diff options
| author | natsukium <tomoya.otabi@gmail.com> | 2024-05-22 19:03:16 +0900 |
|---|---|---|
| committer | natsukium <tomoya.otabi@gmail.com> | 2024-05-22 19:04:08 +0900 |
| commit | d2797c47910903d0772d51466f531c58409b6be2 (patch) | |
| tree | 3f481c0439a2fbb0c8e567d039932ceefa28eca3 /pkgs/development/libraries/science | |
| parent | a2ab4d5ae9cbda096b021273eb9faefbf0065e5e (diff) | |
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.
Diffstat (limited to 'pkgs/development/libraries/science')
| -rw-r--r-- | pkgs/development/libraries/science/chemistry/openmm/default.nix | 9 |
1 files changed, 6 insertions, 3 deletions
diff --git a/pkgs/development/libraries/science/chemistry/openmm/default.nix b/pkgs/development/libraries/science/chemistry/openmm/default.nix index d146fa073dc34..723ced8b2a590 100644 --- a/pkgs/development/libraries/science/chemistry/openmm/default.nix +++ b/pkgs/development/libraries/science/chemistry/openmm/default.nix @@ -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 = '' |