source: configure.ac@ 231b5e

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 231b5e was 490038, checked in by Frederik Heber <heber@…>, 14 years ago

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"
  • Property mode set to 100644
File size: 4.8 KB
Line 
1# -*- Autoconf -*-
2# Process this file with autoconf to produce a configure script.
3
4AC_PREREQ(2.59)
5AC_INIT(MoleCuilder, 1.0.0, heber@ins.uni-bonn.de, molecuilder)
6AC_CONFIG_AUX_DIR(config)
7AC_CONFIG_SRCDIR([src/builder.cpp])
8AC_CONFIG_HEADER([config.h libmolecuilder_config.h])
9AC_CONFIG_MACRO_DIR([m4])
10
11AM_INIT_AUTOMAKE([dist-bzip2 1.11 parallel-tests color-tests])
12
13# Checks for programs.
14AM_PATH_CPPUNIT(1.9.6)
15AC_PROG_CXX
16AC_PROG_CC
17AC_PROG_INSTALL
18AC_CHECK_PROG([LATEX],[latex],[latex],[:])
19AC_CHECK_PROG([BIBTEX],[bibtex],[bibtex],[:])
20AC_CHECK_PROG([DVIPS],[dvips],[dvips],[:])
21AC_CHECK_PROG([PDFLATEX],[pdflatex],[pdflatex],[:])
22AC_CHECK_PROG([XMLTO],[xmlto],[xmlto],[:])
23AM_MISSING_PROG([DOXYGEN], [doxygen])
24
25LT_INIT([disable-static])
26
27# Define these substitions here to keep all version information in one place.
28# For information on how to properly maintain the library version information,
29# refer to the libtool manual, section "Updating library version information":
30# http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
31AC_SUBST([MOLECUILDER_SO_VERSION], [1:2:0])
32AC_SUBST([MOLECUILDER_API_VERSION], [1.0])
33
34# Checks for libraries.
35AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
36
37# Boost libraries
38AX_BOOST_BASE([1.40])
39AX_BOOST_PROGRAM_OPTIONS
40#AX_BOOST_FOREACH
41#AX_BOOST_FILESYSTEM
42AX_BOOST_THREAD
43#AX_BOOST_SERIALIZATION
44
45#QT4 libraries
46gw_CHECK_QT4
47AX_CHECK_GLU
48AC_MSG_NOTICE(["GLU_CFLAGS: $GLU_CFLAGS, GLU_CXXFLAGS: $GLU_CXXFLAGS, GLU_LDFLAGS: $GLU_LDFLAGS, GLU_LIBS: $GLU_LIBS"])
49
50
51# Checks for header files.
52AC_HEADER_STDC
53AC_CHECK_HEADERS([sys/time.h])
54AC_HEADER_STDBOOL
55
56AC_FUNC_MALLOC
57AC_FUNC_REALLOC
58AC_CHECK_FUNCS([floor pow sqrt strchr])
59
60# Checks for typedefs, structures, and compiler characteristics.
61AC_C_CONST
62AC_C_INLINE
63AC_C_RESTRICT
64AC_TYPE_SIZE_T
65
66# Checks for library functions.
67# check for GNU Scientific Library
68AC_CHECK_HEADERS([gsl/gsl_blas.h])
69AC_SEARCH_LIBS(dnrm2, goto blas cblas gslblas gslcblas)
70AC_CHECK_LIB(gsl, main, [],
71 [AC_SEARCH_LIBS(cblas_dnrm2, blas cblas gslblas gslcblas)])
72AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
73
74# add replacement/saturation hydrogen or not
75AC_ARG_ENABLE([hydrogen],AS_HELP_STRING([--enable-hydrogen],[Adding saturation hydrogen (default is yes)]),
76 [enable_hydrogen=$enableval], [enable_hydrogen=yes])
77if test x"$enable_hydrogen" = xyes; then
78 AC_DEFINE(ADDHYDROGEN,1, ["Adding saturation hydrogen"])
79 AC_SUBST(ADDHYDROGEN)
80fi
81
82# use CppUnit TestRunner or not
83AC_ARG_ENABLE([ecut],AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient (default is no)]),
84 [enable_ecut=$enableval], [enable_ecut=no])
85if test x"$enable_ecut" = xyes; then
86 AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
87 AC_SUBST(HAVE_ECUT)
88fi
89
90# with valgrinding testsuite or not
91AC_ARG_WITH([valgrind],AS_HELP_STRING([--with-valgrind],[Use Valgrind on the testsuite (default is no)]),
92 [with_valgrind=$withval], [with_valgrind=no])
93if test x"$with_valgrind" = xyes; then
94 AC_CHECK_HEADER([valgrind/valgrind.h],
95 [
96 # check header
97 AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
98 # check path
99 AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
100 # set variables
101 AC_SUBST(HAVE_VALGRIND_TESTSUITE)
102 AC_SUBST(VALGRIND)
103 ],
104 [
105 AC_MSG_ERROR(["Valgrind support requested but headers not available."])
106 ]
107 )
108fi
109
110# Check for "extern inline", using a modified version
111# of the test for AC_C_INLINE from acspecific.mt
112AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
113[ac_cv_c_extern_inline=no
114AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
115extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
116double foo (double x) { return x + 1.0; };],
117[ foo(1.0) ],
118[ac_cv_c_extern_inline="yes"])
119])
120
121if test "$ac_cv_c_inline" != no ; then
122 AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
123 AC_SUBST(HAVE_INLINE)
124fi
125
126#AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
127
128# test suite
129AC_CONFIG_TESTDIR(tests/regression)
130AC_CONFIG_FILES([
131 tests/Makefile
132 tests/regression/atlocal
133 tests/regression/Makefile])
134AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
135AC_CONFIG_FILES([
136 tests/Tesselations/Makefile
137 tests/Tesselations/defs])
138AC_CONFIG_FILES([
139 doc/molecuilder.xml])
140AC_CONFIG_FILES([
141 molecuilder-${MOLECUILDER_API_VERSION}.pc:molecuilder.pc.in])
142AC_CONFIG_FILES([
143 Makefile
144 doc/Makefile
145 src/Makefile
146 src/Actions/Makefile
147 src/Exceptions/Makefile
148 src/Helpers/Makefile
149 src/LinearAlgebra/Makefile
150 src/Parser/Makefile
151 src/UIElements/Makefile
152 src/unittests/Makefile])
153AC_OUTPUT
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