peakFit

Anaylze TOF spectra averaged by TOF-Tracer (https://github.com/lukasfischer83/TOF-Tracer2) to generate masslists.

Requirements

Needs Qt5, eigen3, libhdf5 and qtcustomplot. For static compilation (no dlls, running on every system) you need a statically compiled Qt5.

Compilation on Linux/Ubuntu:

Download and install Qt5, mesa libs and libhdf5 ( sudo apt install qtcreator libhdf5-serial-dev mesa-common-dev libgl1-mesa-dev) Unpack libs.zip to parent folder of source like this:

peakFit
   main.cpp
   ...
libs
   qcustomplot
   eigen-eigen232....

start QT creator, load project file and run qmake and build all

Compilation on Windows:

Download and install Qt5 with MinGW as compiler Download eigen3 and extract next to peakFit directory

Building HDF5 with CMake and MinGW packaged with Qt Distribution

(Tested with CMake-hdf5-1.8.16, confirmed not working on >1.10?) WARNING: Don't use any blank spaces in directory names, otherwhise compilation will fail (HDF5)! Download CMake HDF5 source and extract (https://www.hdfgroup.org/downloads/hdf5/source-code/ --> Building HDF5 with CMake) Get CMake and install with default options (Add to PATH) Add C:\Qt\Tools\mingwXXX_32\bin to PATH (Windows System Properties --> Advanced --> Environment Variables --> System Variables --> Path) REBOOT to have mingw in Path

Generate a makefile for MinGW Build

• Start CMakeGui
• Choose "Browse Source..." and point to HDF5 source folder
• Choose "Browse Build..." and select a target for the binaries (Warning: does not create a subfolder, so create one!)
• specify Generator: MinGW Makefiles
• select "Specify native compilers"
• browse to compilers in C:/Qt/Tools/mingwXXX_32/bin/ (for default Qt installation) ( C:gcc, C++:g++, Fortran:gfortran)
• Uncheck unnecessary configure flags: HDF5_BUILD_EXAMPLES, HDF5_BUILD_TOOLS
• Re-run Configure
• Run Generate

Compile:

• in a shell go to target path choosen in CMakeGui
• run mingw32-make.exe
• Grab a coffee

The libs should now be in the target\bin folder.

Compile in Qt Creator

• Open Project
• Adjust include Paths for eigen3 and HDF5 Lib in manualPeakFitter.pro
• Run Qmake
• Compile

Optional: Compile Qt Statically and create standalone .exe

TODO