Tesselations/heptan/heptan.xyz (added) * tests/Tesselations/isoleucine.test (added) * tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (added) * tests/Tesselations/isoleucine/isoleucine.xyz (added) * tests/Tesselations/neohexane.test (added) * tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (added) * tests/Tesselations/neohexane/neohexane.xyz (added) * tests/Tesselations/proline.test (added) * tests/Tesselations/proline/NonConvexEnvelope-proline.dat (added) * tests/Tesselations/proline/proline.xyz (added) * tests/Tesselations/putrescine.test (added) * tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (added) * tests/Tesselations/putrescine/putrescine.xyz (added) * tests/Tesselations/round_cluster.test (added) * tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (added) * tests/Tesselations/round_cluster/round_cluster.dbond (added) * tests/Tesselations/round_cluster/round_cluster.xyz (added) * tests/Tesselations/tartaric_acid.test (added) * tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (added) * tests/Tesselations/tartaric_acid/tartaric_acid.xyz (added) Added Tesselation testsets as TESTS to molecuilder. - defs.in with ... Tue, 27 Oct 2009 16:11:22 GMT Frederik Heber <heber@…> [776b64] * configure.ac (modified) * src/analysis_correlation.cpp (modified) * src/analysis_correlation.hpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/ellipsoid.cpp (modified) * src/leastsquaremin.cpp (modified) * src/leastsquaremin.hpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/molecule.cpp (modified) * src/molecule.hpp (modified) * src/molecule_geometry.cpp (modified) * src/molecule_graph.cpp (modified) * src/molecule_pointcloud.cpp (modified) * src/moleculelist.cpp (modified) * src/tesselation.cpp (modified) * src/tesselation.hpp (modified) * src/tesselationhelpers.cpp (modified) * src/tesselationhelpers.hpp (modified) * src/unittests/ActOnAllUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Huge refactoring to make const what is const (ticket #38), continued. ... Fri, 09 Oct 2009 12:30:54 GMT Frederik Heber <heber@…> [c111db] * Makefile.am (modified) * configure.ac (modified) * src/Makefile.am (modified) * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/bond.cpp (modified) * src/builder.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/memoryallocator.hpp (modified) * src/memoryusageobserver.cpp (modified) * src/memoryusageobserver.hpp (modified) * src/unittests/ActOnAllUnitTest.cpp (moved) * src/unittests/ActOnAllUnitTest.hpp (moved) * src/unittests/ActOnAlltest.hpp (moved) * src/unittests/Makefile.am (added) * src/unittests/memoryallocatorunittest.cpp (moved) * src/unittests/memoryallocatorunittest.hpp (moved) * src/unittests/memoryusageobserverunittest.cpp (moved) * src/unittests/memoryusageobserverunittest.hpp (moved) * src/unittests/tesselationunittest.cpp (moved) * src/unittests/tesselationunittest.hpp (moved) * src/unittests/vectorunittest.cpp (moved) * src/unittests/vectorunittest.hpp (moved) Merge branch 'new-delete-conversion' into CodeRefactoring ... Wed, 07 Oct 2009 15:35:17 GMT metzler <metzler@…> [b9907c] * Makefile.am (modified) * configure.ac (modified) * src/Makefile.am (modified) * src/unittests/Makefile.am (modified) Ticket 30: Put molecuilder unit tests in their own subfolder in src Wed, 07 Oct 2009 15:04:23 GMT Saskia Metzler <metzler@…> [be90f1] * configure.ac (modified) * src/Makefile.am (modified) * src/builder.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/memoryallocator.hpp (modified) * src/unittests/Makefile.am (added) * src/unittests/memoryallocatorunittest.cpp (moved) * src/unittests/memoryallocatorunittest.hpp (moved) * src/unittests/memoryusageobserverunittest.cpp (moved) * src/unittests/memoryusageobserverunittest.hpp (moved) * src/unittests/tesselationunittest.cpp (moved) * src/unittests/tesselationunittest.hpp (moved) * src/unittests/vectorunittest.cpp (moved) * src/unittests/vectorunittest.hpp (moved) temp commit Mon, 05 Oct 2009 18:43:43 GMT Frederik Heber <heber@…> [fa861b] * configure.ac (modified) * m4/ax_boost_base.m4 (added) * m4/ax_boost_program_options.m4 (added) * src/Makefile.am (modified) Included BOOST library MPL into autoconf setup. Tue, 18 Aug 2009 08:48:06 GMT Frederik Heber <heber@…> [54a746] * configure.ac (modified) * src/Makefile.am (modified) * src/leastsquaremin.cpp (added) * src/leastsquaremin.hpp (added) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/tesselation.cpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/vectorunittest.cpp (added) * src/vectorunittest.hpp (added) Incorporation of Unit test on class Vector. - new file ... Thu, 13 Aug 2009 20:30:07 GMT Frederik Heber <heber@…> [570125] * configure.ac (modified) * doc/Makefile.am (modified) * doc/molecuilder.xml.in (added) Manpage is created via xmlto with a docbook stylesheet. - Hooks in ... Mon, 09 Feb 2009 17:24:10 GMT Frederik Heber <heber@…> [6ac7ee] * ChangeLog (modified) * Makefile.am (modified) * configure.ac (modified) * doc/Doxyfile (modified) * doc/Makefile.am (modified) * m4/ac_doxygen.m4 (modified) * m4/acx_compilerflags.m4 (modified) * src/.#border.cpp (deleted) * src/.#molecules.hpp (deleted) * src/Hbondangle.db (modified) * src/Hbonddistance.db (modified) * src/Makefile.am (modified) * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/bond.cpp (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/datacreator.cpp (modified) * src/datacreator.hpp (modified) * src/defs.hpp (modified) * src/element.cpp (modified) * src/elements.db (modified) * src/ellipsoid.cpp (added) * src/ellipsoid.hpp (added) * src/graph.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/joiner.cpp (modified) * src/linkedcell.cpp (modified) * src/linkedcell.hpp (modified) * src/moleculelist.cpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/orbitals.db (modified) * src/parser.cpp (modified) * src/parser.hpp (modified) * src/periodentafel.cpp (modified) * src/periodentafel.hpp (modified) * src/stackclass.hpp (modified) * src/valence.db (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) * src/verbose.cpp (modified) * tests/Makefile.am (modified) * tests/atlocal.in (modified) * tests/molecuilder.in (modified) * tests/testsuite.at (modified) Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull ... Tue, 16 Dec 2008 18:39:28 GMT Christian Neuen <neuen@…> [e4ea46] * configure.ac (modified) * src/boundary.cpp (modified) * src/boundary.hpp (modified) * src/vector.cpp (modified) * src/vector.hpp (modified) Tesselation starts to look good, minor discrepancies are still there ... Tue, 09 Sep 2008 07:46:15 GMT Frederik Heber <heber@…> [bd3e55] * configure.ac (modified) configure BUGFIX: GSL may be linked against cblas_... functions or ... Sat, 07 Jun 2008 13:16:19 GMT Frederik Heber <heber@…> [a19da5d] * configure.ac (modified) * m4/ac_doxygen.m4 (modified) * m4/acx_compilerflags.m4 (added) new aclocal macro with controles all the enable- ... Fri, 30 May 2008 15:48:16 GMT Frederik Heber <heber@…> [0ba2b0a] * configure.ac (modified) libblas needed for libgsl is now found via AC_SEARCH_LIB and list ... Fri, 30 May 2008 13:50:45 GMT Frederik Heber <heber@…> [95078c] * configure.ac (modified) * src/Makefile.am (modified) AM_CFLAGS thrown out as warnings are added to CFLAGS in configure- ... Sun, 27 Apr 2008 13:04:01 GMT Frederik Heber <heber@…> [0ca39c] * Makefile.am (modified) * configure.ac (modified) Complete test kit (make check) for the three parts: pcp, molecuilder, ... Fri, 25 Apr 2008 10:29:18 GMT Frederik Heber <heber@…> [13aab9] * configure.ac (modified) normal blas (e.g. prefered gotoblas) instead of gslcblas is used in ... Thu, 24 Apr 2008 16:59:35 GMT Frederik Heber <heber@…> [2cab01c] * configure.ac (modified) AC_MSG_WARN if both optimization and debug present removed As ... Thu, 24 Apr 2008 13:52:02 GMT Frederik Heber <heber@…> [d3a46d] * configure.ac (modified) * src/Makefile.am (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/molecules.cpp (modified) added --enable-optimization, thrown -g -O specifics out of ... Fri, 18 Apr 2008 11:26:42 GMT Frederik Heber <heber@…> [14de469] * AUTHORS (added) * ChangeLog (added) * Makefile.am (added) * NEWS (added) * README (added) * autogen.sh (added) * configure.ac (added) * doc/Doxyfile (added) * doc/Makefile.am (added) * m4/ac_doxygen.m4 (added) * src/Hbondangle.db (added) * src/Hbonddistance.db (added) * src/Makefile.am (added) * src/analyzer.cpp (added) * src/atom.cpp (added) * src/bond.cpp (added) * src/builder.cpp (added) * src/config.cpp (added) * src/datacreator.cpp (added) * src/datacreator.hpp (added) * src/defs.hpp (added) * src/element.cpp (added) * src/elements.db (added) * src/graph.cpp (added) * src/helpers.cpp (added) * src/helpers.hpp (added) * src/joiner.cpp (added) * src/moleculelist.cpp (added) * src/molecules.cpp (added) * src/molecules.hpp (added) * src/orbitals.db (added) * src/parser.cpp (added) * src/parser.hpp (added) * src/periodentafel.cpp (added) * src/valence.db (added) * src/vector.cpp (added) * src/verbose.cpp (added) -initial commit -Minimum set of files needed from ESPACK SVN ...