source: configure.ac@ 95078c

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 95078c was 95078c, checked in by Frederik Heber <heber@…>, 17 years ago

AM_CFLAGS thrown out as warnings are added to CFLAGS in configure-part. Huge changes to make mpi working with given environment variables MPICC and MPILIBS

  • Property mode set to 100644
File size: 3.7 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(blas,main)
39AC_CHECK_LIB(gsl,main)
40
41# debugging info
42AC_ARG_ENABLE([debug],AS_HELP_STRING([--enable-debug],[Output debugging information, argument is yes or debugging level (default is no).]),
43 [enable_debug=$enableval], [enable_debug=no])
44if ! test x"$enable_debug" = xno; then
45 if test x"${enable_debug}" = xyes; then
46 CFLAGS="$CFLAGS -g3"
47 CXXFLAGS="$CXXFLAGS -g3"
48 else
49 CFLAGS="$CFLAGS -g${enable_debug}"
50 CXXFLAGS="$CXXFLAGS -g${enable_debug}"
51 fi
52 dnl enable all warnings
53 CFLAGS="$CFLAGS -Wall -W -Wstrict-prototypes -Wmissing-prototypes -Wold-style-definition -Wshadow -Wpointer-arith -Wcast-align -Wcast-qual -Wwrite-strings -Wredundant-decls -Wnested-externs -Wmissing-noreturn -Wformat-security -Wmissing-format-attribute -Winit-self"
54 CXXFLAGS="$CXXFLAGS -Wall -W -Wshadow -Wpointer-arith -Wcast-align -Wcast-qual -Wwrite-strings -Wredundant-decls -Wmissing-noreturn -Wformat-security -Wmissing-format-attribute -Winit-self"
55 AC_DEFINE(HAVE_DEBUG,1, ["Output debugging info"])
56 AC_SUBST(HAVE_DEBUG)
57else
58 dnl even without debugging we want some minimal info of something's utterly wrong
59 CFLAGS="$CFLAGS -Wall"
60 CXXFLAGS="$CXXFLAGS -Wall"
61fi
62
63# optimization level
64AC_ARG_ENABLE([optimization],AS_HELP_STRING([--enable-optimization],[Optimization level of compiler. Argument is yes or debugging level. (default is 2)]),
65 [enable_optimization=$enableval], [enable_optimization=yes])
66if test ! x"$enable_optimization" = xno; then
67 if test x"$enable_debug" = xno; then
68 if test x"${enable_optimization}" = xyes; then
69 CFLAGS="$CFLAGS -O2"
70 CXXFLAGS="$CXXFLAGS -O2"
71 else
72 CFLAGS="$CFLAGS -O${enable_optimization}"
73 CXXFLAGS="$CXXFLAGS -O${enable_optimization}"
74 fi
75# else
76# AC_MSG_WARN(["Already specified --enable-debug!"])
77 fi
78fi
79
80# add replacement/saturation hydrogen or not
81AC_ARG_ENABLE([hydrogen],AS_HELP_STRING([--enable-hydrogen],[Adding saturation hydrogen (default is yes)]),
82 [enable_hydrogen=$enableval], [enable_hydrogen=yes])
83if test x"$enable_hydrogen" = xyes; then
84 AC_DEFINE(ADDHYDROGEN,1, ["Adding saturation hydrogen"])
85 AC_SUBST(ADDHYDROGEN)
86fi
87
88# Check for "extern inline", using a modified version
89# of the test for AC_C_INLINE from acspecific.mt
90AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
91[ac_cv_c_extern_inline=no
92AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
93extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
94double foo (double x) { return x + 1.0; };],
95[ foo(1.0) ],
96[ac_cv_c_extern_inline="yes"])
97])
98
99if test "$ac_cv_c_inline" != no ; then
100 AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
101 AC_SUBST(HAVE_INLINE)
102fi
103
104# test suite
105AC_CONFIG_TESTDIR(tests)
106AC_CONFIG_FILES([tests/atlocal tests/Makefile])
107AC_CONFIG_FILES([tests/molecuilder], [chmod +x tests/molecuilder])
108
109AC_CONFIG_FILES([Makefile src/Makefile doc/Makefile])
110AC_OUTPUT
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