Changeset d1831e

Timestamp:

Feb 2, 2016, 5:50:22 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

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

Children:

3690e4

Parents:

e38750 (diff), b61bd5 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'Fix_debianpackage' into Candidate_v1.5.1

Files:

• configure.ac (modified) (1 diff)
• debian/changelog (modified) (1 diff)
• debian/control (modified) (1 diff)
• m4/qwt.m4 (modified) (2 diffs)

configure.ac

@@ -319 +319 @@
   enable_levmar="no")
 AC_MSG_RESULT($enable_levmar)
-# don't use AS_IF here as it expands (and tests) AC_F77_FUN evene if levmar
+# don't use AS_IF here as it expands (and tests) AC_F77_FUN even if levmar
 # is disabled.
-if test x"$enable_levmar" = x"yes"; then
-        AX_LAPACK([enable_levmar=yes],[enable_levmar=no])
+if test x"$enable_levmar" = xyes; then
+        AX_LAPACK([enable_levmar=yes],
+                [enable_levmar=no
+                AC_MSG_WARN(["Missing LAPACK, disabling off levmar"])
+                ]
+        )
 fi
-AS_IF([test x"$enable_levmar" = x"yes"],[
+AS_IF([test x"$enable_levmar" = xyes],[
+        AC_MSG_CHECKING(for levmar presence via given path )
         AC_ARG_WITH(
                 [levmar],
                 [AS_HELP_STRING([--with-levmar], [give path to LevMar package])],
-                [have_levmar_path=$withval],
+                [have_levmar_path=$withval
+                enable_levmar=yes],
                 [enable_levmar=no])
-                ],[enable_levmar=no])
-AS_IF([test x"$enable_levmar" = x"yes"],[
-        LEVMAR_CPPFLAGS="-I${have_levmar_path}/include"
-        LEVMAR_LDFLAGS="-L${have_levmar_path}/lib"
-        LEVMAR_LIBS="-llevmar"
+        AC_MSG_RESULT($enable_levmar)
+        AS_IF([test -n "$have_levmar_path"],[
+                LEVMAR_CPPFLAGS="-I${have_levmar_path}/include"
+                LEVMAR_LDFLAGS="-L${have_levmar_path}/lib"
+                LEVMAR_LIBS="-llevmar"],[
+                PKG_CHECK_MODULES([LEVMAR],[levmar],[enable_levmar=yes],[
+                        AC_MSG_CHECKING(for levmar presence via locate)
+                        enable_levmar=no
+                        levmar_lib=`locate liblevmar.a | head -n 1 | xargs dirname`
+                        levmar_include=`locate levmar.h | head -n 1 | xargs dirname`
+                        if test -n "$levmar_lib"; then
+                                if test -n "$levmar_include"; then
+                                        enable_levmar=yes
+                                        LEVMAR_CPPFLAGS="-I${levmar_include}"
+                                        LEVMAR_LDFLAGS="-L${levmar_lib}"
+                                        LEVMAR_LIBS="-llevmar"
+                                fi
+                        fi
+                        AC_MSG_RESULT($enable_levmar)
+                ])
+        ])
+        ],[enable_levmar=no]
+)
+AC_MSG_CHECKING(for levmar usability)
+AS_IF([test x"$enable_levmar" = xyes],[
         AC_SUBST(LEVMAR_CPPFLAGS)
         AC_SUBST(LEVMAR_LDFLAGS)
         AC_SUBST(LEVMAR_LIBS)
-        AC_DEFINE(HAVE_LEVMAR,1, ["use levmar for non-linear minimisation/potential fitting."])
-        ],[AC_MSG_WARN(["Missing LAPACK, disabling off levmar"])])
+        AC_DEFINE(HAVE_LEVMAR,1, ["use levmar for non-linear minimisation/potential fitting."])])
+AC_MSG_RESULT($enable_levmar)
 AM_CONDITIONAL([CONDLEVMAR], [test x"$enable_levmar" = x"yes"])
 

debian/changelog

@@ -4 +4 @@
   * This is my first Debian package.
   
- -- Frederik Heber <heber@ins.uni-bonn.de>  Sun, 09 Aug 2015 21:37:00 +0100
+ -- Frederik Heber <heber@molecuilder.com>  Sun, 09 Aug 2015 21:37:00 +0100

debian/control

@@ -4 +4 @@
 Maintainer: Frederik Heber <heber@molecuilder.com>
 Build-Depends: debhelper (>=9), cdbs, autoconf, automake (>=1.11), pkg-config, 
- gfortran, libgpg-error0, libboost-dev (>=1.46), python2.7, libgsl0-dev,
- libcodepatterns (>=1.3.0), levmar (>=2.6), units, libcppunit-dev (>=1.12),
- libqt4-dev (>=4.8.5), 
+ gfortran, libgpg-error0, libboost-dev (>=1.46), libboost-python-dev (>=1.46),
+ libboost-program-options-dev (>=1.46), libboost-serialization-dev (>=1.46),
+ libboost-graph-dev (>=1.46), libboost-system-dev (>=1.46), 
+ libboost-filesystem-dev (>=1.46), libboost-iostreams-dev (>=1.46),
+ libboost-python-dev (>=1.46), python (>=2.7), python-dev (>=2.7), libgsl0-dev, 
+ libcodepatterns-dev (>=1.3.0), liblapack-dev (>= 3.3.1), levmar (>=2.6),
+ units, libcppunit-dev (>=1.12), libqt4-dev (>=4.8.5), libqt4-3d-dev (>=1.0),
+ libqwt5-qt4-dev (>=5.2.2), doxygen (>=1.7.6), graphviz (>= 2.26.3)
 Build-Conflicts: autoconf2.13, automake1.4
 Standards-Version: 3.9.3

m4/qwt.m4

@@ -43 +43 @@
   mol_ac_qwt_name=qwt
   CXXFLAGS="$CXXFLAGS $QT_CFLAGS"
+  if test -z "$mol_ac_qwt_include_path"; then
+        mol_ac_qwt_include_path=`locate qwt.h | xargs dirname`
+  fi
   if test -n "$mol_ac_qwt_include_path"; then
     mol_ac_qwt_cxxflags="-I$mol_ac_qwt_include_path"
@@ -48 +51 @@
   fi
   LDFLAGS="$LDFLAGS $QT_LDFLAGS"
+  if test -z "$mol_ac_qwt_lib_path"; then
+        mol_ac_qwt_lib_path=`locate libqwt-qt4.so | head -n 1 | xargs dirname`
+  fi
   if test -n "$mol_ac_qwt_lib_path"; then
     for mol_ac_qwt_candidate in \