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  1. Oct 26, 2021
  2. Nov 09, 2020
  3. Nov 08, 2020
  4. Jul 23, 2020
  5. Feb 20, 2020
  6. Feb 18, 2020
  7. Feb 17, 2020
  8. Jan 10, 2020
  9. Nov 13, 2019
    • Studer Gabriel's avatar
      Initial Python 3 port commit · 6e60b71d
      Studer Gabriel authored
      This commit doesn't make OpenStructure work with Python 3. The goal of this
      commit was to perform an automated port of the Python code and make it compile.
      The performed steps:
      
      - Edited CMakeLists.txt to search for Python with 3.6 as min version 3.6 is the
        Python version shipped by default with Ubuntu 18.04 LTS
      - Add version 3.6 to cmake_support/FindPython.cmake
      - Adapt setup_boost macro in cmake_support/OST.cmake to prefer versioned
        libraries and not first check for boost_python.so. In the example of
        Ubuntu 18.04, libboost_python.so is specific for Python 2 but
        libboost_python3.so is the one we want.
      - apply the following command: 2to3-2.7 -n -w <OST_DIR>
      - adapt base/pymod/wrap_base.cc, gui/pymod/wrap_gui.cc and
        gui/pymod/export_message_widget.cc as PyString functionalities do not exist
        anymore in the Python 3 interpreter (replaced by PyUnicode)
      - adapt gui/src/python_shell/python_interpreter_worker.hh to resolve issue
        discussed in https://stackoverflow.com/questions/23068700/embedding-python3-in-qt-5
        Long story short: Qt does a typedef for "slots" which causes trouble with
        other headers that are pulled in from the Python interpreter
      6e60b71d
  10. Aug 12, 2019
  11. Jul 10, 2019
  12. Jun 14, 2019
  13. May 15, 2019
  14. Feb 14, 2019
  15. Jan 10, 2019
  16. Jan 09, 2019
    • Studer Gabriel's avatar
      use system-provided SQLite3 library · bc703a5e
      Studer Gabriel authored
      The reason is that we want to profit from latest security updates and
      therefore not use a copy of the SQLite3 source code that becomes outdated.
      
      ToDo: test on different Linux distributions / bc2 and adapt compile
      instructions accordingly, also container recipes must be adapted.
      bc703a5e
  17. Nov 22, 2018
  18. Aug 14, 2018
  19. Mar 22, 2018
  20. Mar 17, 2018
  21. Mar 13, 2018
    • Studer Gabriel's avatar
      initial commit to use QT5 instead of QT4 · b5541f78
      Studer Gabriel authored
      What is NOT done yet:
      - OpenGL context of QOpenGLWindow must be made
        active before calling any GL function in scene.cc. The wrong
        GL context is active otherwise.
      - cmake polishing
      - final grepping for QT4 leftovers
      b5541f78
  22. Feb 27, 2018
  23. Jul 28, 2017
  24. Jun 23, 2016
  25. Mar 01, 2016
  26. Jul 01, 2015
  27. Jun 26, 2015
    • Studer Gabriel's avatar
      port openstructure dependency from Eigen2 to Eigen3 · 62921b7a
      Studer Gabriel authored
      changes:
      
      -GetPrincipalAxes in Vec3List
       Results with Eigen3 have been verified with 10 randomly picked pdb structures.
       Differences only occur with changing signs of the vectors.
      
      -CalcPrincipalAxis in BoundingBox
       No difference in algorithm, the SelfAdjointEigenSolver no lives in
       Eigenvalues. Does in principal the same thing as the function above,
       just using different functionality.
      
      -SVD superposer
       Unit tests still run through with the changes introduced for Eigen3
       and also manual testing seems to work well.
      
      -CartoonRenderer
       Principal axes calculation for rendering helices as cylinders had to be
       adapted. Rendering looks exactly the same...
      
      -SuperposeFrames
       Not yet tested...
      
      ToDo:
      numeric.h and levenberg_marquardt.h in the img/alg module have to be
      ported. This will be done in the next few days.
      62921b7a
  28. May 28, 2015
  29. May 05, 2015
  30. Nov 26, 2014
  31. Sep 15, 2014
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