diff options
Diffstat (limited to 'pkgs/development/libraries/science/chemistry/openmm/default.nix')
-rw-r--r-- | pkgs/development/libraries/science/chemistry/openmm/default.nix | 6 |
1 files changed, 4 insertions, 2 deletions
diff --git a/pkgs/development/libraries/science/chemistry/openmm/default.nix b/pkgs/development/libraries/science/chemistry/openmm/default.nix index 349c3be82b96..94a88bbf819a 100644 --- a/pkgs/development/libraries/science/chemistry/openmm/default.nix +++ b/pkgs/development/libraries/science/chemistry/openmm/default.nix @@ -19,13 +19,13 @@ stdenv.mkDerivation rec { pname = "openmm"; - version = "8.0.0"; + version = "8.1.0"; src = fetchFromGitHub { owner = "openmm"; repo = pname; rev = version; - hash = "sha256-89ngeZHdjyL/OoGuQ+F5eaXE1/od0EEfIgw9eKdLtL8="; + hash = "sha256-uNAqjklgBWM2v2z6qu17ZMFO4gn3fsnYPxyGO++UtTw="; }; # "This test is stochastic and may occassionally fail". It does. @@ -49,6 +49,7 @@ stdenv.mkDerivation rec { ++ lib.optional enableCuda cudaPackages.cudatoolkit; propagatedBuildInputs = lib.optionals enablePython (with python3Packages; [ + setuptools python numpy cython @@ -85,6 +86,7 @@ stdenv.mkDerivation rec { 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/. ''; postFixup = '' |