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Last change on this file since 1cde364 was 440ac3, checked in by Frederik Heber <heber@…>, 8 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
4	AC_PREREQ(2.59)
5	AC_INIT(MoleCuilder, 1.5.4, [foo@molecuilder.de], [molecuilder], [http://www.molecuilder.de/])
6	AC_CONFIG_AUX_DIR([build-aux])
7	AC_CONFIG_SRCDIR([src/builder.cpp])
8	AC_CONFIG_HEADER([config.h libmolecuilder_config.h])
9	AC_CONFIG_MACRO_DIR([m4])
10	AC_CONFIG_SUBDIRS([ThirdParty/LinearAlgebra])
11	AC_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)
16	AM_INIT_AUTOMAKE([dist-bzip2 1.5 parallel-tests color-tests tar-pax subdir-objects])
17
18	# Checks for programs.
19	AC_PROG_CXX
20	AC_PROG_INSTALL
21
22	# check for cppunit (taken from svn.apache.org/../xmlbeanscxx)
23	AM_PATH_CPPUNIT(1.9.6)
24	AM_CONDITIONAL(CONDCPPUNIT, test "$CPPUNIT_LIBS")
25
26	dnl Check if we have enable python
27	# python module
28	AC_MSG_CHECKING(whether to enable python module)
29	AC_ARG_ENABLE(
30	[python],
31	AS_HELP_STRING([--enable-python],[turn on python module [default=yes]]),
32	enable_python=$enableval,
33	enable_python="yes")
34	AC_MSG_RESULT($enable_python)
35	AS_IF([test x"$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	])
41	AM_CONDITIONAL([CONDPYTHON], [test x"$enable_python" != x"no"])
42	AC_SUBST(HAVE_PYTHON)
43
44	dnl Check whether no extra thread for ActionQueue shall be used
45	AC_MSG_CHECKING(whether to enable ActionQueue's run thread)
46	AC_ARG_ENABLE(
47	[action_thread],
48	AS_HELP_STRING([--enable-action-thread],[turn on extra run thread for ActionQueue [default=yes]]),
49	enable_action_thread=$enableval,
50	enable_action_thread="no"
51	)
52	AC_MSG_RESULT($enable_action_thread)
53	AS_IF([test x"$enable_action_thread" != x"no"],[
54	AC_DEFINE(HAVE_ACTION_THREAD,1, ["Have extra run thread for ActionQueue."])
55	])
56	AM_CONDITIONAL([CONDACTIONTHREAD], [test x"$enable_action_thread" != x"no"])
57	AC_SUBST(HAVE_ACTION_THREAD)
58
59	dnl Check if we have enable qtgui
60	# Qt programs
61	AC_MSG_CHECKING(whether to enable Qt-based GUI)
62	AC_ARG_ENABLE(
63	[qtgui],
64	AS_HELP_STRING([--enable-qtgui],[turn on Qt GUI compilation [default=yes]]),
65	enable_qtgui=$enableval,
66	enable_qtgui="yes")
67	AC_MSG_RESULT($enable_qtgui)
68	AS_IF([test x"$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	[$have_qtgui_path]
89	)
90	],[
91	AC_PATH_PROGS([QT_MOC],
92	[moc-qt4 moc],
93	[AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])]
94	)
95	AC_PATH_PROGS([QT_RCC],
96	[rcc-qt4 rcc],
97	[AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])]
98	)
99	AC_PATH_PROGS([QT_UIC],
100	[uic-qt4 uic],
101	[AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])]
102	)
103	])
104	PKG_CHECK_MODULES([QT], [QtCore QtGui Qt3D], [
105	])
106	AC_SUBST([QT_CFLAGS])
107	AC_SUBST([QT_LIBS])
108	AC_DEFINE(HAVE_QTGUI,1, ["Build Qt-based GUI"])
109	])
110	AM_CONDITIONAL([CONDQTGUI], [test x"$enable_qtgui" != x"no"])
111	AC_SUBST(HAVE_QTGUI)
112
113	dnl Check whether qtgui captures log or not
114	AC_MSG_CHECKING(whether to capture stdout in qtgui)
115	AC_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=$enableval,
119	enable_qtgui_capture_log="yes"
120	)
121	AC_MSG_RESULT($enable_qtgui_capture_log)
122	AS_IF([test x"$enable_qtgui_capture_log" != x"no"],[
123	AC_DEFINE(QT_CAPTURES_LOG,1, ["Have QtGui capture the stdout."])
124	])
125	AC_SUBST(QT_CAPTURES_LOG)
126
127
128	# check additionally for QWT to enable plotting of potentials
129	AC_MSG_CHECKING(whether to enable Qwt-based plotting)
130	#enable_qwt=yes
131	AC_ARG_ENABLE(
132	[qwt],
133	AS_HELP_STRING([--enable-qwt],[turn on Qwt compilation [default=yes]]),
134	enable_qwt=$enableval,
135	enable_qwt="yes")
136	AC_MSG_RESULT($enable_qwt)
137	AS_IF([test x"$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	])
149	AM_CONDITIONAL([CONDQWT], [test x"$enable_qwt" != x"no"])
150	AC_SUBST(HAVE_QWT)
151
152	# use doxygen
153	DX_HTML_FEATURE(ON)
154	DX_PS_FEATURE(OFF)
155	DX_PDF_FEATURE(OFF)
156	DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, ${docdir})
157
158	# use docbook
159	AX_CHECK_DOCBOOK
160
161	# use libtool
162	LT_INIT([static])
163
164	# Define these substitions here to keep all version information in one place.
165	# For information on how to properly maintain the library version information,
166	# refer to the libtool manual, section "Updating library version information":
167	# http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
168	AC_SUBST([MOLECUILDER_SO_VERSION], [17:0:0])
169	AC_SUBST([MOLECUILDER_API_VERSION], [1.5.4])
170
171	dnl this macro is used to get the arguments supplied
172	dnl to the configure script (./configure --enable-debug)
173	dnl Check if we have enable debug support.
174	AC_MSG_CHECKING(whether to enable debugging)
175	have_debug="no"
176	AC_ARG_ENABLE(
177	[debug],
178	AS_HELP_STRING([--enable-debug],[turn on debugging [default=no]]),
179	enable_debug=$enableval,
180	enable_debug="no")
181	AC_MSG_RESULT($enable_debug)
182	AS_IF([test x"$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"$enable_debug" = x"full"],[
188	AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
189	AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
190	AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
191	dnl AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
192	have_debug="full"
193	],[
194	AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
195	AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
196	AC_DEFINE(QT_NO_DEBUG_OUTPUT,, ["Disable Qt debug messages."])
197	have_debug="no"
198	])
199	])
200	AC_SUBST(HAVE_DEBUG)
201
202	dnl this macro is used to get the arguments supplied
203	dnl to the configure script (./configure --enable-debug)
204	dnl Check if we have enable debug support.
205	AC_MSG_CHECKING(whether to enable internal caching/lazy evaluation)
206	AC_ARG_ENABLE(
207	[cache],
208	AS_HELP_STRING([--enable-cache],[turn on internal lazy evaluation [default=yes]]),
209	enable_cache=$enableval,
210	enable_cache="yes")
211	AC_MSG_RESULT($enable_cache)
212	AS_IF([test x"$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	])
218	AC_SUBST(HAVE_CACHE)
219
220	# Checks for libraries.
221	AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
222
223	# Pthreads
224	ACX_PTHREAD()
225
226	# Boost
227	BOOST_REQUIRE([1.40])
228
229	# Boost headers only
230	BOOST_ANY
231	BOOST_ARRAY
232	BOOST_BIMAP
233	BOOST_BIND
234	BOOST_CAST
235	BOOST_CONVERSION
236	BOOST_EXCEPTION
237	BOOST_FOREACH
238	BOOST_FUNCTION
239	BOOST_FUSION
240	BOOST_GRAPH
241	BOOST_ITERATOR
242	BOOST_MULTIARRAY
243	BOOST_MULTIINDEXCONTAINER
244	BOOST_MPL
245	BOOST_PREPROCESSOR
246	BOOST_RANDOM
247	BOOST_SMART_PTR
248	BOOST_STRING_ALGO
249	BOOST_TOKENIZER
250
251	# Boost headers with libraries
252	BOOST_FILESYSTEM
253	BOOST_IOSTREAMS
254	BOOST_PROGRAM_OPTIONS
255	AS_IF([test x"$enable_python" != x"no"], [BOOST_PYTHON])
256	BOOST_SERIALIZATION
257	BOOST_THREADS
258
259
260	# CodePatterns library (requiring UnobservedIterator)
261	compile_codepatterns="no"
262	AM_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	])
278	AC_MSG_CHECKING(whether to compile codepatterns)
279	AC_MSG_RESULT($compile_codepatterns)
280	AM_CONDITIONAL([COND_COMPILE_CODEPATTERNS], [test x"$compile_codepatterns" = x"yes"])
281
282	# JobMarket library (needs boost/archive/iserializer.hpp before MemDebug.hpp)
283	AC_MSG_CHECKING(whether to enable jobmarket)
284	AC_ARG_ENABLE(
285	[jobmarket],
286	AS_HELP_STRING([--enable-jobmarket],[turn on JobMarket feature [default=yes]]),
287	enable_jobmarket=$enableval,
288	enable_jobmarket="yes")
289	AC_MSG_RESULT($enable_jobmarket)
290	compile_jobmarket="no"
291	AC_MSG_CHECKING(whether to compile jobmarket)
292	AS_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$(top_builddir)/ThirdParty/JobMarket/src/JobMarket']
303	[JobMarket_LIBS='-lJobMarket']
304	[JobMarket_Controller_LIBS='-lJobMarketController']
305	[JobMarket_Server_LIBS='-lJobMarketServer']
306	[JobMarket_PoolWorker_LIBS='-lJobMarketPoolWorker']
307	AC_SUBST(JobMarket_CFLAGS)
308	AC_SUBST(JobMarket_LDFLAGS)
309	AC_SUBST(JobMarket_LIBS)
310	AC_SUBST(JobMarket_Controller_LIBS)
311	AC_SUBST(JobMarket_Server_LIBS)
312	AC_SUBST(JobMarket_PoolWorker_LIBS)
313	])
314	]
315	AC_MSG_RESULT($compile_jobmarket)
316	AM_CONDITIONAL([COND_COMPILE_JOBMARKET], [test x"$compile_jobmarket" = x"yes"])
317	#[
318	# AC_DEFINE(HAVE_JOBMARKET,0, ["use JobMarket to calculate fragment jobs."])
319	#]
320	)
321	AC_SUBST(HAVE_JOBMARKET)
322	AM_CONDITIONAL([CONDJOBMARKET], [test x"$enable_jobmarket" = x"yes"])
323
324	# VMG library
325	AC_MSG_CHECKING(whether to compile in long-range support via vmg)
326	AC_ARG_ENABLE(
327	[vmg],
328	[AS_HELP_STRING([--enable-vmg], [turn on long-range potential calculation via VMG [default=no]])],
329	[enable_vmg=$enableval],
330	enable_vmg="no")
331	AC_MSG_RESULT($enable_vmg)
332	compile_vmg="no"
333	AC_MSG_CHECKING(whether to compile vmg library)
334	AS_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	])
374	AC_MSG_RESULT($compile_vmg)
375	AM_CONDITIONAL([CONDVMG], [test x"$enable_vmg" = x"yes"])
376	AM_CONDITIONAL([CONDVMGMPI], [test x"$have_CXX_mpi" = x"yes"])
377	AM_CONDITIONAL([COND_COMPILE_VMG], [test x"$compile_vmg" = x"yes"])
378
379
380	# Check for Levenberg-Marquardt implementation
381	AC_MSG_CHECKING(whether to enable function fitting via levmar)
382	AC_ARG_ENABLE(
383	[levmar],
384	AS_HELP_STRING([--enable-levmar],[turn on LevMar feature [default=no]]),
385	enable_levmar=$enableval,
386	enable_levmar="no")
387	AC_MSG_RESULT($enable_levmar)
388	# don't use AS_IF here as it expands (and tests) AC_F77_FUN even if levmar
389	# is disabled.
390	compile_levmar="no"
391	AS_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	)
410	if test x"$enable_levmar" = xyes; then
411	AX_LAPACK([enable_levmar=yes],
412	[enable_levmar=no
413	AC_MSG_WARN(["Missing LAPACK, disabling off levmar"])
414	]
415	)
416	else
417	AC_CONFIG_SUBDIRS([ThirdParty/levmar])
418	compile_levmar="yes"
419	enable_levmar="yes"
420	LEVMAR_CPPFLAGS='-I$(top_srcdir)/ThirdParty/levmar/src'
421	LEVMAR_LDFLAGS='-L$(top_builddir)/ThirdParty/levmar/src'
422	LEVMAR_LIBS='-llevmar'
423	fi
424	AC_MSG_CHECKING(for levmar usability)
425	AS_IF([test x"$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."])])
430	AC_MSG_RESULT($enable_levmar)
431	AM_CONDITIONAL([CONDLEVMAR], [test x"$enable_levmar" = x"yes"])
432	AM_CONDITIONAL([COND_COMPILE_LEVMAR], [test x"$compile_levmar" = x"yes"])
433
434	# Checks for header files.
435	AC_HEADER_STDC
436	AC_CHECK_HEADERS([sys/time.h])
437	AC_HEADER_STDBOOL
438
439	AC_FUNC_MALLOC
440	AC_FUNC_REALLOC
441	AC_CHECK_FUNCS([floor pow sqrt strchr])
442
443	# Checks for typedefs, structures, and compiler characteristics.
444	AC_C_CONST
445	AC_C_INLINE
446	AC_C_RESTRICT
447	AC_TYPE_SIZE_T
448
449	# Checks for library functions.
450	# check for GNU Scientific Library
451	AC_CHECK_HEADERS([gsl/gsl_blas.h])
452	AC_SEARCH_LIBS(dnrm2, gslblas gslcblas goto blas cblas)
453	AC_SEARCH_LIBS(cblas_dnrm2, gslblas gslcblas blas cblas)
454	AC_SEARCH_LIBS(gsl_blas_dnrm2,, gsl)
455	#AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
456	AC_CHECK_LIB(gsl, main)
457
458	# use CppUnit TestRunner or not
459	AC_MSG_CHECKING(whether to enable ECut TestRunnerClient)
460	AC_ARG_ENABLE(
461	[ecut],
462	AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient [default=no]]),
463	enable_ecut=$disableval,
464	enable_ecut="no")
465	AC_MSG_RESULT($enable_ecut)
466	AS_IF([test x"$enable_ecut" = x"yes"],[
467	AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
468	AC_SUBST(HAVE_ECUT)
469	])
470	AM_CONDITIONAL([CONDECUT], [test x"$enable_ecut" = x"yes"])
471
472	# with valgrinding testsuite or not
473	AC_MSG_CHECKING(whether to enable valgrind memory checking in testsuite)
474	AC_ARG_ENABLE(
475	[valgrind],
476	AS_HELP_STRING([--enable-valgrind],[Use Valgrind on the testsuite [default=no]]),
477	enable_valgrind=$enableval,
478	enable_valgrind="no")
479	AC_MSG_RESULT($enable_valgrind)
480	AS_IF([test x"$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
499	AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
500	[ac_cv_c_extern_inline=no
501	AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
502	extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
503	double foo (double x) { return x + 1.0; };],
504	[ foo(1.0) ],
505	[ac_cv_c_extern_inline="yes"])
506	])
507
508	if test "$ac_cv_c_inline" != no ; then
509	AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
510	AC_SUBST(HAVE_INLINE)
511	fi
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
517	AC_CONFIG_FILES([
518	tests/Makefile])
519
520	AC_CONFIG_TESTDIR(tests/Calculations)
521	AC_CONFIG_FILES([
522	tests/Calculations/atlocal
523	tests/Calculations/Makefile])
524	AC_CONFIG_FILES([tests/Calculations/molecuilder], [chmod +x tests/Calculations/molecuilder])
525	AC_CONFIG_FILES([tests/Calculations/molecuilder_mpqc], [chmod +x tests/Calculations/molecuilder_mpqc])
526
527	AC_CONFIG_TESTDIR(tests/CodeChecks)
528	AC_CONFIG_FILES([
529	tests/CodeChecks/atlocal
530	tests/CodeChecks/Makefile])
531
532	AC_CONFIG_TESTDIR(tests/Fragmentations)
533	AC_CONFIG_FILES([
534	tests/Fragmentations/atlocal
535	tests/Fragmentations/Makefile])
536	AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
537
538	AC_CONFIG_TESTDIR(tests/GuiChecks)
539	AC_CONFIG_FILES([
540	tests/GuiChecks/atlocal
541	tests/GuiChecks/Makefile])
542	AC_CONFIG_FILES([tests/GuiChecks/molecuilder], [chmod +x tests/GuiChecks/molecuilder])
543	AC_CONFIG_FILES([tests/GuiChecks/molecuilderguitest], [chmod +x tests/GuiChecks/molecuilderguitest])
544	AC_CONFIG_FILES([tests/GuiChecks/adjacencymatcher], [chmod +x tests/GuiChecks/adjacencymatcher])
545	AC_CONFIG_FILES([tests/GuiChecks/trianglematcher], [chmod +x tests/GuiChecks/trianglematcher])
546
547	AC_CONFIG_TESTDIR(tests/JobMarket)
548	AC_CONFIG_FILES([
549	tests/JobMarket/atlocal
550	tests/JobMarket/Makefile])
551	AC_CONFIG_FILES([tests/JobMarket/molecuilder], [chmod +x tests/JobMarket/molecuilder])
552
553	AC_CONFIG_TESTDIR(tests/integration)
554	AC_CONFIG_FILES([
555	tests/integration/atlocal
556	tests/integration/Makefile])
557	AC_CONFIG_FILES([tests/integration/molecuilder], [chmod +x tests/integration/molecuilder])
558	AC_CONFIG_FILES([tests/integration/molecuilder_mpqc], [chmod +x tests/integration/molecuilder_mpqc])
559
560	AC_CONFIG_TESTDIR(tests/regression)
561	AC_CONFIG_FILES([
562	tests/regression/atlocal
563	tests/regression/Makefile])
564	AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
565	AC_CONFIG_FILES([tests/regression/adjacencymatcher], [chmod +x tests/regression/adjacencymatcher])
566	AC_CONFIG_FILES([tests/regression/trianglematcher], [chmod +x tests/regression/trianglematcher])
567	AC_CONFIG_FILES([tests/regression/runpython], [chmod +x tests/regression/runpython])
568
569	AC_CONFIG_TESTDIR(tests/Tesselations)
570	AC_CONFIG_FILES([
571	tests/Tesselations/atlocal
572	tests/Tesselations/Makefile])
573	AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
574	AC_CONFIG_FILES([tests/Tesselations/trianglematcher], [chmod +x tests/Tesselations/trianglematcher])
575
576	AC_CONFIG_TESTDIR(tests/Examples)
577	AC_CONFIG_FILES([
578	tests/Examples/atlocal
579	tests/Examples/Makefile])
580	AC_CONFIG_FILES([tests/Examples/molecuilder], [chmod +x tests/Examples/molecuilder])
581	AC_CONFIG_FILES([tests/Examples/molecuilder_mpqc], [chmod +x tests/Examples/molecuilder_mpqc])
582
583	AC_CONFIG_FILES([
584	doc/molecuilder.xml])
585	AC_CONFIG_FILES([
586	doc/userguide/catalog.xml:doc/userguide/catalog.xml.in])
587	AC_CONFIG_FILES([
588	MoleCuilder.pc:MoleCuilder.pc.in])
589	AC_CONFIG_FILES([
590	doc/Makefile
591	doc/userguide/Makefile
592	])
593	AC_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	])
602	AC_CONFIG_FILES([
603	src/unittests/Makefile
604	])
605
606	# produce python scripts and tests only when python's present
607	AC_CONFIG_TESTDIR([tests/Python])
608	AC_CONFIG_FILES([tests/Python/atlocal])
609	AM_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	])
614	AC_CONFIG_FILES([tests/Python/Makefile])
615
616	AC_OUTPUT

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