- Nov 27, 2019
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Studer Gabriel authored
Due to different sorting behaviour in Python 2 and 3, the found symmetry groups might differ while still being conceptually correct. Instead of expecting exact results, the unit test now only checks for the number of found groups and their size. Size is checked on the first element, equal size of those elements is checked elsewhere.
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- Nov 26, 2019
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Studer Gabriel authored
import_array() must be called when the numpy C-API is called. This is a macro that in our case defined a return value that makes the compiler complain. The added #define statement enforces no return value
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Studer Gabriel authored
- Fix python code that is injected into python interpreter - Proper error handling => fatal_error to stop cmake run if numpy not found
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Studer Gabriel authored
This can happen if python has been compiled with a specialized malloc.
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Studer Gabriel authored
In Python 2, this assignment had the effect that the whole property (and it's lazy evaluation functionality) was completely overwritten and the private _chain_mapping was useless afterwards. Python 3 raises an AttributeError instead ("can't set attribute").
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- Nov 25, 2019
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Studer Gabriel authored
python 2: [1,2,3,4,5,6] >= whatever_int => True python 3: [1,2,3,4,5,6] >= whatever_int => TypeError
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Studer Gabriel authored
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- Nov 23, 2019
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Studer Gabriel authored
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- Nov 21, 2019
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Studer Gabriel authored
checked with: https://github.com/realbigws/DeepAlign commit: cff7c39c89c6706858532b55567083823a0f2657
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- Nov 20, 2019
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
This enables string encoding in passed streams => stdout and stderr
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Studer Gabriel authored
This enables string encoding in passed streams => stdout and stderr
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Studer Gabriel authored
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Studer Gabriel authored
This enables string encoding in passed streams => stdout and stderr
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Studer Gabriel authored
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Studer Gabriel authored
This enables string encoding in passed streams => stdout and stderr
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Studer Gabriel authored
This enables string encoding in passed streams => stdout and stderr
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Studer Gabriel authored
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Studer Gabriel authored
This enables string encoding in passed streams => stdout and stderr
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Studer Gabriel authored
This enables string encoding in passed streams => stdout and stderr
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- Nov 15, 2019
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Studer Gabriel authored
Executed command: 2to3-2.7 -n -w actions/ost-compare-structures
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
execfile has been replaced by exec in Python 3
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Studer Gabriel authored
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Studer Gabriel authored
Previously we only had next, which is Python 2 compatible. Now we have both.
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Studer Gabriel authored
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Studer Gabriel authored
in Python 2: 1/2=0 in Python 3: 1/2 = 0.5
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Studer Gabriel authored
Python 3 rounds towards the nearest even number if its in the middle of two integers as opposed to Python 2 that simply rounds to the higher integer number. By doing that we avoid biases towards higher numbers.
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Studer Gabriel authored
A simple function returing True or False is also not sufficient anymore. functools.cmp_to_key comes to the rescue.
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Studer Gabriel authored
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Studer Gabriel authored
Python 2 allows for boolean comparisons with None, Python 3 does not.
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Studer Gabriel authored
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Studer Gabriel authored
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Studer Gabriel authored
That's the Python modules we generate with boost.python. 2to3 misses them
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Studer Gabriel authored
Executed command: 2to3-2.7 -n -w scripts/ost_startup.py.in
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- 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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- Oct 23, 2019
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Studer Gabriel authored
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