source: configure.ac@ 936a02

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 936a02 was 04e1fb, checked in by Frederik Heber <heber@…>, 13 years ago

Added rules to utils/Makefile.am such that python script can be called directly.

  • Property mode set to 100644
File size: 8.9 KB
Line 
1# -*- Autoconf -*-
2# Process this file with autoconf to produce a configure script.
3
4AC_PREREQ(2.59)
5AC_INIT(MoleCuilder, 1.1.6, [heber@ins.uni-bonn.de], [molecuilder], [http://trac.ins.uni-bonn.de/projects/molecuilder/])
6AC_CONFIG_AUX_DIR([build-aux])
7AC_CONFIG_SRCDIR([src/builder.cpp])
8AC_CONFIG_HEADER([config.h libmolecuilder_config.h])
9AC_CONFIG_MACRO_DIR([m4])
10AC_CONFIG_SUBDIRS([LinearAlgebra])
11
12# parallel-tests: use parallel test druver
13# color-tests: us coloring to indicate success/failure when available
14# tar-pax: use newer tar implementation with longer filename (>99 chars)
15AM_INIT_AUTOMAKE([dist-bzip2 1.5 parallel-tests color-tests tar-pax])
16
17# Checks for programs.
18AM_PATH_CPPUNIT(1.9.6)
19AC_PROG_CXX
20AC_PROG_CC
21AC_PROG_INSTALL
22
23# Qt programs
24AC_ARG_WITH([Qt-bin],
25 [AC_HELP_STRING([--with-Qt-bin], [give path to Qt binaries])],
26 echo "Looking for binaries in $withval ... "
27 [AC_PATH_PROGS([QT_MOC],
28 [moc-qt4 moc],
29 [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])],
30 [$withval]
31 )
32 AC_PATH_PROGS([QT_UIC],
33 [uic-qt4 uic],
34 [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])],
35 [$withval]
36 )],
37 [AC_PATH_PROGS([QT_MOC],
38 [moc-qt4 moc],
39 [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])]
40 )
41 AC_PATH_PROGS([QT_UIC],
42 [uic-qt4 uic],
43 [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])]
44 )]
45)
46PKG_CHECK_MODULES([QT], [QtCore QtGui Qt3D], [
47])
48AC_SUBST([QT_CFLAGS])
49AC_SUBST([QT_LIBS])
50
51# use doxygen
52DX_HTML_FEATURE(ON)
53DX_PS_FEATURE(OFF)
54DX_PDF_FEATURE(OFF)
55DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, ${docdir})
56
57# Python (for boost::python)
58AM_PATH_PYTHON([2.2])
59AX_PYTHON
60
61# use libtool
62LT_INIT([static])
63
64# Define these substitions here to keep all version information in one place.
65# For information on how to properly maintain the library version information,
66# refer to the libtool manual, section "Updating library version information":
67# http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
68AC_SUBST([MOLECUILDER_SO_VERSION], [5:2:0])
69AC_SUBST([MOLECUILDER_API_VERSION], [1.1.6])
70
71dnl this macro is used to get the arguments supplied
72dnl to the configure script (./configure --enable-debug)
73dnl Check if we have enable debug support.
74AC_MSG_CHECKING(whether to enable debugging)
75default="no"
76have_debug="no"
77AC_ARG_ENABLE(debug, [ --enable-debug=[no/yes/full] turn on debugging
78 [default=$default]],, enable_debug=$default)
79if test "x$enable_debug" = "xyes"; then
80 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
81 AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
82 have_debug="yes"
83elif test "x$enable_debug" = "xfull"; then
84 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
85 AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
86 AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
87 AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
88 have_debug="full"
89else
90 AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
91 AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
92 AC_DEFINE(QT_NO_DEBUG,, ["Disable Qt debug messages."])
93 have_debug="no"
94fi
95AC_MSG_RESULT($have_debug)
96AC_SUBST(HAVE_DEBUG)
97
98dnl this macro is used to get the arguments supplied
99dnl to the configure script (./configure --enable-debug)
100dnl Check if we have enable debug support.
101AC_MSG_CHECKING([whether to enable internal caching of values (speedup!)])
102default="yes"
103AC_ARG_ENABLE(cache, [ --enable-cache=[no/yes] turn on caching
104 [default=$default]],, enable_cache=$default)
105if test "x$enable_cache" = "xno"; then
106 AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
107 AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
108 AC_MSG_RESULT(no)
109else
110 AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
111 AC_MSG_RESULT(yes)
112fi
113AC_SUBST(HAVE_CACHE)
114
115#AC_MSG_CHECKING(whether to enable profiling)
116#default="no"
117#AC_ARG_ENABLE(debug, [ --enable-profile=[no/yes] turn on profiling
118# [default=$default]],, enable_profile=$default)
119#if test "x$enable_profile" = "xyes"; then
120# CXXFLAGS="$CXXFLAGS -g -DDEBUG -pg"
121# DEBUG=-pg;
122# AC_MSG_RESULT(yes)
123#else
124# AC_MSG_RESULT(no)
125#fi
126
127#AC_MSG_CHECKING(whether to enable serialization)
128#default="no"
129#AC_ARG_ENABLE(debug, [ --enable-serialization=[no/yes] turn on serialization support
130# [default=$default]],, enable_serialization=$default)
131#if test "x$enable_serialization" = "xyes"; then
132# CXXFLAGS="$CXXFLAGS -DSERIALIZATION"
133# serialization=yes;
134# AC_MSG_RESULT(yes)
135#else
136# serialization=no;
137# AC_MSG_RESULT(no)
138#fi
139
140# Checks for libraries.
141AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
142
143# Boost
144BOOST_REQUIRE([1.40])
145
146# Boost headers only
147BOOST_ANY
148BOOST_BIND
149BOOST_CONVERSION
150BOOST_EXCEPTION
151BOOST_FOREACH
152BOOST_FUNCTION
153BOOST_PREPROCESSOR
154BOOST_RANDOM
155BOOST_SMART_PTR
156BOOST_STRING_ALGO
157BOOST_TOKENIZER
158
159# Boost headers with libraries
160BOOST_FILESYSTEM
161BOOST_PROGRAM_OPTIONS
162BOOST_PYTHON
163BOOST_SERIALIZATION
164BOOST_THREADS
165
166
167# CodePatterns library (needs corrected ax_codepatterns.m4 for boost compile flags in test)
168AM_PATH_CODEPATTERNS([1.1.7], $have_debug,,[AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])])
169
170# Checks for header files.
171AC_HEADER_STDC
172AC_CHECK_HEADERS([sys/time.h])
173AC_HEADER_STDBOOL
174
175AC_FUNC_MALLOC
176AC_FUNC_REALLOC
177AC_CHECK_FUNCS([floor pow sqrt strchr])
178
179# Checks for typedefs, structures, and compiler characteristics.
180AC_C_CONST
181AC_C_INLINE
182AC_C_RESTRICT
183AC_TYPE_SIZE_T
184
185# Checks for library functions.
186# check for GNU Scientific Library
187AC_CHECK_HEADERS([gsl/gsl_blas.h])
188AC_SEARCH_LIBS(dnrm2, goto blas cblas gslblas gslcblas)
189AC_CHECK_LIB(gsl, main, [],
190 [AC_SEARCH_LIBS(cblas_dnrm2, blas cblas gslblas gslcblas)])
191AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
192
193# use CppUnit TestRunner or not
194AC_ARG_ENABLE([ecut],AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient (default is no)]),
195 [enable_ecut=$enableval], [enable_ecut=no])
196if test x"$enable_ecut" = xyes; then
197 AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
198 AC_SUBST(HAVE_ECUT)
199fi
200
201# with valgrinding testsuite or not
202AC_ARG_WITH([valgrind],AS_HELP_STRING([--with-valgrind],[Use Valgrind on the testsuite (default is no)]),
203 [with_valgrind=$withval], [with_valgrind=no])
204if test x"$with_valgrind" = xyes; then
205 AC_CHECK_HEADER([valgrind/valgrind.h],
206 [
207 # check header
208 AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
209 # check path
210 AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
211 # set variables
212 AC_SUBST(HAVE_VALGRIND_TESTSUITE)
213 AC_SUBST(VALGRIND)
214 ],
215 [
216 AC_MSG_ERROR(["Valgrind support requested but headers not available."])
217 ]
218 )
219fi
220
221# Check for "extern inline", using a modified version
222# of the test for AC_C_INLINE from acspecific.mt
223AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
224[ac_cv_c_extern_inline=no
225AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
226extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
227double foo (double x) { return x + 1.0; };],
228[ foo(1.0) ],
229[ac_cv_c_extern_inline="yes"])
230])
231
232if test "$ac_cv_c_inline" != no ; then
233 AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
234 AC_SUBST(HAVE_INLINE)
235fi
236
237#AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
238
239# test suite
240
241AC_CONFIG_FILES([
242 tests/Makefile])
243
244AC_CONFIG_TESTDIR(tests/CodeChecks)
245AC_CONFIG_FILES([
246 tests/CodeChecks/atlocal
247 tests/CodeChecks/Makefile])
248
249AC_CONFIG_TESTDIR(tests/Fragmentations)
250AC_CONFIG_FILES([
251 tests/Fragmentations/atlocal
252 tests/Fragmentations/Makefile])
253AC_CONFIG_FILES([tests/Fragmentations/analyzer], [chmod +x tests/Fragmentations/analyzer])
254AC_CONFIG_FILES([tests/Fragmentations/joiner], [chmod +x tests/Fragmentations/joiner])
255AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
256
257AC_CONFIG_TESTDIR(tests/regression)
258AC_CONFIG_FILES([
259 tests/regression/atlocal
260 tests/regression/Makefile])
261AC_CONFIG_FILES([tests/regression/Python/run], [chmod +x tests/regression/Python/run])
262AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
263
264AC_CONFIG_TESTDIR(tests/Tesselations)
265AC_CONFIG_FILES([
266 tests/Tesselations/atlocal
267 tests/Tesselations/Makefile])
268AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
269
270AC_CONFIG_FILES([
271 doc/molecuilder.xml])
272AC_CONFIG_FILES([
273 MoleCuilder.pc:MoleCuilder.pc.in])
274AC_CONFIG_FILES([
275 Makefile
276 doc/Makefile
277 src/Makefile
278 utils/Makefile
279])
280AC_CONFIG_FILES([
281 src/unittests/Makefile
282])
283AC_CONFIG_FILES([utils/boxmaker.py:utils/boxmaker.py.in], [chmod +x utils/boxmaker.py])
284AC_CONFIG_FILES([utils/python_wrapper:utils/python_wrapper.in], [chmod +x utils/python_wrapper])
285AC_OUTPUT
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