source: configure.ac@ f94953

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 f94953 was 360c8b, checked in by Frederik Heber <heber@…>, 13 years ago

Merge branch 'Adding_Psi3Parser' into stable

Conflicts:

src/Parser/FormatParser.hpp
src/Parser/unittests/ParserTremoloUnitTest.cpp

Issues:

  • Element and periodentafel have been moved to folder src/Element.
  • Property mode set to 100644
File size: 8.3 KB
Line 
1# -*- Autoconf -*-
2# Process this file with autoconf to produce a configure script.
3
4AC_PREREQ(2.59)
5AC_INIT(MoleCuilder, 1.1.4, [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# use doxygen
24DX_HTML_FEATURE(ON)
25DX_PS_FEATURE(OFF)
26DX_PDF_FEATURE(OFF)
27DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, $(docdir))
28
29# use libtool
30LT_INIT([static])
31
32# Define these substitions here to keep all version information in one place.
33# For information on how to properly maintain the library version information,
34# refer to the libtool manual, section "Updating library version information":
35# http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
36AC_SUBST([MOLECUILDER_SO_VERSION], [5:0:0])
37AC_SUBST([MOLECUILDER_API_VERSION], [1.1.4])
38
39dnl this macro is used to get the arguments supplied
40dnl to the configure script (./configure --enable-debug)
41dnl Check if we have enable debug support.
42AC_MSG_CHECKING(whether to enable debugging)
43default="no"
44have_debug="no"
45AC_ARG_ENABLE(debug, [ --enable-debug=[no/yes/full] turn on debugging
46 [default=$default]],, enable_debug=$default)
47if test "x$enable_debug" = "xyes"; then
48 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
49 AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
50 have_debug="yes"
51elif test "x$enable_debug" = "xfull"; then
52 AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
53 AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
54 AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
55 AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
56 have_debug="full"
57else
58 AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
59 AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
60 AC_DEFINE(QT_NO_DEBUG,, ["Disable Qt debug messages."])
61 have_debug="no"
62fi
63AC_MSG_RESULT($have_debug)
64AC_SUBST(HAVE_DEBUG)
65
66dnl this macro is used to get the arguments supplied
67dnl to the configure script (./configure --enable-debug)
68dnl Check if we have enable debug support.
69AC_MSG_CHECKING([whether to enable internal caching of values (speedup!)])
70default="yes"
71AC_ARG_ENABLE(cache, [ --enable-cache=[no/yes] turn on caching
72 [default=$default]],, enable_cache=$default)
73if test "x$enable_cache" = "xno"; then
74 AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
75 AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
76 AC_MSG_RESULT(no)
77else
78 AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
79 AC_MSG_RESULT(yes)
80fi
81AC_SUBST(HAVE_CACHE)
82
83#AC_MSG_CHECKING(whether to enable profiling)
84#default="no"
85#AC_ARG_ENABLE(debug, [ --enable-profile=[no/yes] turn on profiling
86# [default=$default]],, enable_profile=$default)
87#if test "x$enable_profile" = "xyes"; then
88# CXXFLAGS="$CXXFLAGS -g -DDEBUG -pg"
89# DEBUG=-pg;
90# AC_MSG_RESULT(yes)
91#else
92# AC_MSG_RESULT(no)
93#fi
94
95#AC_MSG_CHECKING(whether to enable serialization)
96#default="no"
97#AC_ARG_ENABLE(debug, [ --enable-serialization=[no/yes] turn on serialization support
98# [default=$default]],, enable_serialization=$default)
99#if test "x$enable_serialization" = "xyes"; then
100# CXXFLAGS="$CXXFLAGS -DSERIALIZATION"
101# serialization=yes;
102# AC_MSG_RESULT(yes)
103#else
104# serialization=no;
105# AC_MSG_RESULT(no)
106#fi
107
108# Checks for libraries.
109AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
110
111# Boost
112BOOST_REQUIRE([1.40])
113
114# Boost headers only
115BOOST_ANY
116BOOST_BIND
117BOOST_CONVERSION
118BOOST_EXCEPTION
119BOOST_FOREACH
120BOOST_FUNCTION
121BOOST_PREPROCESSOR
122BOOST_RANDOM
123BOOST_SMART_PTR
124BOOST_STRING_ALGO
125BOOST_TOKENIZER
126
127# Boost headers with libraries
128BOOST_FILESYSTEM
129BOOST_PROGRAM_OPTIONS
130BOOST_SERIALIZATION
131BOOST_THREADS
132
133#QT4 libraries
134BNV_HAVE_QT
135#gw_CHECK_QT4
136#AX_CHECK_GLU
137#AC_MSG_NOTICE(["GLU_CFLAGS: $GLU_CFLAGS, GLU_CXXFLAGS: $GLU_CXXFLAGS, GLU_LDFLAGS: $GLU_LDFLAGS, GLU_LIBS: $GLU_LIBS"])
138
139
140# CodePatterns library (needs valarray in MemDebug )
141AM_PATH_CODEPATTERNS([1.1.6], $have_debug,,[AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])])
142
143# Checks for header files.
144AC_HEADER_STDC
145AC_CHECK_HEADERS([sys/time.h])
146AC_HEADER_STDBOOL
147
148AC_FUNC_MALLOC
149AC_FUNC_REALLOC
150AC_CHECK_FUNCS([floor pow sqrt strchr])
151
152# Checks for typedefs, structures, and compiler characteristics.
153AC_C_CONST
154AC_C_INLINE
155AC_C_RESTRICT
156AC_TYPE_SIZE_T
157
158# Checks for library functions.
159# check for GNU Scientific Library
160AC_CHECK_HEADERS([gsl/gsl_blas.h])
161AC_SEARCH_LIBS(dnrm2, goto blas cblas gslblas gslcblas)
162AC_CHECK_LIB(gsl, main, [],
163 [AC_SEARCH_LIBS(cblas_dnrm2, blas cblas gslblas gslcblas)])
164AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
165
166# add replacement/saturation hydrogen or not
167AC_ARG_ENABLE([hydrogen],AS_HELP_STRING([--enable-hydrogen],[Adding saturation hydrogen (default is yes)]),
168 [enable_hydrogen=$enableval], [enable_hydrogen=yes])
169if test x"$enable_hydrogen" = xyes; then
170 AC_DEFINE(ADDHYDROGEN,1, ["Adding saturation hydrogen"])
171 AC_SUBST(ADDHYDROGEN)
172fi
173
174# use CppUnit TestRunner or not
175AC_ARG_ENABLE([ecut],AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient (default is no)]),
176 [enable_ecut=$enableval], [enable_ecut=no])
177if test x"$enable_ecut" = xyes; then
178 AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
179 AC_SUBST(HAVE_ECUT)
180fi
181
182# with valgrinding testsuite or not
183AC_ARG_WITH([valgrind],AS_HELP_STRING([--with-valgrind],[Use Valgrind on the testsuite (default is no)]),
184 [with_valgrind=$withval], [with_valgrind=no])
185if test x"$with_valgrind" = xyes; then
186 AC_CHECK_HEADER([valgrind/valgrind.h],
187 [
188 # check header
189 AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
190 # check path
191 AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
192 # set variables
193 AC_SUBST(HAVE_VALGRIND_TESTSUITE)
194 AC_SUBST(VALGRIND)
195 ],
196 [
197 AC_MSG_ERROR(["Valgrind support requested but headers not available."])
198 ]
199 )
200fi
201
202# Check for "extern inline", using a modified version
203# of the test for AC_C_INLINE from acspecific.mt
204AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
205[ac_cv_c_extern_inline=no
206AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
207extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
208double foo (double x) { return x + 1.0; };],
209[ foo(1.0) ],
210[ac_cv_c_extern_inline="yes"])
211])
212
213if test "$ac_cv_c_inline" != no ; then
214 AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
215 AC_SUBST(HAVE_INLINE)
216fi
217
218#AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
219
220# test suite
221
222AC_CONFIG_FILES([
223 tests/Makefile])
224
225AC_CONFIG_TESTDIR(tests/CodeChecks)
226AC_CONFIG_FILES([
227 tests/CodeChecks/atlocal
228 tests/CodeChecks/Makefile])
229
230AC_CONFIG_TESTDIR(tests/Fragmentations)
231AC_CONFIG_FILES([
232 tests/Fragmentations/atlocal
233 tests/Fragmentations/Makefile])
234AC_CONFIG_FILES([tests/Fragmentations/analyzer], [chmod +x tests/Fragmentations/analyzer])
235AC_CONFIG_FILES([tests/Fragmentations/joiner], [chmod +x tests/Fragmentations/joiner])
236AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
237
238AC_CONFIG_TESTDIR(tests/regression)
239AC_CONFIG_FILES([
240 tests/regression/atlocal
241 tests/regression/Makefile])
242AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
243
244AC_CONFIG_TESTDIR(tests/Tesselations)
245AC_CONFIG_FILES([
246 tests/Tesselations/atlocal
247 tests/Tesselations/Makefile])
248AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
249
250AC_CONFIG_FILES([
251 doc/molecuilder.xml])
252AC_CONFIG_FILES([
253 MoleCuilder.pc:MoleCuilder.pc.in])
254AC_CONFIG_FILES([
255 Makefile
256 doc/Makefile
257 src/Makefile
258])
259AC_CONFIG_FILES([
260 src/unittests/Makefile
261])
262AC_OUTPUT
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