since my automake structure is now ready for rpmbuild, the version number is increased.

ChangeLog

@@ -12,6 +12,17 @@ or
 
 https://bitbucket.org/muonspin/musrfit/commits/all
 
+Release of V1.2.0, 2017/10/26
+=============================
+
+Adopted to be ready for rpm builds in a first step. This will be followed by debian style
+packages.
+
+Release of V1.1.0, 2017/10/26
+=============================
+
+Added full DKS support, i.e. additionally to CUDA also OpenCL for GPU's and CPU's in place.
+
 Release of V1.0.0, 2017/05/18
 =============================
 

configure.ac

@@ -1,7 +1,7 @@
 AC_REVISION([m4_esyscmd_s([git describe --always])])
 
 AC_PREREQ(2.63)
-AC_INIT([musrfit],[1.0.0],[andreas.suter@psi.ch])
+AC_INIT([musrfit],[1.2.0],[andreas.suter@psi.ch])
 AC_CONFIG_AUX_DIR(admin)
 AC_CANONICAL_HOST
 #AC_MSG_RESULT([${host} ${host_cpu} ${host_vendor} ${host_os}])
@@ -35,7 +35,7 @@ dnl -----------------------------------------------
 
 #release versioning
 MUSR_MAJOR_VERSION=1
-MUSR_MINOR_VERSION=0
+MUSR_MINOR_VERSION=2
 MUSR_MICRO_VERSION=0
 
 #release versioning
@@ -421,7 +421,7 @@ dnl -----------------------------------------------
 dnl Check for ROOT
 dnl -----------------------------------------------
 
-ROOT_PATH([5.22/00], [], AC_MSG_ERROR([Either ROOT is not installed correctly or the version is too old... please check!]))
+ROOT_PATH([6.06/00], [], AC_MSG_ERROR([Either ROOT is not installed correctly or the version is too old... please check!]))
 
 ROOT_LIBS="-L${ROOTLIBDIR} ${ROOTGLIBS} ${ROOTAUXLIBS} -lMinuit2 -lMathMore -lXMLParser"
 ROOT_CFLAGS="-I${ROOTINCDIR} ${ROOTCFLAGS} ${ROOTAUXCFLAGS}"
@@ -1000,6 +1000,14 @@ if test "x$enable_editor" != "xno"; then
               [PKG_CHECK_MODULES(QT3MT, qt-mt >= 3.3.0 qt-mt < 4.0, [QT3MT_FOUND=yes], [QT3MT_FOUND=no])]
             )]
           )
+        fi        
+        if test "x${QT5_FOUND}" != "xyes"; then
+          PKG_CHECK_MODULES(QT5, Qt5WebEngine >= $QT5MINVER Qt5Xml >= $QT5MINVER, [QT5_FOUND=yes],
+            [AC_MSG_NOTICE([Qt5 (including Qt5WebEngine and Qt5Xml) not found!])
+             PKG_CHECK_MODULES(QT3, qt >= 3.3.0 qt < 4.0, [QT3_FOUND=yes],
+              [PKG_CHECK_MODULES(QT3MT, qt-mt >= 3.3.0 qt-mt < 4.0, [QT3MT_FOUND=yes], [QT3MT_FOUND=no])]
+            )]
+          )
         fi]
   )
 
@@ -1024,6 +1032,12 @@ if test "x$enable_editor" != "xno"; then
         QTEDITOR=musrgui
       fi
 
+      dnl if Qt5 but Qt5WebEngine instead of Qt5WebKit
+      if test "x$QTPATH" = "x"; then
+        QTPATH=$(pkg-config --variable=prefix Qt5WebEngine)
+        QTEDITOR=musredit_qt5
+      fi
+      
       AC_MSG_CHECKING([for qmake])
       if test "x${QTPATH}" != "xnone"; then
         if test "x$QTEDITOR" = "xmusredit_qt5"; then
@@ -1147,6 +1161,7 @@ case "$host" in
   *-*-darwin*)
     ARCH=DARWIN
     LOCAL_PSIBIN_LIB_CXXFLAGS="${LOCAL_LIB_CXXFLAGS} -D_Darwin_"
+    LOCAL_BIN_LDFLAGS="${LOCAL_BIN_LDFLAGS} -Wl,-rpath ${ROOTLIBDIR}"
     ;;
   *)
     ARCH=OTHERUNIX
@@ -1197,11 +1212,24 @@ else
   INSTALLDIR="${prefix}"
 fi
 
-if test -d "${INSTALLDIR}/doc"
+dnl only define DOCDIR if not already present. This allows
+dnl to feed DOCDIR on the configure level which is useful when
+dnl for instance building a rpm. DOCDIR2 is needed for rpmbuild only
+if test "x${DOCDIR}" = "x"
 then
-  DOCDIR="${INSTALLDIR}/doc/musrfit"
+  if test -d "${INSTALLDIR}/doc"
+  then
+    DOCDIR="${INSTALLDIR}/doc/musrfit"
+  else
+    DOCDIR="${INSTALLDIR}/share/doc/musrfit"
+  fi
 else
-  DOCDIR="${INSTALLDIR}/share/doc/musrfit"
+  if test -d "${INSTALLDIR}/doc"
+  then
+    DOCDIR2="${INSTALLDIR}/doc/musrfit"
+  else
+    DOCDIR2="${INSTALLDIR}/share/doc/musrfit"
+  fi
 fi
 
 AC_SUBST(DOCDIR)
@@ -1426,12 +1454,21 @@ echo ""
 
 dnl --------------
 dnl create header file that musredit knows at runtime where to find the documentation
+dnl the DOCDIR2 tag is used for rpmbuild only
 dnl --------------
 if test "x$enable_editor" != "xno" && test "x${QMAKEBIN}" != "x" && test "x${QTEDITOR}" = "xmusredit_qt5"; then
   echo \#define MUSRFIT_PREFIX \"${INSTALLDIR}\" > src/musredit_qt5/musrfit-info.h
-  echo \#define MUSRFIT_DOC_DIR \"${DOCDIR}\" >> src/musredit_qt5/musrfit-info.h
+  if test "x$DOCDIR2" = "x"; then
+    echo \#define MUSRFIT_DOC_DIR \"${DOCDIR}\" >> src/musredit_qt5/musrfit-info.h
+  else 
+    echo \#define MUSRFIT_DOC_DIR \"${DOCDIR2}\" >> src/musredit_qt5/musrfit-info.h
+  fi
 fi
 if test "x$enable_editor" != "xno" && test "x${QMAKEBIN}" != "x" && test "x${QTEDITOR}" = "xmusredit"; then
   echo \#define MUSRFIT_PREFIX \"${INSTALLDIR}\" > src/musredit/musrfit-info.h
-  echo \#define MUSRFIT_DOC_DIR \"${DOCDIR}\" >> src/musredit/musrfit-info.h
+  if test "x$DOCDIR2" = "x"; then
+    echo \#define MUSRFIT_DOC_DIR \"${DOCDIR}\" >> src/musredit/musrfit-info.h
+  else
+    echo \#define MUSRFIT_DOC_DIR \"${DOCDIR2}\" >> src/musredit/musrfit-info.h
+  fi
 fi

doc/examples/test-asy-LF-BaB6.msr

@@ -0,0 +1,60 @@
+BaB6 T20K LF5G                                                
+###############################################################
+FITPARAMETER
+#      Nr. Name        Value     Step      Pos_Error  Boundaries
+        1 alpha       0.7       0           none        0       none    
+        2 asy         0.2091    -0.0013     0.0013      0       0.33    
+        3 field       2.127     0           none        0       none    
+        4 width       0.5387    -0.0054     0.0055      0       100     
+        5 hopp        0.119     -0.013      0.014       0       100     
+        6 asyConst    0         0           none        
+
+###############################################################
+THEORY
+asymmetry      2
+dynGssKTLF  fun1     4     5    (frequency damping hopping-rate)
++
+asymmetry      6
+
+###############################################################
+FUNCTIONS
+fun1 = par3 * gamma_mu
+
+###############################################################
+RUN data/deltat_tdc_dolly_1020 PIE1 PSI PSI-BIN   (name beamline institute data-file-format)
+fittype         2         (asymmetry fit)
+alpha           1
+map             0    0    0    0    0    0    0    0    0    0
+forward         2 
+backward        1 
+background      15      146     13      148        # estimated bkg: 20.4846 / 4.8731
+data            170     9956    168     9110    
+t0              160.0   161.0   
+fit             0.25    10     
+packing         5
+
+###############################################################
+COMMANDS
+MINIMIZE
+MINOS
+SAVE
+
+###############################################################
+FOURIER
+units            Gauss   # units either 'Gauss', 'MHz', or 'Mc/s'
+fourier_power    12
+apodization      STRONG  # NONE, WEAK, MEDIUM, STRONG
+plot             POWER   # REAL, IMAG, REAL_AND_IMAG, POWER, PHASE
+phase            8
+#range_for_phase_correction 50.0 70.0
+range            0    800
+
+###############################################################
+PLOT 2   (asymmetry plot)
+runs     1   
+range    0   9.5   -0.15   0.3
+view_packing 150
+
+###############################################################
+STATISTIC --- 2013-07-01 20:40:44
+  chisq = 1911.7, NDF = 1905, chisq/NDF = 1.003494

doc/musrfit_dox.cfg

@@ -23,7 +23,7 @@ PROJECT_NAME           = musrfit
 # This could be handy for archiving the generated documentation or 
 # if some version control system is used.
 
-PROJECT_NUMBER         = 0.14.0
+PROJECT_NUMBER         = 1.1.0
 
 # The OUTPUT_DIRECTORY tag is used to specify the (relative or absolute) 
 # base path where the generated documentation will be put. 
@@ -462,8 +462,9 @@ WARN_LOGFILE           =
 INPUT                  = musrfit.dox \
                          ../src/include/PFitterFcn.h \
                          ../src/include/PFitter.h \
-                         ../src/include/PFourier.h \
                          ../src/include/PFourierCanvas.h \
+                         ../src/include/PFourierCanvasLinkDef.h \
+                         ../src/include/PFourier.h \
                          ../src/include/PFunctionGrammar.h \
                          ../src/include/PFunction.h \
                          ../src/include/PFunctionHandler.h \
@@ -476,12 +477,14 @@ INPUT                  = musrfit.dox \
                          ../src/include/PMusrT0LinkDef.h \
                          ../src/include/PPrepFourier.h \
                          ../src/include/PRunAsymmetry.h \
+                         ../src/include/PRunAsymmetryRRF.h \
                          ../src/include/PRunBase.h \
                          ../src/include/PRunDataHandler.h \
                          ../src/include/PRunListCollection.h \
                          ../src/include/PRunMuMinus.h \
                          ../src/include/PRunNonMusr.h \
                          ../src/include/PRunSingleHisto.h \
+                         ../src/include/PRunSingleHistoRRF.h \
                          ../src/include/PStartupHandler.h \
                          ../src/include/PStartupHandlerLinkDef.h \
                          ../src/include/PTheory.h \
@@ -490,8 +493,8 @@ INPUT                  = musrfit.dox \
                          ../src/include/PUserFcn.h \
                          ../src/classes/PFitter.cpp \
                          ../src/classes/PFitterFcn.cpp \
-                         ../src/classes/PFourier.cpp \
                          ../src/classes/PFourierCanvas.cpp \
+                         ../src/classes/PFourier.cpp \
                          ../src/classes/PFunction.cpp \
                          ../src/classes/PFunctionHandler.cpp \
 			 ../src/classes/PMsr2Data.cpp \
@@ -501,12 +504,14 @@ INPUT                  = musrfit.dox \
 			 ../src/classes/PMusrT0.cpp \
                          ../src/classes/PPrepFourier.cpp \
                          ../src/classes/PRunAsymmetry.cpp \
+                         ../src/classes/PRunAsymmetryRRF.cpp \
                          ../src/classes/PRunBase.cpp \
                          ../src/classes/PRunDataHandler.cpp \
                          ../src/classes/PRunListCollection.cpp \
                          ../src/classes/PRunMuMinus.cpp \
                          ../src/classes/PRunNonMusr.cpp \
                          ../src/classes/PRunSingleHisto.cpp \
+                         ../src/classes/PRunSingleHistoRRF.cpp \
                          ../src/classes/PStartupHandler.cpp \
                          ../src/classes/PTheory.cpp \
                          ../src/classes/PUserFcnBase.cpp \

src/classes/PMusrCanvas.cpp

@@ -4595,14 +4595,8 @@ void PMusrCanvas::PlotData(Bool_t unzoom)
               dataYmax = GetMaximum(fData[i].data, dataXmin, dataXmax);
           }
           Double_t dd = 0.05*fabs(dataYmax-dataYmin);
-          if (!fMsrHandler->GetMsrPlotList()->at(fPlotNumber).fLogY) {
+          dataYmin -= dd;
-            dataYmin -= dd;
+          dataYmax += dd;
-            dataYmax += dd;
-          } else {
-            if (dataYmin < 0)
-              dataYmin = 0.1;
-            dataYmax += dd;
-          }
         }
       } else { // set the x-/y-range to the previous fHistoFrame range
         dataXmin = xmin;
@@ -4620,16 +4614,13 @@ void PMusrCanvas::PlotData(Bool_t unzoom)
               dataYmax = GetMaximum(fData[i].data, dataXmin, dataXmax);
           }
           Double_t dd = 0.05*fabs(dataYmax-dataYmin);
-          if (!fMsrHandler->GetMsrPlotList()->at(fPlotNumber).fLogY) {
+          dataYmin -= dd;
-            dataYmin -= dd;
+          dataYmax += dd;
-            dataYmax += dd;
-          } else {
-            if (dataYmin < 0)
-              dataYmin = 0.1;
-            dataYmax += dd;
-          }
         }
       }
+      if (fMsrHandler->GetMsrPlotList()->at(fPlotNumber).fLogY) {
+        dataYmin = 1.0e-4 * dataYmax;
+      }
 
       // create histo frame in order to plot histograms possibly with different x-frames
       fHistoFrame = fDataTheoryPad->DrawFrame(dataXmin, dataYmin, dataXmax, dataYmax);
@@ -4751,14 +4742,8 @@ void PMusrCanvas::PlotData(Bool_t unzoom)
               dataYmax = GetMaximum(fNonMusrData[i].data, dataXmin, dataXmax);
           }
           Double_t dd = 0.05*fabs(dataYmax-dataYmin);
-          if (!fMsrHandler->GetMsrPlotList()->at(fPlotNumber).fLogY) {
+          dataYmin -= dd;
-            dataYmin -= dd;
+          dataYmax += dd;
-            dataYmax += dd;
-          } else {
-            if (dataYmin < 0)
-              dataYmin = 0.1;
-            dataYmax += dd;
-          }
         }
       } else { // set the x-/y-range to the previous fHistoFrame range
         dataXmin = xmin;
@@ -4776,16 +4761,14 @@ void PMusrCanvas::PlotData(Bool_t unzoom)
               dataYmax = GetMaximum(fNonMusrData[i].data, dataXmin, dataXmax);
           }
           Double_t dd = 0.05*fabs(dataYmax-dataYmin);
-          if (!fMsrHandler->GetMsrPlotList()->at(fPlotNumber).fLogY) {
+          dataYmin -= dd;
-            dataYmin -= dd;
+          dataYmax += dd;
-            dataYmax += dd;
-          } else {
-            if (dataYmin < 0)
-              dataYmin = 0.1;
-            dataYmax += dd;
-          }
         }
       }
+      if (fMsrHandler->GetMsrPlotList()->at(fPlotNumber).fLogY) {
+        if (dataYmin <= 0.0)
+          dataYmin = 1.0e-4 * dataYmax;
+      }
 
       // create fMultiGraphData, and add all data and theory
       fMultiGraphData = new TMultiGraph();

src/classes/PRunDataHandler.cpp

@@ -6154,7 +6154,7 @@ bool PRunDataHandler::DateToISO8601(string inDate, string &iso8601Date)
     return false;
 
   TString str("");
-  str.Form("%04d-%02d-%02d", 1900+tm.tm_year, tm.tm_mon, tm.tm_mday);
+  str.Form("%04d-%02d-%02d", 1900+tm.tm_year, tm.tm_mon+1, tm.tm_mday);
 
   iso8601Date = str.Data();
 
@@ -6187,7 +6187,7 @@ void PRunDataHandler::SplitTimeDate(TString timeData, TString &time, TString &da
   }
 
   time = TString::Format("%02d:%02d:%02d", tm.tm_hour, tm.tm_min, tm.tm_sec);
-  date = TString::Format("%04d-%02d-%02d", tm.tm_year+1900, tm.tm_mon, tm.tm_mday);
+  date = TString::Format("%04d-%02d-%02d", tm.tm_year+1900, tm.tm_mon+1, tm.tm_mday);
 }
 
 //--------------------------------------------------------------------------

src/classes/PStartupHandler.cpp

@@ -629,8 +629,6 @@ Bool_t PStartupHandler::WriteDefaultStartupFile()
   fout << "    <comment>" << endl;
   fout << "        Defines default settings for the musrfit package" << endl;
   fout << "    </comment>" << endl;
-  fout << "    <data_path>/mnt/data/nemu/his</data_path>" << endl;
-  fout << "    <data_path>/mnt/data/nemu/wkm</data_path>" << endl;
   fout << "    <data_path>/afs/psi.ch/project/nemu/data/his</data_path>" << endl;
   fout << "    <data_path>/afs/psi.ch/project/nemu/data/wkm</data_path>" << endl;
   fout << "    <data_path>/afs/psi.ch/project/bulkmusr/data/gps</data_path>" << endl;

src/classes/PTheory.cpp

@@ -2687,14 +2687,14 @@ void PTheory::CalculateGaussLFIntegral(const Double_t *val) const
   fLFIntegral.push_back(0.0); // start value of the integral
 
   ft = 0.0;
-  Double_t step = 0.0, lastStep = 1.0, diff = 0.0;
+  Double_t step = 0.0, lastft = 1.0, diff = 0.0;
   do {
     t  += dt;
     step = 0.5*dt*preFactor*(exp(-0.5*pow(Delta * (t-dt), 2.0))*sin(w0*(t-dt))+
                              exp(-0.5*pow(Delta * t, 2.0))*sin(w0*t));
-    diff = fabs(fabs(step)-fabs(lastStep));
-    lastStep = step;
     ft += step;
+    diff = fabs(fabs(lastft)-fabs(ft));
+    lastft = ft;
     fLFIntegral.push_back(ft);
   } while ((t <= 20.0) && (diff > 1.0e-10));
 }
@@ -2762,13 +2762,13 @@ void PTheory::CalculateLorentzLFIntegral(const Double_t *val) const
   ft += 0.5*dt*preFactor*(1.0+sin(w0*t)/(w0*t)*exp(-a*t));
   fLFIntegral.push_back(ft);
   // calculate all the other integral bin values
-  Double_t step = 0.0, lastStep = 1.0, diff = 0.0;
+  Double_t step = 0.0, lastft = 1.0, diff = 0.0;
   do {
     t  += dt;
     step = 0.5*dt*preFactor*(sin(w0*(t-dt))/(w0*(t-dt))*exp(-a*(t-dt))+sin(w0*t)/(w0*t)*exp(-a*t));
-    diff = fabs(fabs(step)-fabs(lastStep));
-    lastStep = step;
     ft += step;
+    diff = fabs(fabs(lastft)-fabs(ft));
+    lastft = ft;
     fLFIntegral.push_back(ft);
   } while ((t <= 20.0) && (diff > 1.0e-10));
 }
@@ -2792,7 +2792,7 @@ Double_t PTheory::GetLFIntegralValue(const Double_t t) const
   if (idx + 2 > fLFIntegral.size())
     return fLFIntegral.back();
 
-  // linearly interpolate between the two relvant function bins
+  // linearly interpolate between the two relevant function bins
   Double_t df = (fLFIntegral[idx+1]-fLFIntegral[idx])*(t/fSamplingTime-static_cast<Double_t>(idx));
 
   return fLFIntegral[idx]+df;

src/musredit_qt5/musredit/PTextEdit.cpp

@@ -2589,7 +2589,8 @@ void PTextEdit::musrSwapMsrMlog()
   // get current file name
   QString currentFileName = *fFilenames.find( currentEditor() );
   QString swapFileName;
-  QString tempFileName = QString("__swap__.msr");
+  QProcessEnvironment env = QProcessEnvironment::systemEnvironment();
+  QString tempFileName = QString("%1/.musrfit/__swap__.msr").arg(env.value("HOME"));
 
   // check if it is a msr-, mlog-, or another file
   int idx;
@@ -3027,10 +3028,15 @@ void PTextEdit::getTheme()
 
   QString str = QIcon::themeName();
 
+  qDebug() << "debug> str=" << str << endl;
+
   if (str.contains("dark", Qt::CaseInsensitive)) {
     fDarkTheme = true;
     if (str.contains("ubuntu", Qt::CaseInsensitive)) {
       fDarkToolBarIcon = false;
+    } else if (str.contains("xfce", Qt::CaseInsensitive)) {
+      fDarkTheme = false;
+      fDarkToolBarIcon = false;
     } else {
       fDarkToolBarIcon = true;
     }