- Nov 13, 2019
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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
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- Aug 12, 2019
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Gerardo Tauriello authored
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- Jul 10, 2019
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- Jun 14, 2019
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Gerardo Tauriello authored
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- May 15, 2019
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Studer Gabriel authored
hasn't been used/tested for years
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- Feb 14, 2019
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Studer Gabriel authored
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- Jan 10, 2019
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Studer Gabriel authored
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- Jan 09, 2019
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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we want to profit from latest security updates and therefore not use a copy of the SQLite3 source code that becomes outdated.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.
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- Nov 22, 2018
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Gerardo Tauriello authored
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- Aug 14, 2018
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- Mar 22, 2018
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Rafal Gumienny authored
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- Mar 17, 2018
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Studer Gabriel authored
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- Mar 13, 2018
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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
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- Feb 27, 2018
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Bienchen authored
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- Jul 28, 2017
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Gerardo Tauriello authored
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- Jun 23, 2016
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Bienchen authored
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- Mar 01, 2016
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Bienchen authored
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- Jul 01, 2015
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Studer Gabriel authored
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- Jun 26, 2015
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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.
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- May 28, 2015
- May 05, 2015
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Bienchen authored
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- Nov 26, 2014
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BIOPZ-Johner Niklaus authored
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- Sep 15, 2014
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Studer Gabriel authored
OpenMM library run cmake with -DENABLE_MM=1 if you can successfully compile, check out the examples in the modules/mol/mm/examples directory
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- Oct 30, 2013
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Andreas Schenk authored
fixed lddt compilation on Windows removed DLLEXPORTS from pdbsize.cc
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- Oct 27, 2013
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Marco Biasini authored
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- Sep 13, 2013
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Bienchen authored
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- Aug 23, 2013
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Andreas Schenk authored
Refactored FindEigen.cmake to adhere to cmake guidelines Adapted master CMakeLists.txt to changes in find modules
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- Jul 12, 2013
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Bienchen authored
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- Jun 07, 2013
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Valerio Mariani authored
Substitutes DEBIAN_STYLE_LIBEXEC flag and manages location and name of lib and libexec folders on Debian/Ubuntu-based systems
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- May 10, 2013
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Andreas Schenk authored
fix master CMakeLists.txt to only add -Wno-attributes for newer compilers (not all older compilers have that option)
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ansgar authored
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- May 08, 2013
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Ansgar Philippsen authored
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Marco Biasini authored
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- Mar 18, 2013
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- Feb 22, 2013
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Marco Biasini authored
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- Feb 01, 2013
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Andreas Schenk authored
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- Nov 27, 2012
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Marco Biasini authored
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Marco Biasini authored
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