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Merge pull request #313630 from natsukium/openmm/fix

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python311Packages.openmm: fix installPhase
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Weijia Wang 2024-05-22 14:48:43 +02:00 committed by GitHub
commit 4e0a31f582
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1 changed files with 6 additions and 3 deletions
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9
pkgs/development/libraries/science/chemistry/openmm/default.nix
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@ -42,6 +42,10 @@ stdenv.mkDerivation rec {
swig
doxygen
python3Packages.python
] ++ lib.optionals enablePython [
python3Packages.build
python3Packages.installer
python3Packages.wheel
] ++ lib.optional enableCuda addOpenGLRunpath;
buildInputs = [ fftwSinglePrec ]
@ -84,9 +88,8 @@ stdenv.mkDerivation rec {
export OPENMM_LIB_PATH=$out/lib
export OPENMM_INCLUDE_PATH=$out/include
cd python
${python3Packages.python.pythonOnBuildForHost.interpreter} setup.py build
${python3Packages.python.pythonOnBuildForHost.interpreter} setup.py install --prefix=$out
mv $out/lib/python*/site-packages/OpenMM*.egg/{openmm,simtk} $out/lib/python*/site-packages/.
${python3Packages.python.pythonOnBuildForHost.interpreter} -m build --no-isolation --outdir dist/ --wheel
${python3Packages.python.pythonOnBuildForHost.interpreter} -m installer --prefix $out dist/*.whl
'';
postFixup = ''