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Candidate_v1.7.0 stable

Last change on this file since 1ca493a was 1ca493a, checked in by Frederik Heber <frederik.heber@…>, 5 years ago

Allowing python3 usage.

Init function name changes on python2/3.
added test and AC_DEFINEs to configure.ac.
PythonScripting branches on these preprocessor defines.
removed ax_python.m4.
FIX: boost.m4 overwrites BOOST_PYTHON_LIBS pulled from python-config which caused the issues with ax_python.m4 and boost.m4 checking for different python versions. Added BOOST_PYTHON_LIB which contains the python libs needed.

Property mode set to 100644

File size: 20.4 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)
	23	AM_PATH_CPPUNIT(1.9.6)
	24	AM_CONDITIONAL(CONDCPPUNIT, test "$CPPUNIT_LIBS")
	25
[c015b3]	26	dnl Check if we have enable python
[557b39]	27	# python module-
[c015b3]	28	AC_MSG_CHECKING(whether to enable python module)
[f99714]	29	AC_ARG_ENABLE(
	30	[python],
	31	AS_HELP_STRING([--enable-python],[turn on python module [default=yes]]),
	32	enable_python=$enableval,
	33	enable_python="yes")
[c015b3]	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	AC_DEFINE(HAVE_PYTHON,1, ["Build python module and scripts."])
	39	])
[1ca493a]	40	python_version_major=`echo $PYTHON_VERSION \| sed -e "s#$[0-9]$\..*#\1#"`
[c015b3]	41	AM_CONDITIONAL([CONDPYTHON], [test x"$enable_python" != x"no"])
[1ca493a]	42	AS_IF([test x"$python_version_major" = x"2"],[
	43	AC_DEFINE(HAVE_PYTHON2, 1, ["using python version 2"])
	44	],[test x"$python_version_major" = x"3"],[
	45	AC_DEFINE(HAVE_PYTHON3, 1, ["using python version 3"])
	46	])
[c015b3]	47	AC_SUBST(HAVE_PYTHON)
	48
[74459a]	49	dnl Check whether no extra thread for ActionQueue shall be used
	50	AC_MSG_CHECKING(whether to enable ActionQueue's run thread)
	51	AC_ARG_ENABLE(
	52	[action_thread],
	53	AS_HELP_STRING([--enable-action-thread],[turn on extra run thread for ActionQueue [default=yes]]),
	54	enable_action_thread=$enableval,
	55	enable_action_thread="no"
	56	)
	57	AC_MSG_RESULT($enable_action_thread)
	58	AS_IF([test x"$enable_action_thread" != x"no"],[
	59	AC_DEFINE(HAVE_ACTION_THREAD,1, ["Have extra run thread for ActionQueue."])
	60	])
	61	AM_CONDITIONAL([CONDACTIONTHREAD], [test x"$enable_action_thread" != x"no"])
	62	AC_SUBST(HAVE_ACTION_THREAD)
	63
[c015b3]	64	dnl Check if we have enable qtgui
[e5cec4]	65	# Qt programs
[c015b3]	66	AC_MSG_CHECKING(whether to enable Qt-based GUI)
[f99714]	67	AC_ARG_ENABLE(
	68	[qtgui],
	69	AS_HELP_STRING([--enable-qtgui],[turn on Qt GUI compilation [default=yes]]),
	70	enable_qtgui=$enableval,
	71	enable_qtgui="yes")
[c015b3]	72	AC_MSG_RESULT($enable_qtgui)
	73	AS_IF([test x"$enable_qtgui" != x"no"],[
[93909a]	74	AC_ARG_WITH(
	75	[Qt-bin],
	76	[AS_HELP_STRING([--with-Qt-bin], [give path to Qt binaries])],
	77	[have_qtgui_path=$withval],
	78	have_qtgui_path="")
[196702]	79	AS_IF([test x"$have_qtgui_path" != x""],[
	80	AC_PATH_PROGS([QT_MOC],
	81	[moc-qt4 moc],
	82	[AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])],
	83	[$have_qtgui_path]
	84	)
	85	AC_PATH_PROGS([QT_RCC],
	86	[rcc-qt4 rcc],
	87	[AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])],
	88	[$have_qtgui_path]
	89	)
	90	AC_PATH_PROGS([QT_UIC],
	91	[uic-qt4 uic],
	92	[AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])],
	93	[$have_qtgui_path]
	94	)
	95	],[
	96	AC_PATH_PROGS([QT_MOC],
	97	[moc-qt4 moc],
	98	[AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])]
	99	)
	100	AC_PATH_PROGS([QT_RCC],
	101	[rcc-qt4 rcc],
	102	[AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])]
	103	)
	104	AC_PATH_PROGS([QT_UIC],
	105	[uic-qt4 uic],
	106	[AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])]
	107	)
	108	])
[c015b3]	109	PKG_CHECK_MODULES([QT], [QtCore QtGui Qt3D], [
[a844d8]	110	:
[c015b3]	111	])
	112	AC_SUBST([QT_CFLAGS])
	113	AC_SUBST([QT_LIBS])
	114	AC_DEFINE(HAVE_QTGUI,1, ["Build Qt-based GUI"])
[e5cec4]	115	])
[c015b3]	116	AM_CONDITIONAL([CONDQTGUI], [test x"$enable_qtgui" != x"no"])
	117	AC_SUBST(HAVE_QTGUI)
[e5cec4]	118
[3d61c7]	119	dnl Check whether qtgui captures log or not
	120	AC_MSG_CHECKING(whether to capture stdout in qtgui)
	121	AC_ARG_ENABLE(
	122	[qtgui_capture_log],
	123	AS_HELP_STRING([--enable-qtgui-capture-log],[turn on capturing of log inside qtgui [default=yes]]),
	124	enable_qtgui_capture_log=$enableval,
	125	enable_qtgui_capture_log="yes"
	126	)
	127	AC_MSG_RESULT($enable_qtgui_capture_log)
	128	AS_IF([test x"$enable_qtgui_capture_log" != x"no"],[
	129	AC_DEFINE(QT_CAPTURES_LOG,1, ["Have QtGui capture the stdout."])
	130	])
	131	AC_SUBST(QT_CAPTURES_LOG)
	132
	133
[c76b8b]	134	# check additionally for QWT to enable plotting of potentials
	135	AC_MSG_CHECKING(whether to enable Qwt-based plotting)
	136	#enable_qwt=yes
	137	AC_ARG_ENABLE(
	138	[qwt],
	139	AS_HELP_STRING([--enable-qwt],[turn on Qwt compilation [default=yes]]),
	140	enable_qwt=$enableval,
	141	enable_qwt="yes")
	142	AC_MSG_RESULT($enable_qwt)
	143	AS_IF([test x"$enable_qwt" != x"no"],[
	144	MOL_AC_HAVE_QWT_IFELSE(
	145	[
	146	enable_qwt=yes
	147	AC_DEFINE(HAVE_QWT,1, ["Build Qwt-based plotting"])
	148	],
	149	[
	150	enable_qwt=no
	151	AC_MSG_WARN([Qwt not found, disabling plotting in QtUI.])
	152	]
	153	)
	154	])
	155	AM_CONDITIONAL([CONDQWT], [test x"$enable_qwt" != x"no"])
	156	AC_SUBST(HAVE_QWT)
	157
[ec188c]	158	# use doxygen
	159	DX_HTML_FEATURE(ON)
	160	DX_PS_FEATURE(OFF)
	161	DX_PDF_FEATURE(OFF)
[3158e6]	162	DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, ${docdir})
[ec188c]	163
[6029a6]	164	# use docbook
	165	AX_CHECK_DOCBOOK
	166
[ec188c]	167	# use libtool
[a0064e]	168	LT_INIT([static])
[4e8108]	169	AC_SUBST([LIBTOOL_DEPS])
[861874]	170
	171	# Define these substitions here to keep all version information in one place.
	172	# For information on how to properly maintain the library version information,
	173	# refer to the libtool manual, section "Updating library version information":
	174	# http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
[425516]	175	AC_SUBST([MOLECUILDER_SO_VERSION], [18:0:1])
	176	AC_SUBST([MOLECUILDER_API_VERSION], [1.6.1])
[06aedc]	177
[dc031c]	178	dnl this macro is used to get the arguments supplied
	179	dnl to the configure script (./configure --enable-debug)
	180	dnl Check if we have enable debug support.
	181	AC_MSG_CHECKING(whether to enable debugging)
	182	have_debug="no"
[f99714]	183	AC_ARG_ENABLE(
	184	[debug],
	185	AS_HELP_STRING([--enable-debug],[turn on debugging [default=no]]),
	186	enable_debug=$enableval,
	187	enable_debug="no")
	188	AC_MSG_RESULT($enable_debug)
	189	AS_IF([test x"$enable_debug" = x"yes"],[
[dc031c]	190	AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
	191	AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
	192	have_debug="yes"
[f99714]	193	],[
	194	AS_IF([test x"$enable_debug" = x"full"],[
	195	AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
	196	AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
	197	AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
[4d6d6a]	198	dnl AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
[f99714]	199	have_debug="full"
	200	],[
	201	AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
	202	AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
[4d6d6a]	203	AC_DEFINE(QT_NO_DEBUG_OUTPUT,, ["Disable Qt debug messages."])
[f99714]	204	have_debug="no"
	205	])
	206	])
[dc031c]	207	AC_SUBST(HAVE_DEBUG)
	208
	209	dnl this macro is used to get the arguments supplied
	210	dnl to the configure script (./configure --enable-debug)
	211	dnl Check if we have enable debug support.
[f3b8a5]	212	AC_MSG_CHECKING(whether to enable internal caching/lazy evaluation)
[f99714]	213	AC_ARG_ENABLE(
	214	[cache],
	215	AS_HELP_STRING([--enable-cache],[turn on internal lazy evaluation [default=yes]]),
	216	enable_cache=$enableval,
	217	enable_cache="yes")
[f3b8a5]	218	AC_MSG_RESULT($enable_cache)
[f99714]	219	AS_IF([test x"$enable_cache" != x"no"],[
	220	AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
	221	],[
[dc031c]	222	AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
	223	AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
[f99714]	224	])
[dc031c]	225	AC_SUBST(HAVE_CACHE)
	226
[14de469]	227	# Checks for libraries.
[861874]	228	AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
[14de469]	229
[7d0a4e]	230	# Pthreads
	231	ACX_PTHREAD()
	232
[f08ae7]	233	# Boost
[79de12]	234	BOOST_REQUIRE([1.40])
[f08ae7]	235
	236	# Boost headers only
	237	BOOST_ANY
[794bc8]	238	BOOST_ARRAY
[4f04ab8]	239	BOOST_BIMAP
[f08ae7]	240	BOOST_BIND
[503acc1]	241	BOOST_CAST
[f08ae7]	242	BOOST_CONVERSION
[79de12]	243	BOOST_EXCEPTION
[f08ae7]	244	BOOST_FOREACH
	245	BOOST_FUNCTION
[619a0e]	246	BOOST_FUSION
[4f04ab8]	247	BOOST_GRAPH
[30c753]	248	BOOST_ITERATOR
[794bc8]	249	BOOST_MULTIARRAY
[4da4de]	250	BOOST_MULTIINDEXCONTAINER
[619a0e]	251	BOOST_MPL
[f08ae7]	252	BOOST_PREPROCESSOR
	253	BOOST_RANDOM
	254	BOOST_SMART_PTR
[7f570c]	255	BOOST_STRING_ALGO
[f08ae7]	256	BOOST_TOKENIZER
	257
	258	# Boost headers with libraries
[79de12]	259	BOOST_FILESYSTEM
[d920b9]	260	BOOST_IOSTREAMS
[79de12]	261	BOOST_PROGRAM_OPTIONS
[c015b3]	262	AS_IF([test x"$enable_python" != x"no"], [BOOST_PYTHON])
[d7d022]	263	BOOST_SERIALIZATION
[79de12]	264	BOOST_THREADS
[fa861b]	265
[f08ae7]	266
[e2c2b1]	267	# CodePatterns library (requiring UnobservedIterator)
[26dc12]	268	compile_codepatterns="no"
	269	AM_PATH_CODEPATTERNS([1.3.2], $have_debug,,[
	270	# compile from ThirdParty
	271	AC_CONFIG_SUBDIRS([ThirdParty/CodePatterns])
	272	compile_codepatterns="yes"
	273	[CodePatterns_LDFLAGS='-L$(top_builddir)/ThirdParty/CodePatterns/src']
	274	[CodePatterns_CFLAGS='-I$(top_srcdir)/ThirdParty/CodePatterns/src']
	275	AS_IF([test x"$enable_debug" != x"no"], [
	276	[CodePatterns_LIBS='-lcodepatterns-debug']
	277	],[
	278	[CodePatterns_LIBS='-lcodepatterns']
	279	])
	280	AC_SUBST(CodePatterns_LDFLAGS)
	281	AC_SUBST(CodePatterns_CFLAGS)
	282	AC_SUBST(CodePatterns_LIBS)
	283	#AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])
	284	])
[79b089]	285	AC_MSG_CHECKING(whether to compile codepatterns)
	286	AC_MSG_RESULT($compile_codepatterns)
[26dc12]	287	AM_CONDITIONAL([COND_COMPILE_CODEPATTERNS], [test x"$compile_codepatterns" = x"yes"])
[3027f8]	288
[004d5c]	289	# JobMarket library (needs boost/archive/iserializer.hpp before MemDebug.hpp)
[830adf]	290	AC_MSG_CHECKING(whether to enable jobmarket)
[004d5c]	291	AC_ARG_ENABLE(
	292	[jobmarket],
	293	AS_HELP_STRING([--enable-jobmarket],[turn on JobMarket feature [default=yes]]),
	294	enable_jobmarket=$enableval,
	295	enable_jobmarket="yes")
	296	AC_MSG_RESULT($enable_jobmarket)
[2f5562]	297	compile_jobmarket="no"
[79b089]	298	AC_MSG_CHECKING(whether to compile jobmarket)
[004d5c]	299	AS_IF([test x"$enable_jobmarket" != x"no"],[
[b0af1d]	300	# the following is only required if we use JobMarket
	301	BOOST_ASIO
	302	AC_DEFINE(HAVE_JOBMARKET,1, ["use JobMarket to calculate fragment jobs."])
[d6a7b9]	303	# JobMarket library (needs SystemCommandJob with suffix)
[b0af1d]	304	AM_PATH_JOBMARKET([1.1.6], $have_debug,
	305	,[
[2f5562]	306	AC_CONFIG_SUBDIRS([ThirdParty/JobMarket])
	307	compile_jobmarket="yes"
	308	[JobMarket_CFLAGS='-I$(top_srcdir)/ThirdParty/JobMarket/src']
	309	[JobMarket_LDFLAGS='-L$(top_builddir)/ThirdParty/JobMarket/src/JobMarket']
	310	[JobMarket_LIBS='-lJobMarket']
	311	[JobMarket_Controller_LIBS='-lJobMarketController']
	312	[JobMarket_Server_LIBS='-lJobMarketServer']
	313	[JobMarket_PoolWorker_LIBS='-lJobMarketPoolWorker']
	314	AC_SUBST(JobMarket_CFLAGS)
	315	AC_SUBST(JobMarket_LDFLAGS)
	316	AC_SUBST(JobMarket_LIBS)
	317	AC_SUBST(JobMarket_Controller_LIBS)
	318	AC_SUBST(JobMarket_Server_LIBS)
	319	AC_SUBST(JobMarket_PoolWorker_LIBS)
[004d5c]	320	])
	321	]
[79b089]	322	AC_MSG_RESULT($compile_jobmarket)
[004d5c]	323	#[
	324	# AC_DEFINE(HAVE_JOBMARKET,0, ["use JobMarket to calculate fragment jobs."])
	325	#]
	326	)
	327	AC_SUBST(HAVE_JOBMARKET)
[0b738b]	328	AM_CONDITIONAL([COND_COMPILE_JOBMARKET], [test x"$compile_jobmarket" = x"yes"])
[004d5c]	329	AM_CONDITIONAL([CONDJOBMARKET], [test x"$enable_jobmarket" = x"yes"])
[3027f8]	330
[d2a0f6d]	331	# VMG library
[79b089]	332	AC_MSG_CHECKING(whether to compile in long-range support via vmg)
[d2a0f6d]	333	AC_ARG_ENABLE(
	334	[vmg],
	335	[AS_HELP_STRING([--enable-vmg], [turn on long-range potential calculation via VMG [default=no]])],
	336	[enable_vmg=$enableval],
	337	enable_vmg="no")
	338	AC_MSG_RESULT($enable_vmg)
[79b089]	339	compile_vmg="no"
	340	AC_MSG_CHECKING(whether to compile vmg library)
[d2a0f6d]	341	AS_IF([test x"$enable_vmg" != x"no"],[
[79b089]	342	PKG_CHECK_MODULES(VMG, VMG >= 0.1, [enable_vmg="yes"], [enable_vmg="no"])
	343	AS_IF([test x"$enable_vmg" = x"no"],[
	344	AC_CONFIG_SUBDIRS([ThirdParty/vmg])
	345	compile_vmg="yes"
	346	enable_vmg="yes"
	347	[VMG_CFLAGS='-I$(top_srcdir)/ThirdParty/vmg/src']
	348	[VMG_LDFLAGS='-L$(top_builddir)/ThirdParty/vmg/src']
	349	[VMG_LIBS='-lvmg']
	350	])
[d2a0f6d]	351	AC_SUBST(VMG_CFLAGS)
[79b089]	352	AC_SUBST(VMG_LDFLAGS)
[d2a0f6d]	353	AC_SUBST(VMG_LIBS)
[69c733]	354	AC_DEFINE(HAVE_VMG,1, ["use VMG to calculate long-range contributions."])
[8a8c8c]	355
	356	# check whether to use mpi
	357	AC_ARG_WITH(
	358	[vmg-mpi],
	359	[AS_HELP_STRING([--with-vmg-mpi], [whether to use MPI for communication in VMGJobs])],
	360	[with_vmg_mpi=yes],
	361	[with_vmg_mpi=no])
	362	AS_IF(
	363	[test "x$with_vmg_mpi" != xno],
	364	[
	365	AC_LANG_SAVE
	366	AC_LANG_CPLUSPLUS
	367	LX_FIND_MPI
	368	AC_LANG_RESTORE
	369	AS_IF([test "x$have_CXX_mpi" = xyes],[
	370	AC_DEFINE([MPICH_SKIP_MPICXX], [1], [Skip C++ bindings])
	371	AC_DEFINE([OMPI_SKIP_MPICXX], [1], [Skip C++ bindings])
	372	AC_DEFINE([MPI_NO_CPPBIND], [1], [Skip C++ bindings])
	373	AC_DEFINE([_MPICC_H], [1], [Skip C++ bindings])
	374	AC_DEFINE([MPIBULL_SKIP_MPICXX], [1], [Skip C++ bindings])
[27760e]	375	#ac_configure_args="$ac_configure_args --with-mpi-thread=single --with-default-parallel=mpi --with-include=\"$MPI_CXXFLAGS\" --with-libs=\"$MPI_CXXLDFLAGS\""
	376	ac_configure_args="$ac_configure_args --with-default-parallel=none"
[8a8c8c]	377	])
	378	],
	379	[])
[d2a0f6d]	380	])
[79b089]	381	AC_MSG_RESULT($compile_vmg)
[d2a0f6d]	382	AM_CONDITIONAL([CONDVMG], [test x"$enable_vmg" = x"yes"])
[8a8c8c]	383	AM_CONDITIONAL([CONDVMGMPI], [test x"$have_CXX_mpi" = x"yes"])
[79b089]	384	AM_CONDITIONAL([COND_COMPILE_VMG], [test x"$compile_vmg" = x"yes"])
[d2a0f6d]	385
	386
[f06d52]	387	# Check for Levenberg-Marquardt implementation
[830adf]	388	AC_MSG_CHECKING(whether to enable function fitting via levmar)
[48d20d]	389	AC_ARG_ENABLE(
	390	[levmar],
	391	AS_HELP_STRING([--enable-levmar],[turn on LevMar feature [default=no]]),
	392	enable_levmar=$enableval,
	393	enable_levmar="no")
[4d5dfa]	394	AC_MSG_RESULT($enable_levmar)
[b61bd5]	395	# don't use AS_IF here as it expands (and tests) AC_F77_FUN even if levmar
[4d5dfa]	396	# is disabled.
[93ea13d]	397	compile_levmar="no"
[b61bd5]	398	AS_IF([test x"$enable_levmar" = xyes],[
	399	AC_MSG_CHECKING(for levmar presence via given path )
[f06d52]	400	AC_ARG_WITH(
	401	[levmar],
	402	[AS_HELP_STRING([--with-levmar], [give path to LevMar package])],
[b61bd5]	403	[have_levmar_path=$withval
	404	enable_levmar=yes],
[93ea13d]	405	[
	406	enable_levmar=no
	407	])
[b61bd5]	408	AC_MSG_RESULT($enable_levmar)
	409	AS_IF([test -n "$have_levmar_path"],[
	410	LEVMAR_CPPFLAGS="-I${have_levmar_path}/include"
	411	LEVMAR_LDFLAGS="-L${have_levmar_path}/lib"
[93ea13d]	412	LEVMAR_LIBS="-llevmar"],
	413	[PKG_CHECK_MODULES([LEVMAR],[levmar],[enable_levmar=yes],[enable_levmar=no])
[b61bd5]	414	])
	415	],[enable_levmar=no]
	416	)
[93ea13d]	417	if test x"$enable_levmar" = xyes; then
	418	AX_LAPACK([enable_levmar=yes],
	419	[enable_levmar=no
	420	AC_MSG_WARN(["Missing LAPACK, disabling off levmar"])
	421	]
	422	)
	423	else
	424	AC_CONFIG_SUBDIRS([ThirdParty/levmar])
	425	compile_levmar="yes"
	426	enable_levmar="yes"
	427	LEVMAR_CPPFLAGS='-I$(top_srcdir)/ThirdParty/levmar/src'
	428	LEVMAR_LDFLAGS='-L$(top_builddir)/ThirdParty/levmar/src'
	429	LEVMAR_LIBS='-llevmar'
	430	fi
[b61bd5]	431	AC_MSG_CHECKING(for levmar usability)
	432	AS_IF([test x"$enable_levmar" = xyes],[
[f06d52]	433	AC_SUBST(LEVMAR_CPPFLAGS)
	434	AC_SUBST(LEVMAR_LDFLAGS)
	435	AC_SUBST(LEVMAR_LIBS)
[b61bd5]	436	AC_DEFINE(HAVE_LEVMAR,1, ["use levmar for non-linear minimisation/potential fitting."])])
	437	AC_MSG_RESULT($enable_levmar)
[f06d52]	438	AM_CONDITIONAL([CONDLEVMAR], [test x"$enable_levmar" = x"yes"])
[93ea13d]	439	AM_CONDITIONAL([COND_COMPILE_LEVMAR], [test x"$compile_levmar" = x"yes"])
[f06d52]	440
[14de469]	441	# Checks for header files.
	442	AC_HEADER_STDC
	443	AC_CHECK_HEADERS([sys/time.h])
	444	AC_HEADER_STDBOOL
	445
[d3a46d]	446	AC_FUNC_MALLOC
	447	AC_FUNC_REALLOC
	448	AC_CHECK_FUNCS([floor pow sqrt strchr])
	449
[14de469]	450	# Checks for typedefs, structures, and compiler characteristics.
	451	AC_C_CONST
	452	AC_C_INLINE
	453	AC_C_RESTRICT
	454	AC_TYPE_SIZE_T
	455
	456	# Checks for library functions.
	457	# check for GNU Scientific Library
[bd3e55]	458	AC_CHECK_HEADERS([gsl/gsl_blas.h])
[db1a72]	459	AC_SEARCH_LIBS(dnrm2, gslblas gslcblas goto blas cblas)
	460	AC_SEARCH_LIBS(cblas_dnrm2, gslblas gslcblas blas cblas)
	461	AC_SEARCH_LIBS(gsl_blas_dnrm2,, gsl)
	462	#AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
	463	AC_CHECK_LIB(gsl, main)
[14de469]	464
[490038]	465	# use CppUnit TestRunner or not
[f99714]	466	AC_MSG_CHECKING(whether to enable ECut TestRunnerClient)
	467	AC_ARG_ENABLE(
	468	[ecut],
	469	AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient [default=no]]),
	470	enable_ecut=$disableval,
	471	enable_ecut="no")
	472	AC_MSG_RESULT($enable_ecut)
	473	AS_IF([test x"$enable_ecut" = x"yes"],[
[9b6b2f]	474	AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
	475	AC_SUBST(HAVE_ECUT)
[f99714]	476	])
[fbbcde]	477	AM_CONDITIONAL([CONDECUT], [test x"$enable_ecut" = x"yes"])
[9b6b2f]	478
[490038]	479	# with valgrinding testsuite or not
[f3b8a5]	480	AC_MSG_CHECKING(whether to enable valgrind memory checking in testsuite)
[f99714]	481	AC_ARG_ENABLE(
	482	[valgrind],
	483	AS_HELP_STRING([--enable-valgrind],[Use Valgrind on the testsuite [default=no]]),
	484	enable_valgrind=$enableval,
	485	enable_valgrind="no")
	486	AC_MSG_RESULT($enable_valgrind)
	487	AS_IF([test x"$enable_valgrind" = x"yes"], [
[490038]	488	AC_CHECK_HEADER([valgrind/valgrind.h],
	489	[
	490	# check header
	491	AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
	492	# check path
	493	AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
	494	# set variables
	495	AC_SUBST(HAVE_VALGRIND_TESTSUITE)
	496	AC_SUBST(VALGRIND)
	497	],
	498	[
	499	AC_MSG_ERROR(["Valgrind support requested but headers not available."])
	500	]
	501	)
[f3b8a5]	502	])
[490038]	503
[14de469]	504	# Check for "extern inline", using a modified version
	505	# of the test for AC_C_INLINE from acspecific.mt
	506	AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
	507	[ac_cv_c_extern_inline=no
	508	AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
	509	extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
	510	double foo (double x) { return x + 1.0; };],
	511	[ foo(1.0) ],
	512	[ac_cv_c_extern_inline="yes"])
	513	])
	514
	515	if test "$ac_cv_c_inline" != no ; then
	516	AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
	517	AC_SUBST(HAVE_INLINE)
	518	fi
	519
[bd3e55]	520	#AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
[a19da5d]	521
[0ca39c]	522	# test suite
[878044]	523
[5079a0]	524	AC_CONFIG_FILES([
[689639]	525	tests/Makefile])
	526
[abfc95]	527	AC_CONFIG_TESTDIR(tests/Calculations)
	528	AC_CONFIG_FILES([
	529	tests/Calculations/atlocal
	530	tests/Calculations/Makefile])
	531	AC_CONFIG_FILES([tests/Calculations/molecuilder], [chmod +x tests/Calculations/molecuilder])
[fbf005]	532	AC_CONFIG_FILES([tests/Calculations/molecuilder_poolworker], [chmod +x tests/Calculations/molecuilder_poolworker])
[abfc95]	533
[689639]	534	AC_CONFIG_TESTDIR(tests/CodeChecks)
[d0a719]	535	AC_CONFIG_FILES([
	536	tests/CodeChecks/atlocal
	537	tests/CodeChecks/Makefile])
[689639]	538
[740d40]	539	AC_CONFIG_TESTDIR(tests/Fragmentations)
[038713]	540	AC_CONFIG_FILES([
[740d40]	541	tests/Fragmentations/atlocal
	542	tests/Fragmentations/Makefile])
	543	AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
[689639]	544
[0f0407]	545	AC_CONFIG_TESTDIR(tests/GuiChecks)
	546	AC_CONFIG_FILES([
	547	tests/GuiChecks/atlocal
	548	tests/GuiChecks/Makefile])
	549	AC_CONFIG_FILES([tests/GuiChecks/molecuilder], [chmod +x tests/GuiChecks/molecuilder])
	550	AC_CONFIG_FILES([tests/GuiChecks/molecuilderguitest], [chmod +x tests/GuiChecks/molecuilderguitest])
[c66ae6]	551	AC_CONFIG_FILES([tests/GuiChecks/adjacencymatcher], [chmod +x tests/GuiChecks/adjacencymatcher])
[b10593]	552	AC_CONFIG_FILES([tests/GuiChecks/difffragmentresultcontainer], [chmod +x tests/GuiChecks/difffragmentresultcontainer])
[42b40a]	553	AC_CONFIG_FILES([tests/GuiChecks/trianglematcher], [chmod +x tests/GuiChecks/trianglematcher])
[0f0407]	554
[004d5c]	555	AC_CONFIG_TESTDIR(tests/JobMarket)
	556	AC_CONFIG_FILES([
	557	tests/JobMarket/atlocal
	558	tests/JobMarket/Makefile])
	559	AC_CONFIG_FILES([tests/JobMarket/molecuilder], [chmod +x tests/JobMarket/molecuilder])
	560
[83fa5c]	561	AC_CONFIG_TESTDIR(tests/integration)
	562	AC_CONFIG_FILES([
	563	tests/integration/atlocal
	564	tests/integration/Makefile])
	565	AC_CONFIG_FILES([tests/integration/molecuilder], [chmod +x tests/integration/molecuilder])
[fbf005]	566	AC_CONFIG_FILES([tests/integration/molecuilder_poolworker], [chmod +x tests/integration/molecuilder_poolworker])
[83fa5c]	567
[689639]	568	AC_CONFIG_TESTDIR(tests/regression)
	569	AC_CONFIG_FILES([
	570	tests/regression/atlocal
	571	tests/regression/Makefile])
	572	AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
[c66ae6]	573	AC_CONFIG_FILES([tests/regression/adjacencymatcher], [chmod +x tests/regression/adjacencymatcher])
[557b39]	574	AC_CONFIG_FILES([tests/regression/difffragmentresultcontainer], [chmod +x tests/regression/difffragmentresultcontainer])
[7d146a]	575	AC_CONFIG_FILES([tests/regression/trianglematcher], [chmod +x tests/regression/trianglematcher])
[893426]	576	AC_CONFIG_FILES([tests/regression/runpython], [chmod +x tests/regression/runpython])
[689639]	577
	578	AC_CONFIG_TESTDIR(tests/Tesselations)
[5079a0]	579	AC_CONFIG_FILES([
[a85f45]	580	tests/Tesselations/atlocal
	581	tests/Tesselations/Makefile])
	582	AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
[7d146a]	583	AC_CONFIG_FILES([tests/Tesselations/trianglematcher], [chmod +x tests/Tesselations/trianglematcher])
[689639]	584
[4464ef]	585	AC_CONFIG_TESTDIR(tests/Examples)
	586	AC_CONFIG_FILES([
	587	tests/Examples/atlocal
	588	tests/Examples/Makefile])
	589	AC_CONFIG_FILES([tests/Examples/molecuilder], [chmod +x tests/Examples/molecuilder])
[fbf005]	590	AC_CONFIG_FILES([tests/Examples/molecuilder_poolworker], [chmod +x tests/Examples/molecuilder_poolworker])
[4464ef]	591
[5079a0]	592	AC_CONFIG_FILES([
	593	doc/molecuilder.xml])
[6029a6]	594	AC_CONFIG_FILES([
	595	doc/userguide/catalog.xml:doc/userguide/catalog.xml.in])
[861874]	596	AC_CONFIG_FILES([
[878044]	597	MoleCuilder.pc:MoleCuilder.pc.in])
[5079a0]	598	AC_CONFIG_FILES([
[ec188c]	599	doc/Makefile
[6029a6]	600	doc/userguide/Makefile
	601	])
	602	AC_CONFIG_FILES([
	603	Makefile
[7672284]	604	python/Makefile
[938ffd]	605	src/Makefile
[c66ae6]	606	src/Bond/AdjacencyMatcher/Makefile
[7d146a]	607	src/Tesselation/TriangleMatcher/Makefile
[6e12a6]	608	ThirdParty/Makefile
[5b991a]	609	data/icons/Makefile
[04e1fb]	610	utils/Makefile
[85949a]	611	])
	612	AC_CONFIG_FILES([
[878044]	613	src/unittests/Makefile
[85949a]	614	])
[d0b3aca]	615
[c015b3]	616	# produce python scripts and tests only when python's present
[24e19e]	617	AC_CONFIG_TESTDIR([tests/Python])
	618	AC_CONFIG_FILES([tests/Python/atlocal])
[c015b3]	619	AM_COND_IF([CONDPYTHON],[
[9fd196]	620	AC_CONFIG_FILES([utils/Python/boxmaker.py:utils/Python/boxmaker.py.in], [chmod +x utils/Python/boxmaker.py])
	621	AC_CONFIG_FILES([utils/Python/python_wrapper:utils/Python/python_wrapper.in], [chmod +x utils/Python/python_wrapper])
[c015b3]	622	AC_CONFIG_FILES([tests/Python/run], [chmod +x tests/Python/run])
	623	])
[24e19e]	624	AC_CONFIG_FILES([tests/Python/Makefile])
[d0b3aca]	625
[14de469]	626	AC_OUTPUT

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