source: configure.ac@ 38f991

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 38f991 was 7188b1, checked in by Frederik Heber <heber@…>, 13 years ago

Introduced atom_observables and GLWorldView observes World, GLMoleculeObject_atom observes its atom.

Observer changes:

  • new Channels pattern required from CodePatterns 1.1.5 and that Observable signing on and off is now with const instance possible.
  • class atom is now observable, encapsulated in class AtomObservable:
    • enums have notification types
    • we use NotificationChannels of Observable to emit these distinct types.
  • atominfo, particleinfo, bondedparticleinfo all have OBSERVE and NOTIFY(..) in their setter functions (thx encapsulation).
  • class GLMoleculeObject_atom signs on to atom to changes to position, element, and index.
  • World equally has notifications for atom (new,remove) and molecules (new, remove).
  • GLWorldView now observes World for these changes.

Other changes:

  • removed additional hierarchy level for GLWidget of molecules (i.e. GLMoleculeScene removed and incorporated into GLWorldScene).
  • Property mode set to 100644
File size: 8.0 KB
RevLine 
[14de469]1# -*- Autoconf -*-
2# Process this file with autoconf to produce a configure script.
3
4AC_PREREQ(2.59)
[c4cde1]5AC_INIT(MoleCuilder, 1.1.3, [heber@ins.uni-bonn.de], [molecuilder], [http://trac.ins.uni-bonn.de/projects/molecuilder/])
[bf4b9f]6AC_CONFIG_AUX_DIR([build-aux])
[14de469]7AC_CONFIG_SRCDIR([src/builder.cpp])
[861874]8AC_CONFIG_HEADER([config.h libmolecuilder_config.h])
9AC_CONFIG_MACRO_DIR([m4])
[bf4b9f]10AC_CONFIG_SUBDIRS([LinearAlgebra])
[14de469]11
[dc322a]12# parallel-tests: use parallel test druver
13# color-tests: us coloring to indicate success/failure when available
14# tar-pax: use newer tar implementation with longer filename (>99 chars)
[4cf35ac]15AM_INIT_AUTOMAKE([dist-bzip2 1.5 parallel-tests color-tests tar-pax])
[14de469]16
17# Checks for programs.
[54a746]18AM_PATH_CPPUNIT(1.9.6)
[14de469]19AC_PROG_CXX
20AC_PROG_CC
[54a746]21AC_PROG_INSTALL
[14de469]22
[ec188c]23# use doxygen
24DX_HTML_FEATURE(ON)
25DX_PS_FEATURE(OFF)
26DX_PDF_FEATURE(OFF)
27DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, $(docdir))
28
29# use libtool
[a0064e]30LT_INIT([static])
[861874]31
32# Define these substitions here to keep all version information in one place.
33# For information on how to properly maintain the library version information,
34# refer to the libtool manual, section "Updating library version information":
35# http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
[b404da]36AC_SUBST([MOLECUILDER_SO_VERSION], [4:0:0])
[c4cde1]37AC_SUBST([MOLECUILDER_API_VERSION], [1.1.3])
[861874]38
[06aedc]39# for libLinearAlgebra
40AC_SUBST([LINEARALGEBRA_SO_VERSION], [1:0:0])
41
[dc031c]42dnl this macro is used to get the arguments supplied
43dnl to the configure script (./configure --enable-debug)
44dnl Check if we have enable debug support.
45AC_MSG_CHECKING(whether to enable debugging)
46default="no"
47have_debug="no"
48AC_ARG_ENABLE(debug, [ --enable-debug=[no/yes/full] turn on debugging
49 [default=$default]],, enable_debug=$default)
50if test "x$enable_debug" = "xyes"; then
51 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
52 AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
53 have_debug="yes"
54elif test "x$enable_debug" = "xfull"; then
55 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
56 AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
57 AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
[060ba4]58 AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
[dc031c]59 have_debug="full"
60else
61 AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
62 AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
[060ba4]63 AC_DEFINE(QT_NO_DEBUG,, ["Disable Qt debug messages."])
[dc031c]64 have_debug="no"
65fi
66AC_MSG_RESULT($have_debug)
67AC_SUBST(HAVE_DEBUG)
68
69dnl this macro is used to get the arguments supplied
70dnl to the configure script (./configure --enable-debug)
71dnl Check if we have enable debug support.
72AC_MSG_CHECKING([whether to enable internal caching of values (speedup!)])
73default="yes"
74AC_ARG_ENABLE(cache, [ --enable-cache=[no/yes] turn on caching
75 [default=$default]],, enable_cache=$default)
76if test "x$enable_cache" = "xno"; then
77 AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
78 AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
79 AC_MSG_RESULT(no)
80else
81 AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
82 AC_MSG_RESULT(yes)
83fi
84AC_SUBST(HAVE_CACHE)
85
86#AC_MSG_CHECKING(whether to enable profiling)
87#default="no"
88#AC_ARG_ENABLE(debug, [ --enable-profile=[no/yes] turn on profiling
89# [default=$default]],, enable_profile=$default)
90#if test "x$enable_profile" = "xyes"; then
91# CXXFLAGS="$CXXFLAGS -g -DDEBUG -pg"
92# DEBUG=-pg;
93# AC_MSG_RESULT(yes)
94#else
95# AC_MSG_RESULT(no)
96#fi
97
98#AC_MSG_CHECKING(whether to enable serialization)
99#default="no"
100#AC_ARG_ENABLE(debug, [ --enable-serialization=[no/yes] turn on serialization support
101# [default=$default]],, enable_serialization=$default)
102#if test "x$enable_serialization" = "xyes"; then
103# CXXFLAGS="$CXXFLAGS -DSERIALIZATION"
104# serialization=yes;
105# AC_MSG_RESULT(yes)
106#else
107# serialization=no;
108# AC_MSG_RESULT(no)
109#fi
110
[14de469]111# Checks for libraries.
[861874]112AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
[14de469]113
[fa861b]114# Boost libraries
[79de12]115BOOST_REQUIRE([1.40])
116BOOST_EXCEPTION
117BOOST_FILESYSTEM
118BOOST_PROGRAM_OPTIONS
119BOOST_RANDOM
120BOOST_THREADS
[fa861b]121
[3027f8]122#QT4 libraries
[060ba4]123BNV_HAVE_QT
124#gw_CHECK_QT4
125#AX_CHECK_GLU
[dc031c]126#AC_MSG_NOTICE(["GLU_CFLAGS: $GLU_CFLAGS, GLU_CXXFLAGS: $GLU_CXXFLAGS, GLU_LDFLAGS: $GLU_LDFLAGS, GLU_LIBS: $GLU_LIBS"])
[cef1d7]127
[7188b1]128# CodePatterns library (needs Observer::Channels )
129AM_PATH_CODEPATTERNS([1.1.5], $have_debug,,[AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])])
[3027f8]130
[14de469]131# Checks for header files.
132AC_HEADER_STDC
133AC_CHECK_HEADERS([sys/time.h])
134AC_HEADER_STDBOOL
135
[d3a46d]136AC_FUNC_MALLOC
137AC_FUNC_REALLOC
138AC_CHECK_FUNCS([floor pow sqrt strchr])
139
[14de469]140# Checks for typedefs, structures, and compiler characteristics.
141AC_C_CONST
142AC_C_INLINE
143AC_C_RESTRICT
144AC_TYPE_SIZE_T
145
146# Checks for library functions.
147# check for GNU Scientific Library
[bd3e55]148AC_CHECK_HEADERS([gsl/gsl_blas.h])
149AC_SEARCH_LIBS(dnrm2, goto blas cblas gslblas gslcblas)
150AC_CHECK_LIB(gsl, main, [],
151 [AC_SEARCH_LIBS(cblas_dnrm2, blas cblas gslblas gslcblas)])
152AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
[14de469]153
154# add replacement/saturation hydrogen or not
155AC_ARG_ENABLE([hydrogen],AS_HELP_STRING([--enable-hydrogen],[Adding saturation hydrogen (default is yes)]),
156 [enable_hydrogen=$enableval], [enable_hydrogen=yes])
157if test x"$enable_hydrogen" = xyes; then
158 AC_DEFINE(ADDHYDROGEN,1, ["Adding saturation hydrogen"])
159 AC_SUBST(ADDHYDROGEN)
160fi
161
[490038]162# use CppUnit TestRunner or not
[6ac15b]163AC_ARG_ENABLE([ecut],AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient (default is no)]),
164 [enable_ecut=$enableval], [enable_ecut=no])
[9b6b2f]165if test x"$enable_ecut" = xyes; then
166 AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
167 AC_SUBST(HAVE_ECUT)
168fi
169
[490038]170# with valgrinding testsuite or not
171AC_ARG_WITH([valgrind],AS_HELP_STRING([--with-valgrind],[Use Valgrind on the testsuite (default is no)]),
172 [with_valgrind=$withval], [with_valgrind=no])
173if test x"$with_valgrind" = xyes; then
174 AC_CHECK_HEADER([valgrind/valgrind.h],
175 [
176 # check header
177 AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
178 # check path
179 AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
180 # set variables
181 AC_SUBST(HAVE_VALGRIND_TESTSUITE)
182 AC_SUBST(VALGRIND)
183 ],
184 [
185 AC_MSG_ERROR(["Valgrind support requested but headers not available."])
186 ]
187 )
188fi
189
[14de469]190# Check for "extern inline", using a modified version
191# of the test for AC_C_INLINE from acspecific.mt
192AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
193[ac_cv_c_extern_inline=no
194AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
195extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
196double foo (double x) { return x + 1.0; };],
197[ foo(1.0) ],
198[ac_cv_c_extern_inline="yes"])
199])
200
201if test "$ac_cv_c_inline" != no ; then
202 AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
203 AC_SUBST(HAVE_INLINE)
204fi
205
[bd3e55]206#AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
[a19da5d]207
[0ca39c]208# test suite
[5079a0]209AC_CONFIG_FILES([
[689639]210 tests/Makefile])
211
212AC_CONFIG_TESTDIR(tests/CodeChecks)
[d0a719]213AC_CONFIG_FILES([
214 tests/CodeChecks/atlocal
215 tests/CodeChecks/Makefile])
[689639]216
[740d40]217AC_CONFIG_TESTDIR(tests/Fragmentations)
[038713]218AC_CONFIG_FILES([
[740d40]219 tests/Fragmentations/atlocal
220 tests/Fragmentations/Makefile])
221AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
[689639]222
223AC_CONFIG_TESTDIR(tests/regression)
224AC_CONFIG_FILES([
225 tests/regression/atlocal
226 tests/regression/Makefile])
227AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
228
229AC_CONFIG_TESTDIR(tests/Tesselations)
[5079a0]230AC_CONFIG_FILES([
[a85f45]231 tests/Tesselations/atlocal
232 tests/Tesselations/Makefile])
233AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
[689639]234
[5079a0]235AC_CONFIG_FILES([
236 doc/molecuilder.xml])
[861874]237AC_CONFIG_FILES([
[acbe1b]238 MoleCuilder.pc:MoleCuilder.pc.in])
[5079a0]239AC_CONFIG_FILES([
240 Makefile
[ec188c]241 doc/Makefile
[5079a0]242 src/Makefile
[85949a]243])
244AC_CONFIG_FILES([
[455573]245 src/unittests/Makefile
[85949a]246])
[14de469]247AC_OUTPUT
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