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authorAlyssa Ross <hi@alyssa.is>2023-12-15 19:32:38 +0100
committerAlyssa Ross <hi@alyssa.is>2023-12-15 19:32:38 +0100
commit6b8e2555ef013b579cda57025b17d662e0f1fe1f (patch)
tree5a83c673af26c9976acd5a5dfa20e09e06898047 /nixpkgs/pkgs/development/libraries/science/chemistry
parent66ca7a150b5c051f0728f13134e6265cc46f370c (diff)
parent02357adddd0889782362d999628de9d309d202dc (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.nix6
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 = ''