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Candidate_v1.7.0 stable

Last change on this file since f01bb3 was f01bb3, checked in by Frederik Heber <frederik.heber@…>, 5 years ago

CppUnit detected by pkg-config as fallback.

ubunntu 18.04 no longer has cppunit-config but relies on pkg-config to detect compilation flags.

Property mode set to 100644

File size: 20.7 KB

Rev	Line
[14de469]	1	# -- Autoconf --
	2	# Process this file with autoconf to produce a configure script.
	3
	4	AC_PREREQ(2.59)
[425516]	5	AC_INIT(MoleCuilder, 1.6.1, [bug@molecuilder.de], [molecuilder], [http://www.molecuilder.de/])
[bf4b9f]	6	AC_CONFIG_AUX_DIR([build-aux])
[14de469]	7	AC_CONFIG_SRCDIR([src/builder.cpp])
[861874]	8	AC_CONFIG_HEADER([config.h libmolecuilder_config.h])
	9	AC_CONFIG_MACRO_DIR([m4])
[4ecb2d]	10	AC_CONFIG_SUBDIRS([ThirdParty/LinearAlgebra])
[482400e]	11	AC_CONFIG_SUBDIRS([ThirdParty/mpqc_open])
[14de469]	12
[dc322a]	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)
[3b35e7]	16	AM_INIT_AUTOMAKE([dist-bzip2 1.5 parallel-tests color-tests tar-pax subdir-objects])
[14de469]	17
	18	# Checks for programs.
	19	AC_PROG_CXX
[54a746]	20	AC_PROG_INSTALL
[14de469]	21
[0cfc27]	22	# check for cppunit (taken from svn.apache.org/../xmlbeanscxx)
[f01bb3]	23	AM_PATH_CPPUNIT(1.9.6,
	24	[AM_CONDITIONAL([CPPUNIT], [true])],
	25	[
	26	PKG_CHECK_MODULES(CPPUNIT, [cppunit >= 1.9.6],
	27	[AM_CONDITIONAL([CPPUNIT], [true])],
	28	[AM_CONDITIONAL([CPPUNIT], [false])]
	29	)
	30	]
	31	)
[0cfc27]	32	AM_CONDITIONAL(CONDCPPUNIT, test "$CPPUNIT_LIBS")
	33
[c015b3]	34	dnl Check if we have enable python
[557b39]	35	# python module-
[c015b3]	36	AC_MSG_CHECKING(whether to enable python module)
[f99714]	37	AC_ARG_ENABLE(
	38	[python],
	39	AS_HELP_STRING([--enable-python],[turn on python module [default=yes]]),
	40	enable_python=$enableval,
	41	enable_python="yes")
[c015b3]	42	AC_MSG_RESULT($enable_python)
	43	AS_IF([test x"$enable_python" != x"no"],[
	44	# Python (for boost::python)
	45	AM_PATH_PYTHON([2.2])
	46	AC_DEFINE(HAVE_PYTHON,1, ["Build python module and scripts."])
	47	])
[1ca493a]	48	python_version_major=`echo $PYTHON_VERSION \| sed -e "s#$[0-9]$\..*#\1#"`
[c015b3]	49	AM_CONDITIONAL([CONDPYTHON], [test x"$enable_python" != x"no"])
[1ca493a]	50	AS_IF([test x"$python_version_major" = x"2"],[
	51	AC_DEFINE(HAVE_PYTHON2, 1, ["using python version 2"])
	52	],[test x"$python_version_major" = x"3"],[
	53	AC_DEFINE(HAVE_PYTHON3, 1, ["using python version 3"])
	54	])
[c015b3]	55	AC_SUBST(HAVE_PYTHON)
	56
[74459a]	57	dnl Check whether no extra thread for ActionQueue shall be used
	58	AC_MSG_CHECKING(whether to enable ActionQueue's run thread)
	59	AC_ARG_ENABLE(
	60	[action_thread],
	61	AS_HELP_STRING([--enable-action-thread],[turn on extra run thread for ActionQueue [default=yes]]),
	62	enable_action_thread=$enableval,
	63	enable_action_thread="no"
	64	)
	65	AC_MSG_RESULT($enable_action_thread)
	66	AS_IF([test x"$enable_action_thread" != x"no"],[
	67	AC_DEFINE(HAVE_ACTION_THREAD,1, ["Have extra run thread for ActionQueue."])
	68	])
	69	AM_CONDITIONAL([CONDACTIONTHREAD], [test x"$enable_action_thread" != x"no"])
	70	AC_SUBST(HAVE_ACTION_THREAD)
	71
[c015b3]	72	dnl Check if we have enable qtgui
[e5cec4]	73	# Qt programs
[c015b3]	74	AC_MSG_CHECKING(whether to enable Qt-based GUI)
[f99714]	75	AC_ARG_ENABLE(
	76	[qtgui],
	77	AS_HELP_STRING([--enable-qtgui],[turn on Qt GUI compilation [default=yes]]),
	78	enable_qtgui=$enableval,
	79	enable_qtgui="yes")
[c015b3]	80	AC_MSG_RESULT($enable_qtgui)
	81	AS_IF([test x"$enable_qtgui" != x"no"],[
[93909a]	82	AC_ARG_WITH(
	83	[Qt-bin],
	84	[AS_HELP_STRING([--with-Qt-bin], [give path to Qt binaries])],
	85	[have_qtgui_path=$withval],
	86	have_qtgui_path="")
[196702]	87	AS_IF([test x"$have_qtgui_path" != x""],[
	88	AC_PATH_PROGS([QT_MOC],
	89	[moc-qt4 moc],
	90	[AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])],
	91	[$have_qtgui_path]
	92	)
	93	AC_PATH_PROGS([QT_RCC],
	94	[rcc-qt4 rcc],
	95	[AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])],
	96	[$have_qtgui_path]
	97	)
	98	AC_PATH_PROGS([QT_UIC],
	99	[uic-qt4 uic],
	100	[AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])],
	101	[$have_qtgui_path]
	102	)
	103	],[
	104	AC_PATH_PROGS([QT_MOC],
	105	[moc-qt4 moc],
	106	[AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])]
	107	)
	108	AC_PATH_PROGS([QT_RCC],
	109	[rcc-qt4 rcc],
	110	[AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])]
	111	)
	112	AC_PATH_PROGS([QT_UIC],
	113	[uic-qt4 uic],
	114	[AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])]
	115	)
	116	])
[c015b3]	117	PKG_CHECK_MODULES([QT], [QtCore QtGui Qt3D], [
[a844d8]	118	:
[c015b3]	119	])
	120	AC_SUBST([QT_CFLAGS])
	121	AC_SUBST([QT_LIBS])
	122	AC_DEFINE(HAVE_QTGUI,1, ["Build Qt-based GUI"])
[e5cec4]	123	])
[c015b3]	124	AM_CONDITIONAL([CONDQTGUI], [test x"$enable_qtgui" != x"no"])
	125	AC_SUBST(HAVE_QTGUI)
[e5cec4]	126
[3d61c7]	127	dnl Check whether qtgui captures log or not
	128	AC_MSG_CHECKING(whether to capture stdout in qtgui)
	129	AC_ARG_ENABLE(
	130	[qtgui_capture_log],
	131	AS_HELP_STRING([--enable-qtgui-capture-log],[turn on capturing of log inside qtgui [default=yes]]),
	132	enable_qtgui_capture_log=$enableval,
	133	enable_qtgui_capture_log="yes"
	134	)
	135	AC_MSG_RESULT($enable_qtgui_capture_log)
	136	AS_IF([test x"$enable_qtgui_capture_log" != x"no"],[
	137	AC_DEFINE(QT_CAPTURES_LOG,1, ["Have QtGui capture the stdout."])
	138	])
	139	AC_SUBST(QT_CAPTURES_LOG)
	140
	141
[c76b8b]	142	# check additionally for QWT to enable plotting of potentials
	143	AC_MSG_CHECKING(whether to enable Qwt-based plotting)
	144	#enable_qwt=yes
	145	AC_ARG_ENABLE(
	146	[qwt],
	147	AS_HELP_STRING([--enable-qwt],[turn on Qwt compilation [default=yes]]),
	148	enable_qwt=$enableval,
	149	enable_qwt="yes")
	150	AC_MSG_RESULT($enable_qwt)
	151	AS_IF([test x"$enable_qwt" != x"no"],[
	152	MOL_AC_HAVE_QWT_IFELSE(
	153	[
	154	enable_qwt=yes
	155	AC_DEFINE(HAVE_QWT,1, ["Build Qwt-based plotting"])
	156	],
	157	[
	158	enable_qwt=no
	159	AC_MSG_WARN([Qwt not found, disabling plotting in QtUI.])
	160	]
	161	)
	162	])
	163	AM_CONDITIONAL([CONDQWT], [test x"$enable_qwt" != x"no"])
	164	AC_SUBST(HAVE_QWT)
	165
[ec188c]	166	# use doxygen
	167	DX_HTML_FEATURE(ON)
	168	DX_PS_FEATURE(OFF)
	169	DX_PDF_FEATURE(OFF)
[3158e6]	170	DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, ${docdir})
[ec188c]	171
[6029a6]	172	# use docbook
	173	AX_CHECK_DOCBOOK
	174
[ec188c]	175	# use libtool
[a0064e]	176	LT_INIT([static])
[4e8108]	177	AC_SUBST([LIBTOOL_DEPS])
[861874]	178
	179	# Define these substitions here to keep all version information in one place.
	180	# For information on how to properly maintain the library version information,
	181	# refer to the libtool manual, section "Updating library version information":
	182	# http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
[425516]	183	AC_SUBST([MOLECUILDER_SO_VERSION], [18:0:1])
	184	AC_SUBST([MOLECUILDER_API_VERSION], [1.6.1])
[06aedc]	185
[dc031c]	186	dnl this macro is used to get the arguments supplied
	187	dnl to the configure script (./configure --enable-debug)
	188	dnl Check if we have enable debug support.
	189	AC_MSG_CHECKING(whether to enable debugging)
	190	have_debug="no"
[f99714]	191	AC_ARG_ENABLE(
	192	[debug],
	193	AS_HELP_STRING([--enable-debug],[turn on debugging [default=no]]),
	194	enable_debug=$enableval,
	195	enable_debug="no")
	196	AC_MSG_RESULT($enable_debug)
	197	AS_IF([test x"$enable_debug" = x"yes"],[
[dc031c]	198	AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
	199	AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
	200	have_debug="yes"
[f99714]	201	],[
	202	AS_IF([test x"$enable_debug" = x"full"],[
	203	AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
	204	AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
	205	AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
[4d6d6a]	206	dnl AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
[f99714]	207	have_debug="full"
	208	],[
	209	AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
	210	AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
[4d6d6a]	211	AC_DEFINE(QT_NO_DEBUG_OUTPUT,, ["Disable Qt debug messages."])
[f99714]	212	have_debug="no"
	213	])
	214	])
[dc031c]	215	AC_SUBST(HAVE_DEBUG)
	216
	217	dnl this macro is used to get the arguments supplied
	218	dnl to the configure script (./configure --enable-debug)
	219	dnl Check if we have enable debug support.
[f3b8a5]	220	AC_MSG_CHECKING(whether to enable internal caching/lazy evaluation)
[f99714]	221	AC_ARG_ENABLE(
	222	[cache],
	223	AS_HELP_STRING([--enable-cache],[turn on internal lazy evaluation [default=yes]]),
	224	enable_cache=$enableval,
	225	enable_cache="yes")
[f3b8a5]	226	AC_MSG_RESULT($enable_cache)
[f99714]	227	AS_IF([test x"$enable_cache" != x"no"],[
	228	AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
	229	],[
[dc031c]	230	AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
	231	AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
[f99714]	232	])
[dc031c]	233	AC_SUBST(HAVE_CACHE)
	234
[14de469]	235	# Checks for libraries.
[861874]	236	AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
[14de469]	237
[7d0a4e]	238	# Pthreads
	239	ACX_PTHREAD()
	240
[f08ae7]	241	# Boost
[79de12]	242	BOOST_REQUIRE([1.40])
[f08ae7]	243
	244	# Boost headers only
	245	BOOST_ANY
[794bc8]	246	BOOST_ARRAY
[4f04ab8]	247	BOOST_BIMAP
[f08ae7]	248	BOOST_BIND
[503acc1]	249	BOOST_CAST
[f08ae7]	250	BOOST_CONVERSION
[79de12]	251	BOOST_EXCEPTION
[f08ae7]	252	BOOST_FOREACH
	253	BOOST_FUNCTION
[619a0e]	254	BOOST_FUSION
[4f04ab8]	255	BOOST_GRAPH
[30c753]	256	BOOST_ITERATOR
[794bc8]	257	BOOST_MULTIARRAY
[4da4de]	258	BOOST_MULTIINDEXCONTAINER
[619a0e]	259	BOOST_MPL
[f08ae7]	260	BOOST_PREPROCESSOR
	261	BOOST_RANDOM
	262	BOOST_SMART_PTR
[7f570c]	263	BOOST_STRING_ALGO
[f08ae7]	264	BOOST_TOKENIZER
	265
	266	# Boost headers with libraries
[79de12]	267	BOOST_FILESYSTEM
[d920b9]	268	BOOST_IOSTREAMS
[79de12]	269	BOOST_PROGRAM_OPTIONS
[c015b3]	270	AS_IF([test x"$enable_python" != x"no"], [BOOST_PYTHON])
[d7d022]	271	BOOST_SERIALIZATION
[79de12]	272	BOOST_THREADS
[fa861b]	273
[f08ae7]	274
[e2c2b1]	275	# CodePatterns library (requiring UnobservedIterator)
[26dc12]	276	compile_codepatterns="no"
	277	AM_PATH_CODEPATTERNS([1.3.2], $have_debug,,[
	278	# compile from ThirdParty
	279	AC_CONFIG_SUBDIRS([ThirdParty/CodePatterns])
	280	compile_codepatterns="yes"
	281	[CodePatterns_LDFLAGS='-L$(top_builddir)/ThirdParty/CodePatterns/src']
	282	[CodePatterns_CFLAGS='-I$(top_srcdir)/ThirdParty/CodePatterns/src']
	283	AS_IF([test x"$enable_debug" != x"no"], [
	284	[CodePatterns_LIBS='-lcodepatterns-debug']
	285	],[
	286	[CodePatterns_LIBS='-lcodepatterns']
	287	])
	288	AC_SUBST(CodePatterns_LDFLAGS)
	289	AC_SUBST(CodePatterns_CFLAGS)
	290	AC_SUBST(CodePatterns_LIBS)
	291	#AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])
	292	])
[79b089]	293	AC_MSG_CHECKING(whether to compile codepatterns)
	294	AC_MSG_RESULT($compile_codepatterns)
[26dc12]	295	AM_CONDITIONAL([COND_COMPILE_CODEPATTERNS], [test x"$compile_codepatterns" = x"yes"])
[3027f8]	296
[004d5c]	297	# JobMarket library (needs boost/archive/iserializer.hpp before MemDebug.hpp)
[830adf]	298	AC_MSG_CHECKING(whether to enable jobmarket)
[004d5c]	299	AC_ARG_ENABLE(
	300	[jobmarket],
	301	AS_HELP_STRING([--enable-jobmarket],[turn on JobMarket feature [default=yes]]),
	302	enable_jobmarket=$enableval,
	303	enable_jobmarket="yes")
	304	AC_MSG_RESULT($enable_jobmarket)
[2f5562]	305	compile_jobmarket="no"
[79b089]	306	AC_MSG_CHECKING(whether to compile jobmarket)
[004d5c]	307	AS_IF([test x"$enable_jobmarket" != x"no"],[
[b0af1d]	308	# the following is only required if we use JobMarket
	309	BOOST_ASIO
	310	AC_DEFINE(HAVE_JOBMARKET,1, ["use JobMarket to calculate fragment jobs."])
[d6a7b9]	311	# JobMarket library (needs SystemCommandJob with suffix)
[b0af1d]	312	AM_PATH_JOBMARKET([1.1.6], $have_debug,
	313	,[
[2f5562]	314	AC_CONFIG_SUBDIRS([ThirdParty/JobMarket])
	315	compile_jobmarket="yes"
	316	[JobMarket_CFLAGS='-I$(top_srcdir)/ThirdParty/JobMarket/src']
	317	[JobMarket_LDFLAGS='-L$(top_builddir)/ThirdParty/JobMarket/src/JobMarket']
	318	[JobMarket_LIBS='-lJobMarket']
	319	[JobMarket_Controller_LIBS='-lJobMarketController']
	320	[JobMarket_Server_LIBS='-lJobMarketServer']
	321	[JobMarket_PoolWorker_LIBS='-lJobMarketPoolWorker']
	322	AC_SUBST(JobMarket_CFLAGS)
	323	AC_SUBST(JobMarket_LDFLAGS)
	324	AC_SUBST(JobMarket_LIBS)
	325	AC_SUBST(JobMarket_Controller_LIBS)
	326	AC_SUBST(JobMarket_Server_LIBS)
	327	AC_SUBST(JobMarket_PoolWorker_LIBS)
[004d5c]	328	])
	329	]
[79b089]	330	AC_MSG_RESULT($compile_jobmarket)
[004d5c]	331	#[
	332	# AC_DEFINE(HAVE_JOBMARKET,0, ["use JobMarket to calculate fragment jobs."])
	333	#]
	334	)
	335	AC_SUBST(HAVE_JOBMARKET)
[0b738b]	336	AM_CONDITIONAL([COND_COMPILE_JOBMARKET], [test x"$compile_jobmarket" = x"yes"])
[004d5c]	337	AM_CONDITIONAL([CONDJOBMARKET], [test x"$enable_jobmarket" = x"yes"])
[3027f8]	338
[d2a0f6d]	339	# VMG library
[79b089]	340	AC_MSG_CHECKING(whether to compile in long-range support via vmg)
[d2a0f6d]	341	AC_ARG_ENABLE(
	342	[vmg],
	343	[AS_HELP_STRING([--enable-vmg], [turn on long-range potential calculation via VMG [default=no]])],
	344	[enable_vmg=$enableval],
	345	enable_vmg="no")
	346	AC_MSG_RESULT($enable_vmg)
[79b089]	347	compile_vmg="no"
	348	AC_MSG_CHECKING(whether to compile vmg library)
[d2a0f6d]	349	AS_IF([test x"$enable_vmg" != x"no"],[
[79b089]	350	PKG_CHECK_MODULES(VMG, VMG >= 0.1, [enable_vmg="yes"], [enable_vmg="no"])
	351	AS_IF([test x"$enable_vmg" = x"no"],[
	352	AC_CONFIG_SUBDIRS([ThirdParty/vmg])
	353	compile_vmg="yes"
	354	enable_vmg="yes"
	355	[VMG_CFLAGS='-I$(top_srcdir)/ThirdParty/vmg/src']
	356	[VMG_LDFLAGS='-L$(top_builddir)/ThirdParty/vmg/src']
	357	[VMG_LIBS='-lvmg']
	358	])
[d2a0f6d]	359	AC_SUBST(VMG_CFLAGS)
[79b089]	360	AC_SUBST(VMG_LDFLAGS)
[d2a0f6d]	361	AC_SUBST(VMG_LIBS)
[69c733]	362	AC_DEFINE(HAVE_VMG,1, ["use VMG to calculate long-range contributions."])
[8a8c8c]	363
	364	# check whether to use mpi
	365	AC_ARG_WITH(
	366	[vmg-mpi],
	367	[AS_HELP_STRING([--with-vmg-mpi], [whether to use MPI for communication in VMGJobs])],
	368	[with_vmg_mpi=yes],
	369	[with_vmg_mpi=no])
	370	AS_IF(
	371	[test "x$with_vmg_mpi" != xno],
	372	[
	373	AC_LANG_SAVE
	374	AC_LANG_CPLUSPLUS
	375	LX_FIND_MPI
	376	AC_LANG_RESTORE
	377	AS_IF([test "x$have_CXX_mpi" = xyes],[
	378	AC_DEFINE([MPICH_SKIP_MPICXX], [1], [Skip C++ bindings])
	379	AC_DEFINE([OMPI_SKIP_MPICXX], [1], [Skip C++ bindings])
	380	AC_DEFINE([MPI_NO_CPPBIND], [1], [Skip C++ bindings])
	381	AC_DEFINE([_MPICC_H], [1], [Skip C++ bindings])
	382	AC_DEFINE([MPIBULL_SKIP_MPICXX], [1], [Skip C++ bindings])
[27760e]	383	#ac_configure_args="$ac_configure_args --with-mpi-thread=single --with-default-parallel=mpi --with-include=\"$MPI_CXXFLAGS\" --with-libs=\"$MPI_CXXLDFLAGS\""
	384	ac_configure_args="$ac_configure_args --with-default-parallel=none"
[8a8c8c]	385	])
	386	],
	387	[])
[d2a0f6d]	388	])
[79b089]	389	AC_MSG_RESULT($compile_vmg)
[d2a0f6d]	390	AM_CONDITIONAL([CONDVMG], [test x"$enable_vmg" = x"yes"])
[8a8c8c]	391	AM_CONDITIONAL([CONDVMGMPI], [test x"$have_CXX_mpi" = x"yes"])
[79b089]	392	AM_CONDITIONAL([COND_COMPILE_VMG], [test x"$compile_vmg" = x"yes"])
[d2a0f6d]	393
	394
[f06d52]	395	# Check for Levenberg-Marquardt implementation
[830adf]	396	AC_MSG_CHECKING(whether to enable function fitting via levmar)
[48d20d]	397	AC_ARG_ENABLE(
	398	[levmar],
	399	AS_HELP_STRING([--enable-levmar],[turn on LevMar feature [default=no]]),
	400	enable_levmar=$enableval,
	401	enable_levmar="no")
[4d5dfa]	402	AC_MSG_RESULT($enable_levmar)
[b61bd5]	403	# don't use AS_IF here as it expands (and tests) AC_F77_FUN even if levmar
[4d5dfa]	404	# is disabled.
[93ea13d]	405	compile_levmar="no"
[b61bd5]	406	AS_IF([test x"$enable_levmar" = xyes],[
	407	AC_MSG_CHECKING(for levmar presence via given path )
[f06d52]	408	AC_ARG_WITH(
	409	[levmar],
	410	[AS_HELP_STRING([--with-levmar], [give path to LevMar package])],
[b61bd5]	411	[have_levmar_path=$withval
	412	enable_levmar=yes],
[93ea13d]	413	[
	414	enable_levmar=no
	415	])
[b61bd5]	416	AC_MSG_RESULT($enable_levmar)
	417	AS_IF([test -n "$have_levmar_path"],[
	418	LEVMAR_CPPFLAGS="-I${have_levmar_path}/include"
	419	LEVMAR_LDFLAGS="-L${have_levmar_path}/lib"
[93ea13d]	420	LEVMAR_LIBS="-llevmar"],
	421	[PKG_CHECK_MODULES([LEVMAR],[levmar],[enable_levmar=yes],[enable_levmar=no])
[b61bd5]	422	])
	423	],[enable_levmar=no]
	424	)
[93ea13d]	425	if test x"$enable_levmar" = xyes; then
	426	AX_LAPACK([enable_levmar=yes],
	427	[enable_levmar=no
	428	AC_MSG_WARN(["Missing LAPACK, disabling off levmar"])
	429	]
	430	)
	431	else
	432	AC_CONFIG_SUBDIRS([ThirdParty/levmar])
	433	compile_levmar="yes"
	434	enable_levmar="yes"
	435	LEVMAR_CPPFLAGS='-I$(top_srcdir)/ThirdParty/levmar/src'
	436	LEVMAR_LDFLAGS='-L$(top_builddir)/ThirdParty/levmar/src'
	437	LEVMAR_LIBS='-llevmar'
	438	fi
[b61bd5]	439	AC_MSG_CHECKING(for levmar usability)
	440	AS_IF([test x"$enable_levmar" = xyes],[
[f06d52]	441	AC_SUBST(LEVMAR_CPPFLAGS)
	442	AC_SUBST(LEVMAR_LDFLAGS)
	443	AC_SUBST(LEVMAR_LIBS)
[b61bd5]	444	AC_DEFINE(HAVE_LEVMAR,1, ["use levmar for non-linear minimisation/potential fitting."])])
	445	AC_MSG_RESULT($enable_levmar)
[f06d52]	446	AM_CONDITIONAL([CONDLEVMAR], [test x"$enable_levmar" = x"yes"])
[93ea13d]	447	AM_CONDITIONAL([COND_COMPILE_LEVMAR], [test x"$compile_levmar" = x"yes"])
[f06d52]	448
[14de469]	449	# Checks for header files.
	450	AC_HEADER_STDC
	451	AC_CHECK_HEADERS([sys/time.h])
	452	AC_HEADER_STDBOOL
	453
[d3a46d]	454	AC_FUNC_MALLOC
	455	AC_FUNC_REALLOC
	456	AC_CHECK_FUNCS([floor pow sqrt strchr])
	457
[14de469]	458	# Checks for typedefs, structures, and compiler characteristics.
	459	AC_C_CONST
	460	AC_C_INLINE
	461	AC_C_RESTRICT
	462	AC_TYPE_SIZE_T
	463
	464	# Checks for library functions.
	465	# check for GNU Scientific Library
[bd3e55]	466	AC_CHECK_HEADERS([gsl/gsl_blas.h])
[db1a72]	467	AC_SEARCH_LIBS(dnrm2, gslblas gslcblas goto blas cblas)
	468	AC_SEARCH_LIBS(cblas_dnrm2, gslblas gslcblas blas cblas)
	469	AC_SEARCH_LIBS(gsl_blas_dnrm2,, gsl)
	470	#AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
	471	AC_CHECK_LIB(gsl, main)
[14de469]	472
[490038]	473	# use CppUnit TestRunner or not
[f99714]	474	AC_MSG_CHECKING(whether to enable ECut TestRunnerClient)
	475	AC_ARG_ENABLE(
	476	[ecut],
	477	AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient [default=no]]),
	478	enable_ecut=$disableval,
	479	enable_ecut="no")
	480	AC_MSG_RESULT($enable_ecut)
	481	AS_IF([test x"$enable_ecut" = x"yes"],[
[9b6b2f]	482	AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
	483	AC_SUBST(HAVE_ECUT)
[f99714]	484	])
[fbbcde]	485	AM_CONDITIONAL([CONDECUT], [test x"$enable_ecut" = x"yes"])
[9b6b2f]	486
[490038]	487	# with valgrinding testsuite or not
[f3b8a5]	488	AC_MSG_CHECKING(whether to enable valgrind memory checking in testsuite)
[f99714]	489	AC_ARG_ENABLE(
	490	[valgrind],
	491	AS_HELP_STRING([--enable-valgrind],[Use Valgrind on the testsuite [default=no]]),
	492	enable_valgrind=$enableval,
	493	enable_valgrind="no")
	494	AC_MSG_RESULT($enable_valgrind)
	495	AS_IF([test x"$enable_valgrind" = x"yes"], [
[490038]	496	AC_CHECK_HEADER([valgrind/valgrind.h],
	497	[
	498	# check header
	499	AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
	500	# check path
	501	AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
	502	# set variables
	503	AC_SUBST(HAVE_VALGRIND_TESTSUITE)
	504	AC_SUBST(VALGRIND)
	505	],
	506	[
	507	AC_MSG_ERROR(["Valgrind support requested but headers not available."])
	508	]
	509	)
[f3b8a5]	510	])
[490038]	511
[14de469]	512	# Check for "extern inline", using a modified version
	513	# of the test for AC_C_INLINE from acspecific.mt
	514	AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
	515	[ac_cv_c_extern_inline=no
	516	AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
	517	extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
	518	double foo (double x) { return x + 1.0; };],
	519	[ foo(1.0) ],
	520	[ac_cv_c_extern_inline="yes"])
	521	])
	522
	523	if test "$ac_cv_c_inline" != no ; then
	524	AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
	525	AC_SUBST(HAVE_INLINE)
	526	fi
	527
[bd3e55]	528	#AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
[a19da5d]	529
[0ca39c]	530	# test suite
[878044]	531
[5079a0]	532	AC_CONFIG_FILES([
[689639]	533	tests/Makefile])
	534
[abfc95]	535	AC_CONFIG_TESTDIR(tests/Calculations)
	536	AC_CONFIG_FILES([
	537	tests/Calculations/atlocal
	538	tests/Calculations/Makefile])
	539	AC_CONFIG_FILES([tests/Calculations/molecuilder], [chmod +x tests/Calculations/molecuilder])
[fbf005]	540	AC_CONFIG_FILES([tests/Calculations/molecuilder_poolworker], [chmod +x tests/Calculations/molecuilder_poolworker])
[abfc95]	541
[689639]	542	AC_CONFIG_TESTDIR(tests/CodeChecks)
[d0a719]	543	AC_CONFIG_FILES([
	544	tests/CodeChecks/atlocal
	545	tests/CodeChecks/Makefile])
[689639]	546
[740d40]	547	AC_CONFIG_TESTDIR(tests/Fragmentations)
[038713]	548	AC_CONFIG_FILES([
[740d40]	549	tests/Fragmentations/atlocal
	550	tests/Fragmentations/Makefile])
	551	AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
[689639]	552
[0f0407]	553	AC_CONFIG_TESTDIR(tests/GuiChecks)
	554	AC_CONFIG_FILES([
	555	tests/GuiChecks/atlocal
	556	tests/GuiChecks/Makefile])
	557	AC_CONFIG_FILES([tests/GuiChecks/molecuilder], [chmod +x tests/GuiChecks/molecuilder])
	558	AC_CONFIG_FILES([tests/GuiChecks/molecuilderguitest], [chmod +x tests/GuiChecks/molecuilderguitest])
[c66ae6]	559	AC_CONFIG_FILES([tests/GuiChecks/adjacencymatcher], [chmod +x tests/GuiChecks/adjacencymatcher])
[b10593]	560	AC_CONFIG_FILES([tests/GuiChecks/difffragmentresultcontainer], [chmod +x tests/GuiChecks/difffragmentresultcontainer])
[42b40a]	561	AC_CONFIG_FILES([tests/GuiChecks/trianglematcher], [chmod +x tests/GuiChecks/trianglematcher])
[0f0407]	562
[004d5c]	563	AC_CONFIG_TESTDIR(tests/JobMarket)
	564	AC_CONFIG_FILES([
	565	tests/JobMarket/atlocal
	566	tests/JobMarket/Makefile])
	567	AC_CONFIG_FILES([tests/JobMarket/molecuilder], [chmod +x tests/JobMarket/molecuilder])
	568
[83fa5c]	569	AC_CONFIG_TESTDIR(tests/integration)
	570	AC_CONFIG_FILES([
	571	tests/integration/atlocal
	572	tests/integration/Makefile])
	573	AC_CONFIG_FILES([tests/integration/molecuilder], [chmod +x tests/integration/molecuilder])
[fbf005]	574	AC_CONFIG_FILES([tests/integration/molecuilder_poolworker], [chmod +x tests/integration/molecuilder_poolworker])
[83fa5c]	575
[689639]	576	AC_CONFIG_TESTDIR(tests/regression)
	577	AC_CONFIG_FILES([
	578	tests/regression/atlocal
	579	tests/regression/Makefile])
	580	AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
[c66ae6]	581	AC_CONFIG_FILES([tests/regression/adjacencymatcher], [chmod +x tests/regression/adjacencymatcher])
[557b39]	582	AC_CONFIG_FILES([tests/regression/difffragmentresultcontainer], [chmod +x tests/regression/difffragmentresultcontainer])
[7d146a]	583	AC_CONFIG_FILES([tests/regression/trianglematcher], [chmod +x tests/regression/trianglematcher])
[893426]	584	AC_CONFIG_FILES([tests/regression/runpython], [chmod +x tests/regression/runpython])
[689639]	585
	586	AC_CONFIG_TESTDIR(tests/Tesselations)
[5079a0]	587	AC_CONFIG_FILES([
[a85f45]	588	tests/Tesselations/atlocal
	589	tests/Tesselations/Makefile])
	590	AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
[7d146a]	591	AC_CONFIG_FILES([tests/Tesselations/trianglematcher], [chmod +x tests/Tesselations/trianglematcher])
[689639]	592
[4464ef]	593	AC_CONFIG_TESTDIR(tests/Examples)
	594	AC_CONFIG_FILES([
	595	tests/Examples/atlocal
	596	tests/Examples/Makefile])
	597	AC_CONFIG_FILES([tests/Examples/molecuilder], [chmod +x tests/Examples/molecuilder])
[fbf005]	598	AC_CONFIG_FILES([tests/Examples/molecuilder_poolworker], [chmod +x tests/Examples/molecuilder_poolworker])
[4464ef]	599
[5079a0]	600	AC_CONFIG_FILES([
	601	doc/molecuilder.xml])
[6029a6]	602	AC_CONFIG_FILES([
	603	doc/userguide/catalog.xml:doc/userguide/catalog.xml.in])
[861874]	604	AC_CONFIG_FILES([
[878044]	605	MoleCuilder.pc:MoleCuilder.pc.in])
[5079a0]	606	AC_CONFIG_FILES([
[ec188c]	607	doc/Makefile
[6029a6]	608	doc/userguide/Makefile
	609	])
	610	AC_CONFIG_FILES([
	611	Makefile
[7672284]	612	python/Makefile
[938ffd]	613	src/Makefile
[c66ae6]	614	src/Bond/AdjacencyMatcher/Makefile
[7d146a]	615	src/Tesselation/TriangleMatcher/Makefile
[6e12a6]	616	ThirdParty/Makefile
[5b991a]	617	data/icons/Makefile
[04e1fb]	618	utils/Makefile
[85949a]	619	])
	620	AC_CONFIG_FILES([
[878044]	621	src/unittests/Makefile
[85949a]	622	])
[d0b3aca]	623
[c015b3]	624	# produce python scripts and tests only when python's present
[24e19e]	625	AC_CONFIG_TESTDIR([tests/Python])
	626	AC_CONFIG_FILES([tests/Python/atlocal])
[c015b3]	627	AM_COND_IF([CONDPYTHON],[
[9fd196]	628	AC_CONFIG_FILES([utils/Python/boxmaker.py:utils/Python/boxmaker.py.in], [chmod +x utils/Python/boxmaker.py])
	629	AC_CONFIG_FILES([utils/Python/python_wrapper:utils/Python/python_wrapper.in], [chmod +x utils/Python/python_wrapper])
[c015b3]	630	AC_CONFIG_FILES([tests/Python/run], [chmod +x tests/Python/run])
	631	])
[24e19e]	632	AC_CONFIG_FILES([tests/Python/Makefile])
[d0b3aca]	633
[14de469]	634	AC_OUTPUT

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