source: m4/ax_molecuilder.m4@ 4da4de

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 4da4de was b40080, checked in by Frederik Heber <heber@…>, 13 years ago

FIX: Forgot to add m4/ax_molecuilder.m4.

  • Property mode set to 100644
File size: 7.8 KB
Line 
1dnl
2dnl AM_PATH_MOLECUILDER(MINIMUM-VERSION, [HAVE_DEBUG=no,yes,full], [ACTION-IF-FOUND [, ACTION-IF-NOT-FOUND]])
3dnl
4
5AC_DEFUN([AM_PATH_MOLECUILDER],
6[
7AC_REQUIRE([AX_BOOST_THREAD])
8
9AC_ARG_WITH(molecuilder,[ --with-molecuilder=PFX Prefix where MoleCuilder is installed (optional)],
10 molecuilder_prefix="$withval", molecuilder_prefix="")
11AC_ARG_WITH(molecuilder_include,[ --with-molecuilder_include=INCLUDE Where MoleCuilder' includes are installed (optional)],
12 molecuilder_include_prefix="$withval", molecuilder_include_prefix="")
13AC_ARG_WITH(cp_cv_molecuilder_libs,[ --with-cp_cv_molecuilder_libs=LIBPATH Where MoleCuilder' libs are installed (optional)],
14 cp_cv_molecuilder_libs_prefix="$withval", cp_cv_molecuilder_libs_prefix="")
15
16 molecuilder_version_min=$1
17 molecuilder_debug=$2
18
19 MoleCuilder_CFLAGS=""
20 MoleCuilder_LIBS=""
21 MoleCuilder_LDFLAGS=""
22
23
24 molecuilder_pkgconfig=""
25 # try to set PKG_CONFIG_PATH
26 if test x$molecuilder_prefix != xno; then
27 if test -z $PKG_CONFIG_PATH; then
28 export PKG_CONFIG_PATH="$molecuilder_prefix/lib/pkgconfig/"
29 else
30 export PKG_CONFIG_PATH="$molecuilder_prefix/lib/pkgconfig/:$PKG_CONFIG_PATH"
31 fi
32 fi
33 # 1. test whether pkg-config works
34 MoleCuilder_CONFIG="no"
35 #AC_MSG_NOTICE([PKG_CONFIG_PATH is $PKG_CONFIG_PATH.])
36 if test x$molecuilder_debug != xno; then
37 molecuilder_libname="MoleCuilder-debug"
38 PKG_CHECK_MODULES([MoleCuilder_debug], [MoleCuilder >= $molecuilder_version_min], [
39 molecuilder_pkgconfig=yes
40 MoleCuilder_CONFIG="pkg-config $molecuilder_libname"
41 ], [
42 # 2. if failed, test for binary molecuilder-config
43 AC_PATH_PROG(MoleCuilder_CONFIG, molecuilder-config, no)
44 if test "x$MoleCuilder_CONFIG" = xno && test x$molecuilder_prefix != x ; then
45 AC_MSG_CHECKING([for alternative molecuilder-config location])
46 if test -e $molecuilder_prefix/bin/molecuilder-config; then
47 molecuilder_pkgconfig=no
48 MoleCuilder_CONFIG="$molecuilder_prefix/bin/molecuilder-config"
49 AC_MSG_RESULT([yes])
50 else
51 AC_MSG_RESULT([no])
52 fi
53 fi
54 ])
55
56 else
57 molecuilder_libname="MoleCuilder"
58 PKG_CHECK_MODULES([MoleCuilder], [MoleCuilder >= $molecuilder_version_min], [
59 molecuilder_pkgconfig=yes
60 MoleCuilder_CONFIG="pkg-config $molecuilder_libname"
61 ], [
62 # 2. if failed, test for binary molecuilder-config
63 AC_PATH_PROG(MoleCuilder_CONFIG, molecuilder-config, no)
64 if test "x$MoleCuilder_CONFIG" = xno && test x$molecuilder_prefix != x ; then
65 AC_MSG_CHECKING([for alternative molecuilder-config location])
66 if test -e $molecuilder_prefix/bin/molecuilder-config; then
67 molecuilder_pkgconfig=no
68 MoleCuilder_CONFIG="$molecuilder_prefix/bin/molecuilder-config"
69 AC_MSG_RESULT([yes])
70 else
71 AC_MSG_RESULT([no])
72 fi
73 fi
74 ])
75
76 fi
77
78 # try to set values via MoleCuilder_CONFIG
79 if test "x$MoleCuilder_CONFIG" != xno; then
80 MoleCuilder_CFLAGS=`$MoleCuilder_CONFIG --cflags`
81 if test x$molecuilder_pkgconfig = xno; then
82 MoleCuilder_LIBS=`$MoleCuilder_CONFIG --ldflags --libs`
83 else
84 MoleCuilder_LIBS=`$MoleCuilder_CONFIG --libs`
85 fi
86 #AC_MSG_NOTICE([molecuilder-config found and used.])
87 fi
88
89 # else set by hand (or rather by --with..)
90 if test x$molecuilder_include_prefix != x ; then
91 if test -e $molecuilder_include_prefix/include; then
92 MoleCuilder_CFLAGS="$molecuilder_include_prefix/include"
93 #AC_MSG_NOTICE([molecuilder include found and used.])
94 else
95 AC_MSG_WARN([molecuilder include not found at $molecuilder_include_prefix/include.])
96 fi
97 fi
98 if test x$cp_cv_molecuilder_libs_prefix != x ; then
99 if test -e "$cp_cv_molecuilder_libs_prefix/lib/lib$molecuilder_libname.so"; then
100 MoleCuilder_LIBS="-L$cp_cv_molecuilder_libs_prefix/lib -l$molecuilder_libname"
101 #AC_MSG_NOTICE([molecuilder libs found and used.])
102 else
103 AC_MSG_WARN([molecuilder libs not found at $cp_cv_molecuilder_libs_prefix.])
104 fi
105 fi
106
107 molecuilder="no"
108 if test "x$MoleCuilder_CFLAGS" != "x"; then
109 if test "x$MoleCuilder_LIBS" != "x"; then
110 molecuilder="yes"
111 fi
112 fi
113
114
115 if test x$molecuilder_pkgconfig != xyes; then
116 # check version of lib
117 no_molecuilder=""
118 molecuilder_version=no
119 if test x$molecuilder = xyes; then
120 AC_MSG_CHECKING(for $molecuilder_libname - version >= $molecuilder_version_min)
121 if test "x$MoleCuilder_CONFIG" != xno; then
122 molecuilder_version=`$MoleCuilder_CONFIG --version`
123 else
124 molecuilder_version=""
125 fi
126
127 molecuilder_major_version=`echo $molecuilder_version | \
128 sed 's/\([[0-9]]*\).\([[0-9]]*\).\([[0-9]]*\)/\1/'`
129 molecuilder_minor_version=`echo $molecuilder_version | \
130 sed 's/\([[0-9]]*\).\([[0-9]]*\).\([[0-9]]*\)/\2/'`
131 molecuilder_micro_version=`echo $molecuilder_version | \
132 sed 's/\([[0-9]]*\).\([[0-9]]*\).\([[0-9]]*\)/\3/'`
133
134 #AC_MSG_NOTICE([Version found is: $molecuilder_major_version.$molecuilder_minor_version.$molecuilder_micro_version])
135 #AC_MSG_NOTICE([Version required is: $molecuilder_version_min])
136
137 molecuilder_major_min=`echo $molecuilder_version_min | \
138 sed 's/\([[0-9]]*\).\([[0-9]]*\).\([[0-9]]*\)/\1/'`
139 if test "x${molecuilder_major_min}" = "x" ; then
140 molecuilder_major_min=0
141 fi
142
143 molecuilder_minor_min=`echo $molecuilder_version_min | \
144 sed 's/\([[0-9]]*\).\([[0-9]]*\).\([[0-9]]*\)/\2/'`
145 if test "x${molecuilder_minor_min}" = "x" ; then
146 molecuilder_minor_min=0
147 fi
148
149 molecuilder_micro_min=`echo $molecuilder_version_min | \
150 sed 's/\([[0-9]]*\).\([[0-9]]*\).\([[0-9]]*\)/\3/'`
151 if test "x${molecuilder_micro_min}" = "x" ; then
152 molecuilder_micro_min=0
153 fi
154
155 if test $molecuilder_major_version -lt $molecuilder_major_min; then
156 molecuilder_version_proper=0
157 fi
158 if test $molecuilder_major_version -gt $molecuilder_major_min; then
159 molecuilder_version_proper=1
160 else
161 if test $molecuilder_minor_version -lt $molecuilder_minor_min; then
162 molecuilder_version_proper=0
163 fi
164 if test $molecuilder_minor_version -gt $molecuilder_minor_min; then
165 molecuilder_version_proper=1
166 else
167 if test $molecuilder_micro_version -ge $molecuilder_micro_min; then
168 molecuilder_version_proper=1
169 else
170 molecuilder_version_proper=0
171 fi
172 fi
173 fi
174 #AC_MSG_NOTICE([$molecuilder_version_proper])
175
176 if test $molecuilder_version_proper = 1 ; then
177 molecuilder_version=yes
178 AC_MSG_RESULT([$molecuilder_major_version.$molecuilder_minor_version.$molecuilder_micro_version])
179 else
180 AC_MSG_RESULT(no)
181 molecuilder_version=no
182 fi
183 fi
184 else
185 # with pkg-config version is checked
186 molecuilder_version=yes
187 fi
188 # check presence of lib
189 SAVE_CPPFLAGS="$CPPFLAGS"
190 SAVE_LIBS="$LIBS"
191 CPPFLAGS="$MoleCuilder_CFLAGS"
192 LIBS="$MoleCuilder_LIBS -lboost_thread"
193 if test x$molecuilder_version = xyes; then
194 AC_CACHE_CHECK(for $molecuilder_libname lib, cp_cv_molecuilder_lib, [
195 AC_LANG_PUSH([C++])
196 AC_LINK_IFELSE(
197 [
198 AC_LANG_PROGRAM([
199#include "LinearAlgebra/Vector.hpp"
200], [
201 Vector test;
202 test.Norm();
203])
204 ],[
205 cp_cv_molecuilder_lib="yes"
206 ], [
207 cp_cv_molecuilder_lib="no"
208 ]
209 )
210 AC_LANG_POP([C++])
211 ])
212 fi
213 CPPFLAGS="$SAVE_CPPFLAGS"
214 LIBS="$SAVE_LIBS"
215
216 if test "x$cp_cv_molecuilder_lib" = xyes ; then
217 ifelse([$3], , :, [$3])
218 else
219 MoleCuilder_CFLAGS=""
220 MoleCuilder_LDFLAGS=""
221 MoleCuilder_LIBS=""
222 ifelse([$4], , :, [$4])
223 fi
224
225 AC_SUBST(MoleCuilder_CFLAGS)
226 AC_SUBST(MoleCuilder_LDFLAGS)
227 AC_SUBST(MoleCuilder_LIBS)
228])
229
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