source: configure.ac@ 81a9bc

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 81a9bc was 952f38, checked in by Frederik Heber <heber@…>, 14 years ago

created LibMolecuilderHelpers.

  • is shared
  • renamed log.[ch]pp -> Log.[ch]pp
  • renamed verbose.[ch]pp -> Verbose.[ch]pp
  • renamed info.[ch]pp -> Info.[ch]pp
  • contains: Assert, MemDebug, Log, logger, errorlogger, Verbose, Info
  • had to change includes practically everywhere.
  • Property mode set to 100644
File size: 4.2 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])
[861874]8AC_CONFIG_HEADER([config.h libmolecuilder_config.h])
9AC_CONFIG_MACRO_DIR([m4])
[14de469]10
[c644a5]11AM_INIT_AUTOMAKE(dist-bzip2 parallel-tests)
[14de469]12
13# Checks for programs.
[54a746]14AM_PATH_CPPUNIT(1.9.6)
[14de469]15AC_PROG_CXX
16AC_PROG_CC
[861874]17# obselete by LT_INIT
18#AC_PROG_RANLIB
[54a746]19AC_PROG_INSTALL
[570125]20AC_CHECK_PROG([LATEX],[latex],[latex],[:])
21AC_CHECK_PROG([BIBTEX],[bibtex],[bibtex],[:])
22AC_CHECK_PROG([DVIPS],[dvips],[dvips],[:])
23AC_CHECK_PROG([PDFLATEX],[pdflatex],[pdflatex],[:])
24AC_CHECK_PROG([XMLTO],[xmlto],[xmlto],[:])
[14de469]25AM_MISSING_PROG([DOXYGEN], [doxygen])
26
[861874]27LT_INIT([disable-static])
28
29# Define these substitions here to keep all version information in one place.
30# For information on how to properly maintain the library version information,
31# refer to the libtool manual, section "Updating library version information":
32# http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
33AC_SUBST([MOLECUILDER_SO_VERSION], [1:2:0])
34AC_SUBST([MOLECUILDER_API_VERSION], [1.0])
35
[14de469]36# Checks for libraries.
[861874]37AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
[14de469]38
[fa861b]39# Boost libraries
[19c0e3]40AX_BOOST_BASE([1.40])
[c6efc1]41AX_BOOST_PROGRAM_OPTIONS
[fa861b]42#AX_BOOST_FOREACH
43#AX_BOOST_FILESYSTEM
[4d9c01]44AX_BOOST_THREAD
[fa861b]45#AX_BOOST_SERIALIZATION
46
[3027f8]47#QT4 libraries
48gw_CHECK_QT4
[cef1d7]49AX_CHECK_GLU
50AC_MSG_NOTICE(["GLU_CFLAGS: $GLU_CFLAGS, GLU_CXXFLAGS: $GLU_CXXFLAGS, GLU_LDFLAGS: $GLU_LDFLAGS, GLU_LIBS: $GLU_LIBS"])
51
[3027f8]52
[14de469]53# Checks for header files.
54AC_HEADER_STDC
55AC_CHECK_HEADERS([sys/time.h])
56AC_HEADER_STDBOOL
57
[d3a46d]58AC_FUNC_MALLOC
59AC_FUNC_REALLOC
60AC_CHECK_FUNCS([floor pow sqrt strchr])
61
[14de469]62# Checks for typedefs, structures, and compiler characteristics.
63AC_C_CONST
64AC_C_INLINE
65AC_C_RESTRICT
66AC_TYPE_SIZE_T
67
68# Checks for library functions.
69# check for GNU Scientific Library
[bd3e55]70AC_CHECK_HEADERS([gsl/gsl_blas.h])
71AC_SEARCH_LIBS(dnrm2, goto blas cblas gslblas gslcblas)
72AC_CHECK_LIB(gsl, main, [],
73 [AC_SEARCH_LIBS(cblas_dnrm2, blas cblas gslblas gslcblas)])
74AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
[14de469]75
76# add replacement/saturation hydrogen or not
77AC_ARG_ENABLE([hydrogen],AS_HELP_STRING([--enable-hydrogen],[Adding saturation hydrogen (default is yes)]),
78 [enable_hydrogen=$enableval], [enable_hydrogen=yes])
79if test x"$enable_hydrogen" = xyes; then
80 AC_DEFINE(ADDHYDROGEN,1, ["Adding saturation hydrogen"])
81 AC_SUBST(ADDHYDROGEN)
82fi
83
[9b6b2f]84# add replacement/saturation hydrogen or not
[6ac15b]85AC_ARG_ENABLE([ecut],AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient (default is no)]),
86 [enable_ecut=$enableval], [enable_ecut=no])
[9b6b2f]87if test x"$enable_ecut" = xyes; then
88 AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
89 AC_SUBST(HAVE_ECUT)
90fi
91
[14de469]92# Check for "extern inline", using a modified version
93# of the test for AC_C_INLINE from acspecific.mt
94AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
95[ac_cv_c_extern_inline=no
96AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
97extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
98double foo (double x) { return x + 1.0; };],
99[ foo(1.0) ],
100[ac_cv_c_extern_inline="yes"])
101])
102
103if test "$ac_cv_c_inline" != no ; then
104 AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
105 AC_SUBST(HAVE_INLINE)
106fi
107
[bd3e55]108#AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
[a19da5d]109
[0ca39c]110# test suite
[b2b47f]111AC_CONFIG_TESTDIR(tests/regression)
[5079a0]112AC_CONFIG_FILES([
[b2b47f]113 tests/Makefile
114 tests/regression/atlocal
115 tests/regression/Makefile])
116AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
[5079a0]117AC_CONFIG_FILES([
118 tests/Tesselations/Makefile
119 tests/Tesselations/defs])
120AC_CONFIG_FILES([
121 doc/molecuilder.xml])
[861874]122AC_CONFIG_FILES([
123 molecuilder-${MOLECUILDER_API_VERSION}.pc:molecuilder.pc.in])
[5079a0]124AC_CONFIG_FILES([
125 Makefile
126 doc/Makefile
127 src/Makefile
128 src/Actions/Makefile
[f4b5b7]129 src/Exceptions/Makefile
[952f38]130 src/Helpers/Makefile
[57f243]131 src/LinearAlgebra/Makefile
[861874]132 src/Parser/Makefile
[5079a0]133 src/UIElements/Makefile
134 src/unittests/Makefile])
[14de469]135AC_OUTPUT
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