source: configure.ac@ 0ca39c

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 0ca39c was 0ca39c, checked in by Frederik Heber <heber@…>, 17 years ago

Complete test kit (make check) for the three parts: pcp, molecuilder, utilites is incorporated via autotest

In directory tests of each subdir there are the following files:

  • atlocal.in: sets some variables such as prefix and others via automake and configure for the tests
  • Makefile.am: Hooks for the checks and automatic generation of package.m4
  • <exe>.in: Wrapper for the executable, for correct paths and so on
  • testsuite.at: the actual tests in a similar grammar to autoconf
  • Property mode set to 100644
File size: 3.0 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, heber@ins.uni-bonn.de, molecuilder)
6AC_CONFIG_AUX_DIR(config)
7AC_CONFIG_SRCDIR([src/builder.cpp])
8AC_CONFIG_HEADER([config.h])
9
10AM_INIT_AUTOMAKE(dist-bzip2)
11
12# Checks for programs.
13AC_PROG_CXX
14AC_PROG_CC
15AM_MISSING_PROG([DOXYGEN], [doxygen])
16
17
18# Checks for libraries.
19AC_CHECK_LIB(m, sqrt, ,AC_MSG_ERROR([compatible libc math library not found]))
20
21# Checks for header files.
22AC_HEADER_STDC
23AC_CHECK_HEADERS([sys/time.h])
24AC_HEADER_STDBOOL
25
26AC_FUNC_MALLOC
27AC_FUNC_REALLOC
28AC_CHECK_FUNCS([floor pow sqrt strchr])
29
30# Checks for typedefs, structures, and compiler characteristics.
31AC_C_CONST
32AC_C_INLINE
33AC_C_RESTRICT
34AC_TYPE_SIZE_T
35
36# Checks for library functions.
37# check for GNU Scientific Library
38AC_CHECK_LIB(m,main)
39AC_CHECK_LIB(blas,main)
40AC_CHECK_LIB(gsl,main)
41
42# debugging info
43AC_ARG_ENABLE([debug],AS_HELP_STRING([--enable-debug],[Output debugging information, argument is yes or debugging level (default is no).]),
44 [enable_debug=$enableval], [enable_debug=no])
45if ! test x"$enable_debug" = xno; then
46 if test x"${enable_debug}" = xyes; then
47 CFLAGS="-g3"
48 CXXFLAGS="-g3"
49 else
50 CFLAGS="-g${enable_debug}"
51 CXXFLAGS="-g${enable_debug}"
52 fi
53 AC_DEFINE(HAVE_DEBUG,1, ["Output debugging info"])
54 AC_SUBST(HAVE_DEBUG)
55fi
56
57# optimization level
58AC_ARG_ENABLE([optimization],AS_HELP_STRING([--enable-optimization],[Optimization level of compiler. Argument is yes or debugging level. (default is 2)]),
59 [enable_optimization=$enableval], [enable_optimization=yes])
60if test ! x"$enable_optimization" = xno; then
61 if test x"$enable_debug" = xno; then
62 if test x"${enable_optimization}" = xyes; then
63 CFLAGS="-O2"
64 CXXFLAGS="-O2"
65 else
66 CFLAGS="-O${enable_optimization}"
67 CXXFLAGS="-O${enable_optimization}"
68 fi
69# else
70# AC_MSG_WARN(["Already specified --enable-debug!"])
71 fi
72fi
73
74# add replacement/saturation hydrogen or not
75AC_ARG_ENABLE([hydrogen],AS_HELP_STRING([--enable-hydrogen],[Adding saturation hydrogen (default is yes)]),
76 [enable_hydrogen=$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# Check for "extern inline", using a modified version
83# of the test for AC_C_INLINE from acspecific.mt
84AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
85[ac_cv_c_extern_inline=no
86AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
87extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
88double foo (double x) { return x + 1.0; };],
89[ foo(1.0) ],
90[ac_cv_c_extern_inline="yes"])
91])
92
93if test "$ac_cv_c_inline" != no ; then
94 AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
95 AC_SUBST(HAVE_INLINE)
96fi
97
98# test suite
99AC_CONFIG_TESTDIR(tests)
100AC_CONFIG_FILES([tests/atlocal tests/Makefile])
101AC_CONFIG_FILES([tests/molecuilder], [chmod +x tests/molecuilder])
102
103AC_CONFIG_FILES([Makefile src/Makefile doc/Makefile])
104AC_OUTPUT
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