source: configure.ac@ 4464ef

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.6.0 Candidate_v1.6.1 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 ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction Subpackage_levmar Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since 4464ef was 4464ef, checked in by Frederik Heber <heber@…>, 8 years ago

Added Examples tests that integrate the full fragment automation pipeline.

  • Property mode set to 100644
File size: 18.6 KB
RevLine 
[14de469]1# -*- Autoconf -*-
2# Process this file with autoconf to produce a configure script.
3
4AC_PREREQ(2.59)
[4b5bd2]5AC_INIT(MoleCuilder, 1.5.4, [foo@molecuilder.de], [molecuilder], [http://www.molecuilder.de/])
[bf4b9f]6AC_CONFIG_AUX_DIR([build-aux])
[14de469]7AC_CONFIG_SRCDIR([src/builder.cpp])
[861874]8AC_CONFIG_HEADER([config.h libmolecuilder_config.h])
9AC_CONFIG_MACRO_DIR([m4])
[4ecb2d]10AC_CONFIG_SUBDIRS([ThirdParty/LinearAlgebra])
[482400e]11AC_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]16AM_INIT_AUTOMAKE([dist-bzip2 1.5 parallel-tests color-tests tar-pax subdir-objects])
[14de469]17
18# Checks for programs.
19AC_PROG_CXX
[54a746]20AC_PROG_INSTALL
[14de469]21
[0cfc27]22# check for cppunit (taken from svn.apache.org/../xmlbeanscxx)
23AM_PATH_CPPUNIT(1.9.6)
24AM_CONDITIONAL(CONDCPPUNIT, test "$CPPUNIT_LIBS")
25
[c015b3]26dnl Check if we have enable python
27# python module
28AC_MSG_CHECKING(whether to enable python module)
[f99714]29AC_ARG_ENABLE(
30 [python],
31 AS_HELP_STRING([--enable-python],[turn on python module [default=yes]]),
32 enable_python=$enableval,
33 enable_python="yes")
[c015b3]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"$enable_python" != x"no"])
42AC_SUBST(HAVE_PYTHON)
43
[74459a]44dnl Check whether no extra thread for ActionQueue shall be used
45AC_MSG_CHECKING(whether to enable ActionQueue's run thread)
46AC_ARG_ENABLE(
47 [action_thread],
48 AS_HELP_STRING([--enable-action-thread],[turn on extra run thread for ActionQueue [default=yes]]),
49 enable_action_thread=$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"$enable_action_thread" != x"no"])
57AC_SUBST(HAVE_ACTION_THREAD)
58
[c015b3]59dnl Check if we have enable qtgui
[e5cec4]60# Qt programs
[c015b3]61AC_MSG_CHECKING(whether to enable Qt-based GUI)
[f99714]62AC_ARG_ENABLE(
63 [qtgui],
64 AS_HELP_STRING([--enable-qtgui],[turn on Qt GUI compilation [default=yes]]),
65 enable_qtgui=$enableval,
66 enable_qtgui="yes")
[c015b3]67AC_MSG_RESULT($enable_qtgui)
68AS_IF([test x"$enable_qtgui" != x"no"],[
[93909a]69 AC_ARG_WITH(
70 [Qt-bin],
71 [AS_HELP_STRING([--with-Qt-bin], [give path to Qt binaries])],
72 [have_qtgui_path=$withval],
73 have_qtgui_path="")
[196702]74 AS_IF([test x"$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 [$have_qtgui_path]
89 )
90 ],[
91 AC_PATH_PROGS([QT_MOC],
92 [moc-qt4 moc],
93 [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])]
94 )
95 AC_PATH_PROGS([QT_RCC],
96 [rcc-qt4 rcc],
97 [AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])]
98 )
99 AC_PATH_PROGS([QT_UIC],
100 [uic-qt4 uic],
101 [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])]
102 )
103 ])
[c015b3]104 PKG_CHECK_MODULES([QT], [QtCore QtGui Qt3D], [
105 ])
106 AC_SUBST([QT_CFLAGS])
107 AC_SUBST([QT_LIBS])
108 AC_DEFINE(HAVE_QTGUI,1, ["Build Qt-based GUI"])
[e5cec4]109])
[c015b3]110AM_CONDITIONAL([CONDQTGUI], [test x"$enable_qtgui" != x"no"])
111AC_SUBST(HAVE_QTGUI)
[e5cec4]112
[3d61c7]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"$enable_qtgui_capture_log" != x"no"],[
123 AC_DEFINE(QT_CAPTURES_LOG,1, ["Have QtGui capture the stdout."])
124])
125AC_SUBST(QT_CAPTURES_LOG)
126
127
[c76b8b]128# check additionally for QWT to enable plotting of potentials
129AC_MSG_CHECKING(whether to enable Qwt-based plotting)
130#enable_qwt=yes
131AC_ARG_ENABLE(
132 [qwt],
133 AS_HELP_STRING([--enable-qwt],[turn on Qwt compilation [default=yes]]),
134 enable_qwt=$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
[ec188c]152# use doxygen
153DX_HTML_FEATURE(ON)
154DX_PS_FEATURE(OFF)
155DX_PDF_FEATURE(OFF)
[3158e6]156DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, ${docdir})
[ec188c]157
[6029a6]158# use docbook
159AX_CHECK_DOCBOOK
160
[ec188c]161# use libtool
[a0064e]162LT_INIT([static])
[861874]163
164# Define these substitions here to keep all version information in one place.
165# For information on how to properly maintain the library version information,
166# refer to the libtool manual, section "Updating library version information":
167# http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
[4b5bd2]168AC_SUBST([MOLECUILDER_SO_VERSION], [17:0:0])
169AC_SUBST([MOLECUILDER_API_VERSION], [1.5.4])
[06aedc]170
[dc031c]171dnl this macro is used to get the arguments supplied
172dnl to the configure script (./configure --enable-debug)
173dnl Check if we have enable debug support.
174AC_MSG_CHECKING(whether to enable debugging)
175have_debug="no"
[f99714]176AC_ARG_ENABLE(
177 [debug],
178 AS_HELP_STRING([--enable-debug],[turn on debugging [default=no]]),
179 enable_debug=$enableval,
180 enable_debug="no")
181AC_MSG_RESULT($enable_debug)
182AS_IF([test x"$enable_debug" = x"yes"],[
[dc031c]183 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
184 AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
185 have_debug="yes"
[f99714]186],[
187 AS_IF([test x"$enable_debug" = x"full"],[
188 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
189 AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
190 AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
[4d6d6a]191 dnl AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
[f99714]192 have_debug="full"
193 ],[
194 AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
195 AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
[4d6d6a]196 AC_DEFINE(QT_NO_DEBUG_OUTPUT,, ["Disable Qt debug messages."])
[f99714]197 have_debug="no"
198 ])
199])
[dc031c]200AC_SUBST(HAVE_DEBUG)
201
202dnl this macro is used to get the arguments supplied
203dnl to the configure script (./configure --enable-debug)
204dnl Check if we have enable debug support.
[f3b8a5]205AC_MSG_CHECKING(whether to enable internal caching/lazy evaluation)
[f99714]206AC_ARG_ENABLE(
207 [cache],
208 AS_HELP_STRING([--enable-cache],[turn on internal lazy evaluation [default=yes]]),
209 enable_cache=$enableval,
210 enable_cache="yes")
[f3b8a5]211AC_MSG_RESULT($enable_cache)
[f99714]212AS_IF([test x"$enable_cache" != x"no"],[
213 AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
214],[
[dc031c]215 AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
216 AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
[f99714]217])
[dc031c]218AC_SUBST(HAVE_CACHE)
219
[14de469]220# Checks for libraries.
[861874]221AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
[14de469]222
[7d0a4e]223# Pthreads
224ACX_PTHREAD()
225
[f08ae7]226# Boost
[79de12]227BOOST_REQUIRE([1.40])
[f08ae7]228
229# Boost headers only
230BOOST_ANY
[794bc8]231BOOST_ARRAY
[4f04ab8]232BOOST_BIMAP
[f08ae7]233BOOST_BIND
[503acc1]234BOOST_CAST
[f08ae7]235BOOST_CONVERSION
[79de12]236BOOST_EXCEPTION
[f08ae7]237BOOST_FOREACH
238BOOST_FUNCTION
[619a0e]239BOOST_FUSION
[4f04ab8]240BOOST_GRAPH
[30c753]241BOOST_ITERATOR
[794bc8]242BOOST_MULTIARRAY
[4da4de]243BOOST_MULTIINDEXCONTAINER
[619a0e]244BOOST_MPL
[f08ae7]245BOOST_PREPROCESSOR
246BOOST_RANDOM
247BOOST_SMART_PTR
[7f570c]248BOOST_STRING_ALGO
[f08ae7]249BOOST_TOKENIZER
250
251# Boost headers with libraries
[79de12]252BOOST_FILESYSTEM
[d920b9]253BOOST_IOSTREAMS
[79de12]254BOOST_PROGRAM_OPTIONS
[c015b3]255AS_IF([test x"$enable_python" != x"no"], [BOOST_PYTHON])
[d7d022]256BOOST_SERIALIZATION
[79de12]257BOOST_THREADS
[fa861b]258
[f08ae7]259
[e2c2b1]260# CodePatterns library (requiring UnobservedIterator)
[26dc12]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])
278AM_CONDITIONAL([COND_COMPILE_CODEPATTERNS], [test x"$compile_codepatterns" = x"yes"])
[3027f8]279
[004d5c]280# JobMarket library (needs boost/archive/iserializer.hpp before MemDebug.hpp)
[830adf]281AC_MSG_CHECKING(whether to enable jobmarket)
[004d5c]282AC_ARG_ENABLE(
283 [jobmarket],
284 AS_HELP_STRING([--enable-jobmarket],[turn on JobMarket feature [default=yes]]),
285 enable_jobmarket=$enableval,
286 enable_jobmarket="yes")
287AC_MSG_RESULT($enable_jobmarket)
[2f5562]288compile_jobmarket="no"
[004d5c]289AS_IF([test x"$enable_jobmarket" != x"no"],[
[d6a7b9]290 # JobMarket library (needs SystemCommandJob with suffix)
[25b05f]291 AM_PATH_JOBMARKET([1.1.6], $have_debug,[
[004d5c]292 # the following is only required if we have JobMarket
293 BOOST_ASIO
294 AC_DEFINE(HAVE_JOBMARKET,1, ["use JobMarket to calculate fragment jobs."])
295 ],[
[2f5562]296 AC_CONFIG_SUBDIRS([ThirdParty/JobMarket])
297 compile_jobmarket="yes"
298 [JobMarket_CFLAGS='-I$(top_srcdir)/ThirdParty/JobMarket/src']
299 [JobMarket_LDFLAGS='-L$(top_builddir)/ThirdParty/JobMarket/src/JobMarket']
300 [JobMarket_LIBS='-lJobMarket']
301 [JobMarket_Controller_LIBS='-lJobMarketController']
302 [JobMarket_Server_LIBS='-lJobMarketServer']
303 [JobMarket_PoolWorker_LIBS='-lJobMarketPoolWorker']
304 AC_SUBST(JobMarket_CFLAGS)
305 AC_SUBST(JobMarket_LDFLAGS)
306 AC_SUBST(JobMarket_LIBS)
307 AC_SUBST(JobMarket_Controller_LIBS)
308 AC_SUBST(JobMarket_Server_LIBS)
309 AC_SUBST(JobMarket_PoolWorker_LIBS)
[004d5c]310 ])
311]
[2f5562]312AM_CONDITIONAL([COND_COMPILE_JOBMARKET], [test x"$compile_jobmarket" = x"yes"])
[004d5c]313#[
314# AC_DEFINE(HAVE_JOBMARKET,0, ["use JobMarket to calculate fragment jobs."])
315#]
316)
317AC_SUBST(HAVE_JOBMARKET)
318AM_CONDITIONAL([CONDJOBMARKET], [test x"$enable_jobmarket" = x"yes"])
[3027f8]319
[d2a0f6d]320# VMG library
321AC_MSG_CHECKING(whether to compile in long-range support via VMG)
322AC_ARG_ENABLE(
323 [vmg],
324 [AS_HELP_STRING([--enable-vmg], [turn on long-range potential calculation via VMG [default=no]])],
325 [enable_vmg=$enableval],
326 enable_vmg="no")
327AC_MSG_RESULT($enable_vmg)
328AS_IF([test x"$enable_vmg" != x"no"],[
329 PKG_CHECK_MODULES(VMG, VMG >= 0.1)
330 AC_SUBST(VMG_CFLAGS)
331 AC_SUBST(VMG_LIBS)
[69c733]332 AC_DEFINE(HAVE_VMG,1, ["use VMG to calculate long-range contributions."])
[8a8c8c]333
334 # check whether to use mpi
335 AC_ARG_WITH(
336 [vmg-mpi],
337 [AS_HELP_STRING([--with-vmg-mpi], [whether to use MPI for communication in VMGJobs])],
338 [with_vmg_mpi=yes],
339 [with_vmg_mpi=no])
340 AS_IF(
341 [test "x$with_vmg_mpi" != xno],
342 [
343 AC_LANG_SAVE
344 AC_LANG_CPLUSPLUS
345 LX_FIND_MPI
346 AC_LANG_RESTORE
347 AS_IF([test "x$have_CXX_mpi" = xyes],[
348 AC_DEFINE([MPICH_SKIP_MPICXX], [1], [Skip C++ bindings])
349 AC_DEFINE([OMPI_SKIP_MPICXX], [1], [Skip C++ bindings])
350 AC_DEFINE([MPI_NO_CPPBIND], [1], [Skip C++ bindings])
351 AC_DEFINE([_MPICC_H], [1], [Skip C++ bindings])
352 AC_DEFINE([MPIBULL_SKIP_MPICXX], [1], [Skip C++ bindings])
353 ])
354 ],
355 [])
[d2a0f6d]356])
357AM_CONDITIONAL([CONDVMG], [test x"$enable_vmg" = x"yes"])
[8a8c8c]358AM_CONDITIONAL([CONDVMGMPI], [test x"$have_CXX_mpi" = x"yes"])
[d2a0f6d]359
360
[f06d52]361# Check for Levenberg-Marquardt implementation
[830adf]362AC_MSG_CHECKING(whether to enable function fitting via levmar)
[48d20d]363AC_ARG_ENABLE(
364 [levmar],
365 AS_HELP_STRING([--enable-levmar],[turn on LevMar feature [default=no]]),
366 enable_levmar=$enableval,
367 enable_levmar="no")
[4d5dfa]368AC_MSG_RESULT($enable_levmar)
[b61bd5]369# don't use AS_IF here as it expands (and tests) AC_F77_FUN even if levmar
[4d5dfa]370# is disabled.
[b61bd5]371if test x"$enable_levmar" = xyes; then
372 AX_LAPACK([enable_levmar=yes],
373 [enable_levmar=no
374 AC_MSG_WARN(["Missing LAPACK, disabling off levmar"])
375 ]
376 )
[4d5dfa]377fi
[b61bd5]378AS_IF([test x"$enable_levmar" = xyes],[
379 AC_MSG_CHECKING(for levmar presence via given path )
[f06d52]380 AC_ARG_WITH(
381 [levmar],
382 [AS_HELP_STRING([--with-levmar], [give path to LevMar package])],
[b61bd5]383 [have_levmar_path=$withval
384 enable_levmar=yes],
[f06d52]385 [enable_levmar=no])
[b61bd5]386 AC_MSG_RESULT($enable_levmar)
387 AS_IF([test -n "$have_levmar_path"],[
388 LEVMAR_CPPFLAGS="-I${have_levmar_path}/include"
389 LEVMAR_LDFLAGS="-L${have_levmar_path}/lib"
390 LEVMAR_LIBS="-llevmar"],[
391 PKG_CHECK_MODULES([LEVMAR],[levmar],[enable_levmar=yes],[
392 AC_MSG_CHECKING(for levmar presence via locate)
393 enable_levmar=no
394 levmar_lib=`locate liblevmar.a | head -n 1 | xargs dirname`
395 levmar_include=`locate levmar.h | head -n 1 | xargs dirname`
396 if test -n "$levmar_lib"; then
397 if test -n "$levmar_include"; then
398 enable_levmar=yes
399 LEVMAR_CPPFLAGS="-I${levmar_include}"
400 LEVMAR_LDFLAGS="-L${levmar_lib}"
401 LEVMAR_LIBS="-llevmar"
402 fi
403 fi
404 AC_MSG_RESULT($enable_levmar)
405 ])
406 ])
407 ],[enable_levmar=no]
408)
409AC_MSG_CHECKING(for levmar usability)
410AS_IF([test x"$enable_levmar" = xyes],[
[f06d52]411 AC_SUBST(LEVMAR_CPPFLAGS)
412 AC_SUBST(LEVMAR_LDFLAGS)
413 AC_SUBST(LEVMAR_LIBS)
[b61bd5]414 AC_DEFINE(HAVE_LEVMAR,1, ["use levmar for non-linear minimisation/potential fitting."])])
415AC_MSG_RESULT($enable_levmar)
[f06d52]416AM_CONDITIONAL([CONDLEVMAR], [test x"$enable_levmar" = x"yes"])
417
[14de469]418# Checks for header files.
419AC_HEADER_STDC
420AC_CHECK_HEADERS([sys/time.h])
421AC_HEADER_STDBOOL
422
[d3a46d]423AC_FUNC_MALLOC
424AC_FUNC_REALLOC
425AC_CHECK_FUNCS([floor pow sqrt strchr])
426
[14de469]427# Checks for typedefs, structures, and compiler characteristics.
428AC_C_CONST
429AC_C_INLINE
430AC_C_RESTRICT
431AC_TYPE_SIZE_T
432
433# Checks for library functions.
434# check for GNU Scientific Library
[bd3e55]435AC_CHECK_HEADERS([gsl/gsl_blas.h])
[db1a72]436AC_SEARCH_LIBS(dnrm2, gslblas gslcblas goto blas cblas)
437AC_SEARCH_LIBS(cblas_dnrm2, gslblas gslcblas blas cblas)
438AC_SEARCH_LIBS(gsl_blas_dnrm2,, gsl)
439#AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
440AC_CHECK_LIB(gsl, main)
[14de469]441
[490038]442# use CppUnit TestRunner or not
[f99714]443AC_MSG_CHECKING(whether to enable ECut TestRunnerClient)
444AC_ARG_ENABLE(
445 [ecut],
446 AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient [default=no]]),
447 enable_ecut=$disableval,
448 enable_ecut="no")
449AC_MSG_RESULT($enable_ecut)
450AS_IF([test x"$enable_ecut" = x"yes"],[
[9b6b2f]451 AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
452 AC_SUBST(HAVE_ECUT)
[f99714]453])
[fbbcde]454AM_CONDITIONAL([CONDECUT], [test x"$enable_ecut" = x"yes"])
[9b6b2f]455
[490038]456# with valgrinding testsuite or not
[f3b8a5]457AC_MSG_CHECKING(whether to enable valgrind memory checking in testsuite)
[f99714]458AC_ARG_ENABLE(
459 [valgrind],
460 AS_HELP_STRING([--enable-valgrind],[Use Valgrind on the testsuite [default=no]]),
461 enable_valgrind=$enableval,
462 enable_valgrind="no")
463AC_MSG_RESULT($enable_valgrind)
464AS_IF([test x"$enable_valgrind" = x"yes"], [
[490038]465 AC_CHECK_HEADER([valgrind/valgrind.h],
466 [
467 # check header
468 AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
469 # check path
470 AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
471 # set variables
472 AC_SUBST(HAVE_VALGRIND_TESTSUITE)
473 AC_SUBST(VALGRIND)
474 ],
475 [
476 AC_MSG_ERROR(["Valgrind support requested but headers not available."])
477 ]
478 )
[f3b8a5]479])
[490038]480
[14de469]481# Check for "extern inline", using a modified version
482# of the test for AC_C_INLINE from acspecific.mt
483AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
484[ac_cv_c_extern_inline=no
485AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
486extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
487double foo (double x) { return x + 1.0; };],
488[ foo(1.0) ],
489[ac_cv_c_extern_inline="yes"])
490])
491
492if test "$ac_cv_c_inline" != no ; then
493 AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
494 AC_SUBST(HAVE_INLINE)
495fi
496
[bd3e55]497#AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
[a19da5d]498
[0ca39c]499# test suite
[878044]500
[5079a0]501AC_CONFIG_FILES([
[689639]502 tests/Makefile])
503
[abfc95]504AC_CONFIG_TESTDIR(tests/Calculations)
505AC_CONFIG_FILES([
506 tests/Calculations/atlocal
507 tests/Calculations/Makefile])
508AC_CONFIG_FILES([tests/Calculations/molecuilder], [chmod +x tests/Calculations/molecuilder])
509
[689639]510AC_CONFIG_TESTDIR(tests/CodeChecks)
[d0a719]511AC_CONFIG_FILES([
512 tests/CodeChecks/atlocal
513 tests/CodeChecks/Makefile])
[689639]514
[740d40]515AC_CONFIG_TESTDIR(tests/Fragmentations)
[038713]516AC_CONFIG_FILES([
[740d40]517 tests/Fragmentations/atlocal
518 tests/Fragmentations/Makefile])
519AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
[689639]520
[0f0407]521AC_CONFIG_TESTDIR(tests/GuiChecks)
522AC_CONFIG_FILES([
523 tests/GuiChecks/atlocal
524 tests/GuiChecks/Makefile])
525AC_CONFIG_FILES([tests/GuiChecks/molecuilder], [chmod +x tests/GuiChecks/molecuilder])
526AC_CONFIG_FILES([tests/GuiChecks/molecuilderguitest], [chmod +x tests/GuiChecks/molecuilderguitest])
[c66ae6]527AC_CONFIG_FILES([tests/GuiChecks/adjacencymatcher], [chmod +x tests/GuiChecks/adjacencymatcher])
[42b40a]528AC_CONFIG_FILES([tests/GuiChecks/trianglematcher], [chmod +x tests/GuiChecks/trianglematcher])
[0f0407]529
[004d5c]530AC_CONFIG_TESTDIR(tests/JobMarket)
531AC_CONFIG_FILES([
532 tests/JobMarket/atlocal
533 tests/JobMarket/Makefile])
534AC_CONFIG_FILES([tests/JobMarket/molecuilder], [chmod +x tests/JobMarket/molecuilder])
535
[689639]536AC_CONFIG_TESTDIR(tests/regression)
537AC_CONFIG_FILES([
538 tests/regression/atlocal
539 tests/regression/Makefile])
540AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
[c66ae6]541AC_CONFIG_FILES([tests/regression/adjacencymatcher], [chmod +x tests/regression/adjacencymatcher])
[7d146a]542AC_CONFIG_FILES([tests/regression/trianglematcher], [chmod +x tests/regression/trianglematcher])
[893426]543AC_CONFIG_FILES([tests/regression/runpython], [chmod +x tests/regression/runpython])
[689639]544
545AC_CONFIG_TESTDIR(tests/Tesselations)
[5079a0]546AC_CONFIG_FILES([
[a85f45]547 tests/Tesselations/atlocal
548 tests/Tesselations/Makefile])
549AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
[7d146a]550AC_CONFIG_FILES([tests/Tesselations/trianglematcher], [chmod +x tests/Tesselations/trianglematcher])
[689639]551
[4464ef]552AC_CONFIG_TESTDIR(tests/Examples)
553AC_CONFIG_FILES([
554 tests/Examples/atlocal
555 tests/Examples/Makefile])
556AC_CONFIG_FILES([tests/Examples/molecuilder], [chmod +x tests/Examples/molecuilder])
557
[5079a0]558AC_CONFIG_FILES([
559 doc/molecuilder.xml])
[6029a6]560AC_CONFIG_FILES([
561 doc/userguide/catalog.xml:doc/userguide/catalog.xml.in])
[861874]562AC_CONFIG_FILES([
[878044]563 MoleCuilder.pc:MoleCuilder.pc.in])
[5079a0]564AC_CONFIG_FILES([
[ec188c]565 doc/Makefile
[6029a6]566 doc/userguide/Makefile
567])
568AC_CONFIG_FILES([
569 Makefile
[938ffd]570 src/Makefile
[c66ae6]571 src/Bond/AdjacencyMatcher/Makefile
[7d146a]572 src/Tesselation/TriangleMatcher/Makefile
[5b991a]573 data/icons/Makefile
[04e1fb]574 utils/Makefile
[85949a]575])
576AC_CONFIG_FILES([
[878044]577 src/unittests/Makefile
[85949a]578])
[d0b3aca]579
[c015b3]580# produce python scripts and tests only when python's present
[24e19e]581AC_CONFIG_TESTDIR([tests/Python])
582AC_CONFIG_FILES([tests/Python/atlocal])
[c015b3]583AM_COND_IF([CONDPYTHON],[
[9fd196]584 AC_CONFIG_FILES([utils/Python/boxmaker.py:utils/Python/boxmaker.py.in], [chmod +x utils/Python/boxmaker.py])
585 AC_CONFIG_FILES([utils/Python/python_wrapper:utils/Python/python_wrapper.in], [chmod +x utils/Python/python_wrapper])
[c015b3]586 AC_CONFIG_FILES([tests/Python/run], [chmod +x tests/Python/run])
587])
[24e19e]588AC_CONFIG_FILES([tests/Python/Makefile])
[d0b3aca]589
[14de469]590AC_OUTPUT
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