Unverified Commit 4e0a31f5 authored by Weijia Wang's avatar Weijia Wang Committed by GitHub
Browse files

Merge pull request #313630 from natsukium/openmm/fix 

python311Packages.openmm: fix installPhase
parents 829298ee d2797c47

pkgs/development/libraries/science/chemistry/openmm/default.nix

+6 −3
Original line number Diff line number Diff line
@@ -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 = ''