python311Packages.openmm: fix installPhase
There was a change in the wrapper installation process in the 8.1.0. This caused metadata to not be placed in the proper location, and downstream packages like pdbfixer could not find openmm at build time. This change replaces the deprecated `setup.py build/install` with modern modules, `build` and `installer` and fixes the above issue.
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@ -42,6 +42,10 @@ stdenv.mkDerivation rec {
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swig
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doxygen
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python3Packages.python
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] ++ lib.optionals enablePython [
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python3Packages.build
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python3Packages.installer
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python3Packages.wheel
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] ++ lib.optional enableCuda addOpenGLRunpath;
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buildInputs = [ fftwSinglePrec ]
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@ -84,9 +88,8 @@ stdenv.mkDerivation rec {
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export OPENMM_LIB_PATH=$out/lib
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export OPENMM_INCLUDE_PATH=$out/include
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cd python
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${python3Packages.python.pythonOnBuildForHost.interpreter} setup.py build
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${python3Packages.python.pythonOnBuildForHost.interpreter} setup.py install --prefix=$out
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mv $out/lib/python*/site-packages/OpenMM*.egg/{openmm,simtk} $out/lib/python*/site-packages/.
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${python3Packages.python.pythonOnBuildForHost.interpreter} -m build --no-isolation --outdir dist/ --wheel
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${python3Packages.python.pythonOnBuildForHost.interpreter} -m installer --prefix $out dist/*.whl
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'';
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postFixup = ''
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