source: configure.ac@ 8e8752

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.0 Candidate_v1.6.1 Candidate_v1.7.0 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_ChronosMutex Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since 8e8752 was 440ac3, checked in by Frederik Heber <heber@…>, 9 years ago

Prefixed Controller, Server, and PoolWorker.

  • renamed to molecuilder_...
  • Calculations check target now each starts .._server and .._poolworker.
  • fixed Examples with using molecuilder_mpqc.
  • Property mode set to 100644
File size: 19.9 KB
Line 
1# -*- Autoconf -*-
2# Process this file with autoconf to produce a configure script.
3
4AC_PREREQ(2.59)
5AC_INIT(MoleCuilder, 1.5.4, [foo@molecuilder.de], [molecuilder], [http://www.molecuilder.de/])
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([ThirdParty/LinearAlgebra])
11AC_CONFIG_SUBDIRS([ThirdParty/mpqc_open])
12
13# parallel-tests: use parallel test druver
14# color-tests: us coloring to indicate success/failure when available
15# tar-pax: use newer tar implementation with longer filename (>99 chars)
16AM_INIT_AUTOMAKE([dist-bzip2 1.5 parallel-tests color-tests tar-pax subdir-objects])
17
18# Checks for programs.
19AC_PROG_CXX
20AC_PROG_INSTALL
21
22# check for cppunit (taken from svn.apache.org/../xmlbeanscxx)
23AM_PATH_CPPUNIT(1.9.6)
24AM_CONDITIONAL(CONDCPPUNIT, test "$CPPUNIT_LIBS")
25
26dnl Check if we have enable python
27# python module
28AC_MSG_CHECKING(whether to enable python module)
29AC_ARG_ENABLE(
30 [python],
31 AS_HELP_STRING([--enable-python],[turn on python module [default=yes]]),
32 enable_python=$enableval,
33 enable_python="yes")
34AC_MSG_RESULT($enable_python)
35AS_IF([test x"$enable_python" != x"no"],[
36 # Python (for boost::python)
37 AM_PATH_PYTHON([2.2])
38 AX_PYTHON
39 AC_DEFINE(HAVE_PYTHON,1, ["Build python module and scripts."])
40])
41AM_CONDITIONAL([CONDPYTHON], [test x"$enable_python" != x"no"])
42AC_SUBST(HAVE_PYTHON)
43
44dnl Check whether no extra thread for ActionQueue shall be used
45AC_MSG_CHECKING(whether to enable ActionQueue's run thread)
46AC_ARG_ENABLE(
47 [action_thread],
48 AS_HELP_STRING([--enable-action-thread],[turn on extra run thread for ActionQueue [default=yes]]),
49 enable_action_thread=$enableval,
50 enable_action_thread="no"
51)
52AC_MSG_RESULT($enable_action_thread)
53AS_IF([test x"$enable_action_thread" != x"no"],[
54 AC_DEFINE(HAVE_ACTION_THREAD,1, ["Have extra run thread for ActionQueue."])
55])
56AM_CONDITIONAL([CONDACTIONTHREAD], [test x"$enable_action_thread" != x"no"])
57AC_SUBST(HAVE_ACTION_THREAD)
58
59dnl Check if we have enable qtgui
60# Qt programs
61AC_MSG_CHECKING(whether to enable Qt-based GUI)
62AC_ARG_ENABLE(
63 [qtgui],
64 AS_HELP_STRING([--enable-qtgui],[turn on Qt GUI compilation [default=yes]]),
65 enable_qtgui=$enableval,
66 enable_qtgui="yes")
67AC_MSG_RESULT($enable_qtgui)
68AS_IF([test x"$enable_qtgui" != x"no"],[
69 AC_ARG_WITH(
70 [Qt-bin],
71 [AS_HELP_STRING([--with-Qt-bin], [give path to Qt binaries])],
72 [have_qtgui_path=$withval],
73 have_qtgui_path="")
74 AS_IF([test x"$have_qtgui_path" != x""],[
75 AC_PATH_PROGS([QT_MOC],
76 [moc-qt4 moc],
77 [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])],
78 [$have_qtgui_path]
79 )
80 AC_PATH_PROGS([QT_RCC],
81 [rcc-qt4 rcc],
82 [AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])],
83 [$have_qtgui_path]
84 )
85 AC_PATH_PROGS([QT_UIC],
86 [uic-qt4 uic],
87 [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])],
88 [$have_qtgui_path]
89 )
90 ],[
91 AC_PATH_PROGS([QT_MOC],
92 [moc-qt4 moc],
93 [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])]
94 )
95 AC_PATH_PROGS([QT_RCC],
96 [rcc-qt4 rcc],
97 [AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])]
98 )
99 AC_PATH_PROGS([QT_UIC],
100 [uic-qt4 uic],
101 [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])]
102 )
103 ])
104 PKG_CHECK_MODULES([QT], [QtCore QtGui Qt3D], [
105 ])
106 AC_SUBST([QT_CFLAGS])
107 AC_SUBST([QT_LIBS])
108 AC_DEFINE(HAVE_QTGUI,1, ["Build Qt-based GUI"])
109])
110AM_CONDITIONAL([CONDQTGUI], [test x"$enable_qtgui" != x"no"])
111AC_SUBST(HAVE_QTGUI)
112
113dnl Check whether qtgui captures log or not
114AC_MSG_CHECKING(whether to capture stdout in qtgui)
115AC_ARG_ENABLE(
116 [qtgui_capture_log],
117 AS_HELP_STRING([--enable-qtgui-capture-log],[turn on capturing of log inside qtgui [default=yes]]),
118 enable_qtgui_capture_log=$enableval,
119 enable_qtgui_capture_log="yes"
120)
121AC_MSG_RESULT($enable_qtgui_capture_log)
122AS_IF([test x"$enable_qtgui_capture_log" != x"no"],[
123 AC_DEFINE(QT_CAPTURES_LOG,1, ["Have QtGui capture the stdout."])
124])
125AC_SUBST(QT_CAPTURES_LOG)
126
127
128# check additionally for QWT to enable plotting of potentials
129AC_MSG_CHECKING(whether to enable Qwt-based plotting)
130#enable_qwt=yes
131AC_ARG_ENABLE(
132 [qwt],
133 AS_HELP_STRING([--enable-qwt],[turn on Qwt compilation [default=yes]]),
134 enable_qwt=$enableval,
135 enable_qwt="yes")
136AC_MSG_RESULT($enable_qwt)
137AS_IF([test x"$enable_qwt" != x"no"],[
138 MOL_AC_HAVE_QWT_IFELSE(
139 [
140 enable_qwt=yes
141 AC_DEFINE(HAVE_QWT,1, ["Build Qwt-based plotting"])
142 ],
143 [
144 enable_qwt=no
145 AC_MSG_WARN([Qwt not found, disabling plotting in QtUI.])
146 ]
147 )
148])
149AM_CONDITIONAL([CONDQWT], [test x"$enable_qwt" != x"no"])
150AC_SUBST(HAVE_QWT)
151
152# use doxygen
153DX_HTML_FEATURE(ON)
154DX_PS_FEATURE(OFF)
155DX_PDF_FEATURE(OFF)
156DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, ${docdir})
157
158# use docbook
159AX_CHECK_DOCBOOK
160
161# use libtool
162LT_INIT([static])
163
164# Define these substitions here to keep all version information in one place.
165# For information on how to properly maintain the library version information,
166# refer to the libtool manual, section "Updating library version information":
167# http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
168AC_SUBST([MOLECUILDER_SO_VERSION], [17:0:0])
169AC_SUBST([MOLECUILDER_API_VERSION], [1.5.4])
170
171dnl this macro is used to get the arguments supplied
172dnl to the configure script (./configure --enable-debug)
173dnl Check if we have enable debug support.
174AC_MSG_CHECKING(whether to enable debugging)
175have_debug="no"
176AC_ARG_ENABLE(
177 [debug],
178 AS_HELP_STRING([--enable-debug],[turn on debugging [default=no]]),
179 enable_debug=$enableval,
180 enable_debug="no")
181AC_MSG_RESULT($enable_debug)
182AS_IF([test x"$enable_debug" = x"yes"],[
183 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
184 AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
185 have_debug="yes"
186],[
187 AS_IF([test x"$enable_debug" = x"full"],[
188 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
189 AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
190 AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
191 dnl AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
192 have_debug="full"
193 ],[
194 AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
195 AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
196 AC_DEFINE(QT_NO_DEBUG_OUTPUT,, ["Disable Qt debug messages."])
197 have_debug="no"
198 ])
199])
200AC_SUBST(HAVE_DEBUG)
201
202dnl this macro is used to get the arguments supplied
203dnl to the configure script (./configure --enable-debug)
204dnl Check if we have enable debug support.
205AC_MSG_CHECKING(whether to enable internal caching/lazy evaluation)
206AC_ARG_ENABLE(
207 [cache],
208 AS_HELP_STRING([--enable-cache],[turn on internal lazy evaluation [default=yes]]),
209 enable_cache=$enableval,
210 enable_cache="yes")
211AC_MSG_RESULT($enable_cache)
212AS_IF([test x"$enable_cache" != x"no"],[
213 AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
214],[
215 AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
216 AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
217])
218AC_SUBST(HAVE_CACHE)
219
220# Checks for libraries.
221AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
222
223# Pthreads
224ACX_PTHREAD()
225
226# Boost
227BOOST_REQUIRE([1.40])
228
229# Boost headers only
230BOOST_ANY
231BOOST_ARRAY
232BOOST_BIMAP
233BOOST_BIND
234BOOST_CAST
235BOOST_CONVERSION
236BOOST_EXCEPTION
237BOOST_FOREACH
238BOOST_FUNCTION
239BOOST_FUSION
240BOOST_GRAPH
241BOOST_ITERATOR
242BOOST_MULTIARRAY
243BOOST_MULTIINDEXCONTAINER
244BOOST_MPL
245BOOST_PREPROCESSOR
246BOOST_RANDOM
247BOOST_SMART_PTR
248BOOST_STRING_ALGO
249BOOST_TOKENIZER
250
251# Boost headers with libraries
252BOOST_FILESYSTEM
253BOOST_IOSTREAMS
254BOOST_PROGRAM_OPTIONS
255AS_IF([test x"$enable_python" != x"no"], [BOOST_PYTHON])
256BOOST_SERIALIZATION
257BOOST_THREADS
258
259
260# CodePatterns library (requiring UnobservedIterator)
261compile_codepatterns="no"
262AM_PATH_CODEPATTERNS([1.3.2], $have_debug,,[
263 # compile from ThirdParty
264 AC_CONFIG_SUBDIRS([ThirdParty/CodePatterns])
265 compile_codepatterns="yes"
266 [CodePatterns_LDFLAGS='-L$(top_builddir)/ThirdParty/CodePatterns/src']
267 [CodePatterns_CFLAGS='-I$(top_srcdir)/ThirdParty/CodePatterns/src']
268 AS_IF([test x"$enable_debug" != x"no"], [
269 [CodePatterns_LIBS='-lcodepatterns-debug']
270 ],[
271 [CodePatterns_LIBS='-lcodepatterns']
272 ])
273 AC_SUBST(CodePatterns_LDFLAGS)
274 AC_SUBST(CodePatterns_CFLAGS)
275 AC_SUBST(CodePatterns_LIBS)
276 #AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])
277])
278AC_MSG_CHECKING(whether to compile codepatterns)
279AC_MSG_RESULT($compile_codepatterns)
280AM_CONDITIONAL([COND_COMPILE_CODEPATTERNS], [test x"$compile_codepatterns" = x"yes"])
281
282# JobMarket library (needs boost/archive/iserializer.hpp before MemDebug.hpp)
283AC_MSG_CHECKING(whether to enable jobmarket)
284AC_ARG_ENABLE(
285 [jobmarket],
286 AS_HELP_STRING([--enable-jobmarket],[turn on JobMarket feature [default=yes]]),
287 enable_jobmarket=$enableval,
288 enable_jobmarket="yes")
289AC_MSG_RESULT($enable_jobmarket)
290compile_jobmarket="no"
291AC_MSG_CHECKING(whether to compile jobmarket)
292AS_IF([test x"$enable_jobmarket" != x"no"],[
293 # the following is only required if we use JobMarket
294 BOOST_ASIO
295 AC_DEFINE(HAVE_JOBMARKET,1, ["use JobMarket to calculate fragment jobs."])
296 # JobMarket library (needs SystemCommandJob with suffix)
297 AM_PATH_JOBMARKET([1.1.6], $have_debug,
298 ,[
299 AC_CONFIG_SUBDIRS([ThirdParty/JobMarket])
300 compile_jobmarket="yes"
301 [JobMarket_CFLAGS='-I$(top_srcdir)/ThirdParty/JobMarket/src']
302 [JobMarket_LDFLAGS='-L$(top_builddir)/ThirdParty/JobMarket/src/JobMarket']
303 [JobMarket_LIBS='-lJobMarket']
304 [JobMarket_Controller_LIBS='-lJobMarketController']
305 [JobMarket_Server_LIBS='-lJobMarketServer']
306 [JobMarket_PoolWorker_LIBS='-lJobMarketPoolWorker']
307 AC_SUBST(JobMarket_CFLAGS)
308 AC_SUBST(JobMarket_LDFLAGS)
309 AC_SUBST(JobMarket_LIBS)
310 AC_SUBST(JobMarket_Controller_LIBS)
311 AC_SUBST(JobMarket_Server_LIBS)
312 AC_SUBST(JobMarket_PoolWorker_LIBS)
313 ])
314]
315AC_MSG_RESULT($compile_jobmarket)
316AM_CONDITIONAL([COND_COMPILE_JOBMARKET], [test x"$compile_jobmarket" = x"yes"])
317#[
318# AC_DEFINE(HAVE_JOBMARKET,0, ["use JobMarket to calculate fragment jobs."])
319#]
320)
321AC_SUBST(HAVE_JOBMARKET)
322AM_CONDITIONAL([CONDJOBMARKET], [test x"$enable_jobmarket" = x"yes"])
323
324# VMG library
325AC_MSG_CHECKING(whether to compile in long-range support via vmg)
326AC_ARG_ENABLE(
327 [vmg],
328 [AS_HELP_STRING([--enable-vmg], [turn on long-range potential calculation via VMG [default=no]])],
329 [enable_vmg=$enableval],
330 enable_vmg="no")
331AC_MSG_RESULT($enable_vmg)
332compile_vmg="no"
333AC_MSG_CHECKING(whether to compile vmg library)
334AS_IF([test x"$enable_vmg" != x"no"],[
335 PKG_CHECK_MODULES(VMG, VMG >= 0.1, [enable_vmg="yes"], [enable_vmg="no"])
336 AS_IF([test x"$enable_vmg" = x"no"],[
337 AC_CONFIG_SUBDIRS([ThirdParty/vmg])
338 compile_vmg="yes"
339 enable_vmg="yes"
340 [VMG_CFLAGS='-I$(top_srcdir)/ThirdParty/vmg/src']
341 [VMG_LDFLAGS='-L$(top_builddir)/ThirdParty/vmg/src']
342 [VMG_LIBS='-lvmg']
343 ])
344 AC_SUBST(VMG_CFLAGS)
345 AC_SUBST(VMG_LDFLAGS)
346 AC_SUBST(VMG_LIBS)
347 AC_DEFINE(HAVE_VMG,1, ["use VMG to calculate long-range contributions."])
348
349 # check whether to use mpi
350 AC_ARG_WITH(
351 [vmg-mpi],
352 [AS_HELP_STRING([--with-vmg-mpi], [whether to use MPI for communication in VMGJobs])],
353 [with_vmg_mpi=yes],
354 [with_vmg_mpi=no])
355 AS_IF(
356 [test "x$with_vmg_mpi" != xno],
357 [
358 AC_LANG_SAVE
359 AC_LANG_CPLUSPLUS
360 LX_FIND_MPI
361 AC_LANG_RESTORE
362 AS_IF([test "x$have_CXX_mpi" = xyes],[
363 AC_DEFINE([MPICH_SKIP_MPICXX], [1], [Skip C++ bindings])
364 AC_DEFINE([OMPI_SKIP_MPICXX], [1], [Skip C++ bindings])
365 AC_DEFINE([MPI_NO_CPPBIND], [1], [Skip C++ bindings])
366 AC_DEFINE([_MPICC_H], [1], [Skip C++ bindings])
367 AC_DEFINE([MPIBULL_SKIP_MPICXX], [1], [Skip C++ bindings])
368 #ac_configure_args="$ac_configure_args --with-mpi-thread=single --with-default-parallel=mpi --with-include=\"$MPI_CXXFLAGS\" --with-libs=\"$MPI_CXXLDFLAGS\""
369 ac_configure_args="$ac_configure_args --with-default-parallel=none"
370 ])
371 ],
372 [])
373])
374AC_MSG_RESULT($compile_vmg)
375AM_CONDITIONAL([CONDVMG], [test x"$enable_vmg" = x"yes"])
376AM_CONDITIONAL([CONDVMGMPI], [test x"$have_CXX_mpi" = x"yes"])
377AM_CONDITIONAL([COND_COMPILE_VMG], [test x"$compile_vmg" = x"yes"])
378
379
380# Check for Levenberg-Marquardt implementation
381AC_MSG_CHECKING(whether to enable function fitting via levmar)
382AC_ARG_ENABLE(
383 [levmar],
384 AS_HELP_STRING([--enable-levmar],[turn on LevMar feature [default=no]]),
385 enable_levmar=$enableval,
386 enable_levmar="no")
387AC_MSG_RESULT($enable_levmar)
388# don't use AS_IF here as it expands (and tests) AC_F77_FUN even if levmar
389# is disabled.
390compile_levmar="no"
391AS_IF([test x"$enable_levmar" = xyes],[
392 AC_MSG_CHECKING(for levmar presence via given path )
393 AC_ARG_WITH(
394 [levmar],
395 [AS_HELP_STRING([--with-levmar], [give path to LevMar package])],
396 [have_levmar_path=$withval
397 enable_levmar=yes],
398 [
399 enable_levmar=no
400 ])
401 AC_MSG_RESULT($enable_levmar)
402 AS_IF([test -n "$have_levmar_path"],[
403 LEVMAR_CPPFLAGS="-I${have_levmar_path}/include"
404 LEVMAR_LDFLAGS="-L${have_levmar_path}/lib"
405 LEVMAR_LIBS="-llevmar"],
406 [PKG_CHECK_MODULES([LEVMAR],[levmar],[enable_levmar=yes],[enable_levmar=no])
407 ])
408 ],[enable_levmar=no]
409)
410if test x"$enable_levmar" = xyes; then
411 AX_LAPACK([enable_levmar=yes],
412 [enable_levmar=no
413 AC_MSG_WARN(["Missing LAPACK, disabling off levmar"])
414 ]
415 )
416else
417 AC_CONFIG_SUBDIRS([ThirdParty/levmar])
418 compile_levmar="yes"
419 enable_levmar="yes"
420 LEVMAR_CPPFLAGS='-I$(top_srcdir)/ThirdParty/levmar/src'
421 LEVMAR_LDFLAGS='-L$(top_builddir)/ThirdParty/levmar/src'
422 LEVMAR_LIBS='-llevmar'
423fi
424AC_MSG_CHECKING(for levmar usability)
425AS_IF([test x"$enable_levmar" = xyes],[
426 AC_SUBST(LEVMAR_CPPFLAGS)
427 AC_SUBST(LEVMAR_LDFLAGS)
428 AC_SUBST(LEVMAR_LIBS)
429 AC_DEFINE(HAVE_LEVMAR,1, ["use levmar for non-linear minimisation/potential fitting."])])
430AC_MSG_RESULT($enable_levmar)
431AM_CONDITIONAL([CONDLEVMAR], [test x"$enable_levmar" = x"yes"])
432AM_CONDITIONAL([COND_COMPILE_LEVMAR], [test x"$compile_levmar" = x"yes"])
433
434# Checks for header files.
435AC_HEADER_STDC
436AC_CHECK_HEADERS([sys/time.h])
437AC_HEADER_STDBOOL
438
439AC_FUNC_MALLOC
440AC_FUNC_REALLOC
441AC_CHECK_FUNCS([floor pow sqrt strchr])
442
443# Checks for typedefs, structures, and compiler characteristics.
444AC_C_CONST
445AC_C_INLINE
446AC_C_RESTRICT
447AC_TYPE_SIZE_T
448
449# Checks for library functions.
450# check for GNU Scientific Library
451AC_CHECK_HEADERS([gsl/gsl_blas.h])
452AC_SEARCH_LIBS(dnrm2, gslblas gslcblas goto blas cblas)
453AC_SEARCH_LIBS(cblas_dnrm2, gslblas gslcblas blas cblas)
454AC_SEARCH_LIBS(gsl_blas_dnrm2,, gsl)
455#AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
456AC_CHECK_LIB(gsl, main)
457
458# use CppUnit TestRunner or not
459AC_MSG_CHECKING(whether to enable ECut TestRunnerClient)
460AC_ARG_ENABLE(
461 [ecut],
462 AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient [default=no]]),
463 enable_ecut=$disableval,
464 enable_ecut="no")
465AC_MSG_RESULT($enable_ecut)
466AS_IF([test x"$enable_ecut" = x"yes"],[
467 AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
468 AC_SUBST(HAVE_ECUT)
469])
470AM_CONDITIONAL([CONDECUT], [test x"$enable_ecut" = x"yes"])
471
472# with valgrinding testsuite or not
473AC_MSG_CHECKING(whether to enable valgrind memory checking in testsuite)
474AC_ARG_ENABLE(
475 [valgrind],
476 AS_HELP_STRING([--enable-valgrind],[Use Valgrind on the testsuite [default=no]]),
477 enable_valgrind=$enableval,
478 enable_valgrind="no")
479AC_MSG_RESULT($enable_valgrind)
480AS_IF([test x"$enable_valgrind" = x"yes"], [
481 AC_CHECK_HEADER([valgrind/valgrind.h],
482 [
483 # check header
484 AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
485 # check path
486 AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
487 # set variables
488 AC_SUBST(HAVE_VALGRIND_TESTSUITE)
489 AC_SUBST(VALGRIND)
490 ],
491 [
492 AC_MSG_ERROR(["Valgrind support requested but headers not available."])
493 ]
494 )
495])
496
497# Check for "extern inline", using a modified version
498# of the test for AC_C_INLINE from acspecific.mt
499AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
500[ac_cv_c_extern_inline=no
501AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
502extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
503double foo (double x) { return x + 1.0; };],
504[ foo(1.0) ],
505[ac_cv_c_extern_inline="yes"])
506])
507
508if test "$ac_cv_c_inline" != no ; then
509 AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
510 AC_SUBST(HAVE_INLINE)
511fi
512
513#AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
514
515# test suite
516
517AC_CONFIG_FILES([
518 tests/Makefile])
519
520AC_CONFIG_TESTDIR(tests/Calculations)
521AC_CONFIG_FILES([
522 tests/Calculations/atlocal
523 tests/Calculations/Makefile])
524AC_CONFIG_FILES([tests/Calculations/molecuilder], [chmod +x tests/Calculations/molecuilder])
525AC_CONFIG_FILES([tests/Calculations/molecuilder_mpqc], [chmod +x tests/Calculations/molecuilder_mpqc])
526
527AC_CONFIG_TESTDIR(tests/CodeChecks)
528AC_CONFIG_FILES([
529 tests/CodeChecks/atlocal
530 tests/CodeChecks/Makefile])
531
532AC_CONFIG_TESTDIR(tests/Fragmentations)
533AC_CONFIG_FILES([
534 tests/Fragmentations/atlocal
535 tests/Fragmentations/Makefile])
536AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
537
538AC_CONFIG_TESTDIR(tests/GuiChecks)
539AC_CONFIG_FILES([
540 tests/GuiChecks/atlocal
541 tests/GuiChecks/Makefile])
542AC_CONFIG_FILES([tests/GuiChecks/molecuilder], [chmod +x tests/GuiChecks/molecuilder])
543AC_CONFIG_FILES([tests/GuiChecks/molecuilderguitest], [chmod +x tests/GuiChecks/molecuilderguitest])
544AC_CONFIG_FILES([tests/GuiChecks/adjacencymatcher], [chmod +x tests/GuiChecks/adjacencymatcher])
545AC_CONFIG_FILES([tests/GuiChecks/trianglematcher], [chmod +x tests/GuiChecks/trianglematcher])
546
547AC_CONFIG_TESTDIR(tests/JobMarket)
548AC_CONFIG_FILES([
549 tests/JobMarket/atlocal
550 tests/JobMarket/Makefile])
551AC_CONFIG_FILES([tests/JobMarket/molecuilder], [chmod +x tests/JobMarket/molecuilder])
552
553AC_CONFIG_TESTDIR(tests/integration)
554AC_CONFIG_FILES([
555 tests/integration/atlocal
556 tests/integration/Makefile])
557AC_CONFIG_FILES([tests/integration/molecuilder], [chmod +x tests/integration/molecuilder])
558AC_CONFIG_FILES([tests/integration/molecuilder_mpqc], [chmod +x tests/integration/molecuilder_mpqc])
559
560AC_CONFIG_TESTDIR(tests/regression)
561AC_CONFIG_FILES([
562 tests/regression/atlocal
563 tests/regression/Makefile])
564AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
565AC_CONFIG_FILES([tests/regression/adjacencymatcher], [chmod +x tests/regression/adjacencymatcher])
566AC_CONFIG_FILES([tests/regression/trianglematcher], [chmod +x tests/regression/trianglematcher])
567AC_CONFIG_FILES([tests/regression/runpython], [chmod +x tests/regression/runpython])
568
569AC_CONFIG_TESTDIR(tests/Tesselations)
570AC_CONFIG_FILES([
571 tests/Tesselations/atlocal
572 tests/Tesselations/Makefile])
573AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
574AC_CONFIG_FILES([tests/Tesselations/trianglematcher], [chmod +x tests/Tesselations/trianglematcher])
575
576AC_CONFIG_TESTDIR(tests/Examples)
577AC_CONFIG_FILES([
578 tests/Examples/atlocal
579 tests/Examples/Makefile])
580AC_CONFIG_FILES([tests/Examples/molecuilder], [chmod +x tests/Examples/molecuilder])
581AC_CONFIG_FILES([tests/Examples/molecuilder_mpqc], [chmod +x tests/Examples/molecuilder_mpqc])
582
583AC_CONFIG_FILES([
584 doc/molecuilder.xml])
585AC_CONFIG_FILES([
586 doc/userguide/catalog.xml:doc/userguide/catalog.xml.in])
587AC_CONFIG_FILES([
588 MoleCuilder.pc:MoleCuilder.pc.in])
589AC_CONFIG_FILES([
590 doc/Makefile
591 doc/userguide/Makefile
592])
593AC_CONFIG_FILES([
594 Makefile
595 src/Makefile
596 src/Bond/AdjacencyMatcher/Makefile
597 src/Tesselation/TriangleMatcher/Makefile
598 ThirdParty/Makefile
599 data/icons/Makefile
600 utils/Makefile
601])
602AC_CONFIG_FILES([
603 src/unittests/Makefile
604])
605
606# produce python scripts and tests only when python's present
607AC_CONFIG_TESTDIR([tests/Python])
608AC_CONFIG_FILES([tests/Python/atlocal])
609AM_COND_IF([CONDPYTHON],[
610 AC_CONFIG_FILES([utils/Python/boxmaker.py:utils/Python/boxmaker.py.in], [chmod +x utils/Python/boxmaker.py])
611 AC_CONFIG_FILES([utils/Python/python_wrapper:utils/Python/python_wrapper.in], [chmod +x utils/Python/python_wrapper])
612 AC_CONFIG_FILES([tests/Python/run], [chmod +x tests/Python/run])
613])
614AC_CONFIG_FILES([tests/Python/Makefile])
615
616AC_OUTPUT
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