source: configure.ac@ dcbb5d

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 dcbb5d was dbe3b9, checked in by Frederik Heber <heber@…>, 12 years ago

Set version to 1.3.2.

  • Molecuilder library is now 10:2:0.
  • Codename "Amtsanmassung" (Paragraph 132 of the german Strafgesetzbuch is about assumption of authority)
  • Property mode set to 100644
File size: 10.4 KB
Line 
1# -*- Autoconf -*-
2# Process this file with autoconf to produce a configure script.
3
4AC_PREREQ(2.59)
5AC_INIT(MoleCuilder, 1.3.2, [heber@ins.uni-bonn.de], [molecuilder], [http://trac.ins.uni-bonn.de/projects/molecuilder/])
6AC_CONFIG_AUX_DIR([build-aux])
7AC_CONFIG_SRCDIR([src/builder.cpp])
8AC_CONFIG_HEADER([config.h libmolecuilder_config.h])
9AC_CONFIG_MACRO_DIR([m4])
10AC_CONFIG_SUBDIRS([LinearAlgebra])
11
12# parallel-tests: use parallel test druver
13# color-tests: us coloring to indicate success/failure when available
14# tar-pax: use newer tar implementation with longer filename (>99 chars)
15AM_INIT_AUTOMAKE([dist-bzip2 1.5 parallel-tests color-tests tar-pax])
16
17# Checks for programs.
18AM_PATH_CPPUNIT(1.9.6)
19AC_PROG_CXX
20AC_PROG_INSTALL
21
22dnl Check if we have enable python
23# python module
24AC_MSG_CHECKING(whether to enable python module)
25AC_ARG_ENABLE(
26 [python],
27 AS_HELP_STRING([--enable-python],[turn on python module [default=yes]]),
28 enable_python=$enableval,
29 enable_python="yes")
30AC_MSG_RESULT($enable_python)
31AS_IF([test x"$enable_python" != x"no"],[
32 # Python (for boost::python)
33 AM_PATH_PYTHON([2.2])
34 AX_PYTHON
35 AC_DEFINE(HAVE_PYTHON,1, ["Build python module and scripts."])
36])
37AM_CONDITIONAL([CONDPYTHON], [test x"$enable_python" != x"no"])
38AC_SUBST(HAVE_PYTHON)
39
40dnl Check if we have enable qtgui
41# Qt programs
42AC_ARG_WITH(
43 [Qt-bin],
44 [AS_HELP_STRING([--with-Qt-bin], [give path to Qt binaries])],
45 [have_qtgui_path=$withval
46 enable_qtgui="yes"],
47 have_qtgui_path="")
48AC_MSG_CHECKING(whether to enable Qt-based GUI)
49AC_ARG_ENABLE(
50 [qtgui],
51 AS_HELP_STRING([--enable-qtgui],[turn on Qt GUI compilation [default=yes]]),
52 enable_qtgui=$enableval,
53 enable_qtgui="yes")
54AC_MSG_RESULT($enable_qtgui)
55AS_IF([test x"$enable_qtgui" != x"no"],[
56 AC_PATH_PROGS([QT_MOC],
57 [moc-qt4 moc],
58 [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])],
59 [$have_qtgui_path]
60 )
61 AC_PATH_PROGS([QT_UIC],
62 [uic-qt4 uic],
63 [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])],
64 [$have_qtgui_path]
65 )
66 PKG_CHECK_MODULES([QT], [QtCore QtGui Qt3D], [
67 ])
68 AC_SUBST([QT_CFLAGS])
69 AC_SUBST([QT_LIBS])
70 AC_DEFINE(HAVE_QTGUI,1, ["Build Qt-based GUI"])
71])
72AM_CONDITIONAL([CONDQTGUI], [test x"$enable_qtgui" != x"no"])
73AC_SUBST(HAVE_QTGUI)
74
75# use doxygen
76DX_HTML_FEATURE(ON)
77DX_PS_FEATURE(OFF)
78DX_PDF_FEATURE(OFF)
79DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, ${docdir})
80
81# use libtool
82LT_INIT([static])
83
84# Define these substitions here to keep all version information in one place.
85# For information on how to properly maintain the library version information,
86# refer to the libtool manual, section "Updating library version information":
87# http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
88AC_SUBST([MOLECUILDER_SO_VERSION], [10:2:0])
89AC_SUBST([MOLECUILDER_API_VERSION], [1.3.2])
90
91dnl this macro is used to get the arguments supplied
92dnl to the configure script (./configure --enable-debug)
93dnl Check if we have enable debug support.
94AC_MSG_CHECKING(whether to enable debugging)
95have_debug="no"
96AC_ARG_ENABLE(
97 [debug],
98 AS_HELP_STRING([--enable-debug],[turn on debugging [default=no]]),
99 enable_debug=$enableval,
100 enable_debug="no")
101AC_MSG_RESULT($enable_debug)
102AS_IF([test x"$enable_debug" = x"yes"],[
103 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
104 AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
105 have_debug="yes"
106],[
107 AS_IF([test x"$enable_debug" = x"full"],[
108 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
109 AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
110 AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
111 AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
112 have_debug="full"
113 ],[
114 AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
115 AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
116 AC_DEFINE(QT_NO_DEBUG,, ["Disable Qt debug messages."])
117 have_debug="no"
118 ])
119])
120AC_SUBST(HAVE_DEBUG)
121
122dnl this macro is used to get the arguments supplied
123dnl to the configure script (./configure --enable-debug)
124dnl Check if we have enable debug support.
125AC_MSG_CHECKING(whether to enable internal caching/lazy evaluation)
126AC_ARG_ENABLE(
127 [cache],
128 AS_HELP_STRING([--enable-cache],[turn on internal lazy evaluation [default=yes]]),
129 enable_cache=$enableval,
130 enable_cache="yes")
131AC_MSG_RESULT($enable_cache)
132AS_IF([test x"$enable_cache" != x"no"],[
133 AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
134],[
135 AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
136 AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
137])
138AC_SUBST(HAVE_CACHE)
139
140# Checks for libraries.
141AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
142
143# Boost
144BOOST_REQUIRE([1.40])
145
146# Boost headers only
147BOOST_ANY
148BOOST_ARRAY
149BOOST_BIND
150BOOST_CONVERSION
151BOOST_EXCEPTION
152BOOST_FOREACH
153BOOST_FUNCTION
154BOOST_ITERATOR
155BOOST_MULTIARRAY
156BOOST_PREPROCESSOR
157BOOST_RANDOM
158BOOST_SMART_PTR
159BOOST_STRING_ALGO
160BOOST_TOKENIZER
161
162# Boost headers with libraries
163BOOST_FILESYSTEM
164BOOST_IOSTREAMS
165BOOST_PROGRAM_OPTIONS
166AS_IF([test x"$enable_python" != x"no"], [BOOST_PYTHON])
167BOOST_SERIALIZATION
168BOOST_THREADS
169
170
171# CodePatterns library (needs boost/exception_ptr.hpp before MemDebug.hpp)
172AM_PATH_CODEPATTERNS([1.2.3], $have_debug,,[AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])])
173
174# JobMarket library (needs boost/archive/iserializer.hpp before MemDebug.hpp)
175AC_ARG_ENABLE(
176 [jobmarket],
177 AS_HELP_STRING([--enable-jobmarket],[turn on JobMarket feature [default=yes]]),
178 enable_jobmarket=$enableval,
179 enable_jobmarket="yes")
180AC_MSG_RESULT($enable_jobmarket)
181AS_IF([test x"$enable_jobmarket" != x"no"],[
182 # JobMarket library (needs newer ax_jobmarket.m4 and smaller fixes)
183 AM_PATH_JOBMARKET([1.1.1], $have_debug,[
184 # the following is only required if we have JobMarket
185 BOOST_ASIO
186 AC_DEFINE(HAVE_JOBMARKET,1, ["use JobMarket to calculate fragment jobs."])
187 ],[
188 enable_jobmarket="no"
189 ])
190]
191#[
192# AC_DEFINE(HAVE_JOBMARKET,0, ["use JobMarket to calculate fragment jobs."])
193#]
194)
195AC_SUBST(HAVE_JOBMARKET)
196AM_CONDITIONAL([CONDJOBMARKET], [test x"$enable_jobmarket" = x"yes"])
197
198# Checks for header files.
199AC_HEADER_STDC
200AC_CHECK_HEADERS([sys/time.h])
201AC_HEADER_STDBOOL
202
203AC_FUNC_MALLOC
204AC_FUNC_REALLOC
205AC_CHECK_FUNCS([floor pow sqrt strchr])
206
207# Checks for typedefs, structures, and compiler characteristics.
208AC_C_CONST
209AC_C_INLINE
210AC_C_RESTRICT
211AC_TYPE_SIZE_T
212
213# Checks for library functions.
214# check for GNU Scientific Library
215AC_CHECK_HEADERS([gsl/gsl_blas.h])
216AC_SEARCH_LIBS(dnrm2, gslblas gslcblas goto blas cblas)
217AC_SEARCH_LIBS(cblas_dnrm2, gslblas gslcblas blas cblas)
218AC_SEARCH_LIBS(gsl_blas_dnrm2,, gsl)
219#AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
220AC_CHECK_LIB(gsl, main)
221
222# use CppUnit TestRunner or not
223AC_MSG_CHECKING(whether to enable ECut TestRunnerClient)
224AC_ARG_ENABLE(
225 [ecut],
226 AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient [default=no]]),
227 enable_ecut=$disableval,
228 enable_ecut="no")
229AC_MSG_RESULT($enable_ecut)
230AS_IF([test x"$enable_ecut" = x"yes"],[
231 AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
232 AC_SUBST(HAVE_ECUT)
233])
234AM_CONDITIONAL([CONDECUT], [test x"$enable_ecut" = x"yes"])
235
236# with valgrinding testsuite or not
237AC_MSG_CHECKING(whether to enable valgrind memory checking in testsuite)
238AC_ARG_ENABLE(
239 [valgrind],
240 AS_HELP_STRING([--enable-valgrind],[Use Valgrind on the testsuite [default=no]]),
241 enable_valgrind=$enableval,
242 enable_valgrind="no")
243AC_MSG_RESULT($enable_valgrind)
244AS_IF([test x"$enable_valgrind" = x"yes"], [
245 AC_CHECK_HEADER([valgrind/valgrind.h],
246 [
247 # check header
248 AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
249 # check path
250 AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
251 # set variables
252 AC_SUBST(HAVE_VALGRIND_TESTSUITE)
253 AC_SUBST(VALGRIND)
254 ],
255 [
256 AC_MSG_ERROR(["Valgrind support requested but headers not available."])
257 ]
258 )
259])
260
261# Check for "extern inline", using a modified version
262# of the test for AC_C_INLINE from acspecific.mt
263AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
264[ac_cv_c_extern_inline=no
265AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
266extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
267double foo (double x) { return x + 1.0; };],
268[ foo(1.0) ],
269[ac_cv_c_extern_inline="yes"])
270])
271
272if test "$ac_cv_c_inline" != no ; then
273 AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
274 AC_SUBST(HAVE_INLINE)
275fi
276
277#AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
278
279# test suite
280
281AC_CONFIG_FILES([
282 tests/Makefile])
283
284AC_CONFIG_TESTDIR(tests/CodeChecks)
285AC_CONFIG_FILES([
286 tests/CodeChecks/atlocal
287 tests/CodeChecks/Makefile])
288
289AC_CONFIG_TESTDIR(tests/Fragmentations)
290AC_CONFIG_FILES([
291 tests/Fragmentations/atlocal
292 tests/Fragmentations/Makefile])
293AC_CONFIG_FILES([tests/Fragmentations/analyzer], [chmod +x tests/Fragmentations/analyzer])
294AC_CONFIG_FILES([tests/Fragmentations/joiner], [chmod +x tests/Fragmentations/joiner])
295AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
296
297AC_CONFIG_TESTDIR(tests/JobMarket)
298AC_CONFIG_FILES([
299 tests/JobMarket/atlocal
300 tests/JobMarket/Makefile])
301AC_CONFIG_FILES([tests/JobMarket/molecuilder], [chmod +x tests/JobMarket/molecuilder])
302
303AC_CONFIG_TESTDIR(tests/regression)
304AC_CONFIG_FILES([
305 tests/regression/atlocal
306 tests/regression/Makefile])
307AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
308
309AC_CONFIG_TESTDIR(tests/Tesselations)
310AC_CONFIG_FILES([
311 tests/Tesselations/atlocal
312 tests/Tesselations/Makefile])
313AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
314
315AC_CONFIG_FILES([
316 doc/molecuilder.xml])
317AC_CONFIG_FILES([
318 MoleCuilder.pc:MoleCuilder.pc.in])
319AC_CONFIG_FILES([
320 Makefile
321 doc/Makefile
322 src/Makefile
323 utils/Makefile
324])
325AC_CONFIG_FILES([
326 src/unittests/Makefile
327])
328
329# produce python scripts and tests only when python's present
330AM_COND_IF([CONDPYTHON],[
331 AC_CONFIG_TESTDIR([tests/Python])
332 AC_CONFIG_FILES([utils/Python/boxmaker.py:utils/Python/boxmaker.py.in], [chmod +x utils/Python/boxmaker.py])
333 AC_CONFIG_FILES([utils/Python/python_wrapper:utils/Python/python_wrapper.in], [chmod +x utils/Python/python_wrapper])
334 AC_CONFIG_FILES([tests/Python/run], [chmod +x tests/Python/run])
335 AC_CONFIG_FILES([tests/Python/atlocal])
336 AC_CONFIG_FILES([tests/Python/Makefile])
337])
338
339AC_OUTPUT
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