source: configure.ac@ 14de469

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 14de469 was 14de469, checked in by Frederik Heber <heber@…>, 17 years ago

-initial commit
-Minimum set of files needed from ESPACK SVN repository
-Switch to three tantamount package parts instead of all relating to pcp (as at some time Ralf's might find inclusion as well)

  • Property mode set to 100644
File size: 2.1 KB
RevLine 
[14de469]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
18AC_FUNC_MALLOC
19AC_FUNC_REALLOC
20AC_CHECK_FUNCS([floor pow sqrt strchr])
21
22# Checks for libraries.
23AC_CHECK_LIB(m, sqrt, ,AC_MSG_ERROR([compatible libc math library not found]))
24
25# Checks for header files.
26AC_HEADER_STDC
27AC_CHECK_HEADERS([sys/time.h])
28AC_HEADER_STDBOOL
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(gslcblas,main)
40AC_CHECK_LIB(gsl,main)
41
42# debugging info
43AC_ARG_ENABLE([debug],AS_HELP_STRING([--enable-debug],[Output debugging information (default is no)]),
44 [enable_debug=$enableval], [enable_debug=maybe])
45if test x"$enable_debug" = xyes; then
46 AC_DEFINE(HAVE_DEBUG,1, ["Output debugging info"])
47 AC_SUBST(HAVE_DEBUG)
48fi
49
50# add replacement/saturation hydrogen or not
51AC_ARG_ENABLE([hydrogen],AS_HELP_STRING([--enable-hydrogen],[Adding saturation hydrogen (default is yes)]),
52 [enable_hydrogen=$enableval], [enable_hydrogen=yes])
53if test x"$enable_hydrogen" = xyes; then
54 AC_DEFINE(ADDHYDROGEN,1, ["Adding saturation hydrogen"])
55 AC_SUBST(ADDHYDROGEN)
56fi
57
58# Check for "extern inline", using a modified version
59# of the test for AC_C_INLINE from acspecific.mt
60AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
61[ac_cv_c_extern_inline=no
62AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
63extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
64double foo (double x) { return x + 1.0; };],
65[ foo(1.0) ],
66[ac_cv_c_extern_inline="yes"])
67])
68
69if test "$ac_cv_c_inline" != no ; then
70 AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
71 AC_SUBST(HAVE_INLINE)
72fi
73
74AC_CONFIG_FILES([Makefile src/Makefile doc/Makefile])
75AC_OUTPUT
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