source: configure.ac@ 1a6bda

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 1a6bda was 038713, checked in by Frederik Heber <heber@…>, 14 years ago

Added Fragmentations test in the spirit of the Tesselations test.

  • configuration were taken over from Tesselations.
  • defs.in has been adapted to a new function called Fragmentation_run
  • the test files call this function along with order and distance argument.
  • so far we just check that exitcode of molecuilder is 0.
  • all tests are working.
  • Property mode set to 100644
File size: 7.8 KB
Line 
1# -*- Autoconf -*-
2# Process this file with autoconf to produce a configure script.
3
4AC_PREREQ(2.59)
5AC_INIT(MoleCuilder, 1.0.8, [heber@ins.uni-bonn.de], [molecuilder], [http://trac.ins.uni-bonn.de/projects/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([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], [2:0:0])
32AC_SUBST([MOLECUILDER_API_VERSION], [1.0.8])
33
34dnl this macro is used to get the arguments supplied
35dnl to the configure script (./configure --enable-debug)
36dnl Check if we have enable debug support.
37AC_MSG_CHECKING(whether to enable debugging)
38default="no"
39have_debug="no"
40AC_ARG_ENABLE(debug, [ --enable-debug=[no/yes/full] turn on debugging
41 [default=$default]],, enable_debug=$default)
42if test "x$enable_debug" = "xyes"; then
43 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
44 AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
45 have_debug="yes"
46elif test "x$enable_debug" = "xfull"; then
47 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
48 AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
49 AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
50 have_debug="full"
51else
52 AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
53 AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
54 have_debug="no"
55fi
56AC_MSG_RESULT($have_debug)
57AC_SUBST(HAVE_DEBUG)
58
59dnl this macro is used to get the arguments supplied
60dnl to the configure script (./configure --enable-debug)
61dnl Check if we have enable debug support.
62AC_MSG_CHECKING([whether to enable internal caching of values (speedup!)])
63default="yes"
64AC_ARG_ENABLE(cache, [ --enable-cache=[no/yes] turn on caching
65 [default=$default]],, enable_cache=$default)
66if test "x$enable_cache" = "xno"; then
67 AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
68 AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
69 AC_MSG_RESULT(no)
70else
71 AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
72 AC_MSG_RESULT(yes)
73fi
74AC_SUBST(HAVE_CACHE)
75
76#AC_MSG_CHECKING(whether to enable profiling)
77#default="no"
78#AC_ARG_ENABLE(debug, [ --enable-profile=[no/yes] turn on profiling
79# [default=$default]],, enable_profile=$default)
80#if test "x$enable_profile" = "xyes"; then
81# CXXFLAGS="$CXXFLAGS -g -DDEBUG -pg"
82# DEBUG=-pg;
83# AC_MSG_RESULT(yes)
84#else
85# AC_MSG_RESULT(no)
86#fi
87
88#AC_MSG_CHECKING(whether to enable serialization)
89#default="no"
90#AC_ARG_ENABLE(debug, [ --enable-serialization=[no/yes] turn on serialization support
91# [default=$default]],, enable_serialization=$default)
92#if test "x$enable_serialization" = "xyes"; then
93# CXXFLAGS="$CXXFLAGS -DSERIALIZATION"
94# serialization=yes;
95# AC_MSG_RESULT(yes)
96#else
97# serialization=no;
98# AC_MSG_RESULT(no)
99#fi
100
101# Checks for libraries.
102AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
103
104# Boost libraries
105AX_BOOST_BASE([1.40])
106AX_BOOST_PROGRAM_OPTIONS
107AX_BOOST_SYSTEM
108AX_BOOST_FILESYSTEM
109AX_BOOST_THREAD
110#AX_BOOST_SERIALIZATION
111
112#QT4 libraries
113gw_CHECK_QT4
114AX_CHECK_GLU
115#AC_MSG_NOTICE(["GLU_CFLAGS: $GLU_CFLAGS, GLU_CXXFLAGS: $GLU_CXXFLAGS, GLU_LDFLAGS: $GLU_LDFLAGS, GLU_LIBS: $GLU_LIBS"])
116
117# CodePatterns library (needs ManipulablePrototypeFactory pattern)
118AM_PATH_CODEPATTERNS([1.0.7], $have_debug,,[AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])])
119
120# Checks for header files.
121AC_HEADER_STDC
122AC_CHECK_HEADERS([sys/time.h])
123AC_HEADER_STDBOOL
124
125AC_FUNC_MALLOC
126AC_FUNC_REALLOC
127AC_CHECK_FUNCS([floor pow sqrt strchr])
128
129# Checks for typedefs, structures, and compiler characteristics.
130AC_C_CONST
131AC_C_INLINE
132AC_C_RESTRICT
133AC_TYPE_SIZE_T
134
135# Checks for library functions.
136# check for GNU Scientific Library
137AC_CHECK_HEADERS([gsl/gsl_blas.h])
138AC_SEARCH_LIBS(dnrm2, goto blas cblas gslblas gslcblas)
139AC_CHECK_LIB(gsl, main, [],
140 [AC_SEARCH_LIBS(cblas_dnrm2, blas cblas gslblas gslcblas)])
141AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
142
143# add replacement/saturation hydrogen or not
144AC_ARG_ENABLE([hydrogen],AS_HELP_STRING([--enable-hydrogen],[Adding saturation hydrogen (default is yes)]),
145 [enable_hydrogen=$enableval], [enable_hydrogen=yes])
146if test x"$enable_hydrogen" = xyes; then
147 AC_DEFINE(ADDHYDROGEN,1, ["Adding saturation hydrogen"])
148 AC_SUBST(ADDHYDROGEN)
149fi
150
151# use CppUnit TestRunner or not
152AC_ARG_ENABLE([ecut],AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient (default is no)]),
153 [enable_ecut=$enableval], [enable_ecut=no])
154if test x"$enable_ecut" = xyes; then
155 AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
156 AC_SUBST(HAVE_ECUT)
157fi
158
159# with valgrinding testsuite or not
160AC_ARG_WITH([valgrind],AS_HELP_STRING([--with-valgrind],[Use Valgrind on the testsuite (default is no)]),
161 [with_valgrind=$withval], [with_valgrind=no])
162if test x"$with_valgrind" = xyes; then
163 AC_CHECK_HEADER([valgrind/valgrind.h],
164 [
165 # check header
166 AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
167 # check path
168 AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
169 # set variables
170 AC_SUBST(HAVE_VALGRIND_TESTSUITE)
171 AC_SUBST(VALGRIND)
172 ],
173 [
174 AC_MSG_ERROR(["Valgrind support requested but headers not available."])
175 ]
176 )
177fi
178
179# Check for "extern inline", using a modified version
180# of the test for AC_C_INLINE from acspecific.mt
181AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
182[ac_cv_c_extern_inline=no
183AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
184extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
185double foo (double x) { return x + 1.0; };],
186[ foo(1.0) ],
187[ac_cv_c_extern_inline="yes"])
188])
189
190if test "$ac_cv_c_inline" != no ; then
191 AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
192 AC_SUBST(HAVE_INLINE)
193fi
194
195#AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
196
197# test suite
198AC_CONFIG_TESTDIR(tests/regression)
199AC_CONFIG_FILES([
200 tests/Makefile
201 tests/regression/atlocal
202 tests/regression/Makefile])
203AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
204AC_CONFIG_FILES([
205 tests/CodeChecks/atlocal
206 tests/CodeChecks/Makefile])
207AC_CONFIG_FILES([
208 tests/Fragmentations/Makefile
209 tests/Fragmentations/defs])
210AC_CONFIG_FILES([
211 tests/Tesselations/Makefile
212 tests/Tesselations/defs])
213AC_CONFIG_FILES([
214 doc/molecuilder.xml])
215AC_CONFIG_FILES([
216 MoleCuilder.pc:MoleCuilder.pc.in])
217AC_CONFIG_FILES([
218 Makefile
219 doc/Makefile
220 src/Makefile
221 src/Actions/Makefile
222 src/Exceptions/Makefile
223 src/LinearAlgebra/Makefile
224 src/Parser/Makefile
225 src/RandomNumbers/Makefile
226 src/Shapes/Makefile
227 src/UIElements/Makefile
228])
229AC_CONFIG_FILES([
230 src/unittests/Makefile
231 src/Actions/unittests/Makefile
232 src/Descriptors/unittests/Makefile
233 src/LinearAlgebra/unittests/Makefile
234 src/Parser/unittests/Makefile
235 src/RandomNumbers/unittests/Makefile
236 src/Shapes/unittests/Makefile
237 src/UIElements/Menu/unittests/Makefile
238])
239AC_OUTPUT
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