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author | Alyssa Ross <hi@alyssa.is> | 2023-12-15 19:32:38 +0100 |
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committer | Alyssa Ross <hi@alyssa.is> | 2023-12-15 19:32:38 +0100 |
commit | 6b8e2555ef013b579cda57025b17d662e0f1fe1f (patch) | |
tree | 5a83c673af26c9976acd5a5dfa20e09e06898047 /nixpkgs/pkgs/development/libraries/science/chemistry | |
parent | 66ca7a150b5c051f0728f13134e6265cc46f370c (diff) | |
parent | 02357adddd0889782362d999628de9d309d202dc (diff) | |
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Merge branch 'nixos-unstable-small' of https://github.com/NixOS/nixpkgs
Diffstat (limited to 'nixpkgs/pkgs/development/libraries/science/chemistry')
-rw-r--r-- | nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix | 6 |
1 files changed, 4 insertions, 2 deletions
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix index 349c3be82b96..94a88bbf819a 100644 --- a/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix +++ b/nixpkgs/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 = '' |