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authorAlyssa Ross <hi@alyssa.is>2023-08-08 16:04:42 +0000
committerAlyssa Ross <hi@alyssa.is>2023-08-13 06:35:37 +0000
commit12aaa58dac35800b5b7d77f81cf2a87c21ee55da (patch)
treebe0add9e5c22a85d20b5d78206aa74f956eb2a1b /nixpkgs/pkgs/development/libraries/science/chemistry
parent45892a5591202f75a1c2f1ca7c62a92c7566e3c5 (diff)
parent5a8e9243812ba528000995b294292d3b5e120947 (diff)
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Merge branch 'nixos-unstable' of https://github.com/NixOS/nixpkgs
Conflicts:
	nixpkgs/pkgs/applications/window-managers/sway/default.nix
	nixpkgs/pkgs/build-support/go/module.nix
	nixpkgs/pkgs/build-support/rust/build-rust-package/default.nix
	nixpkgs/pkgs/development/libraries/mesa/default.nix
	nixpkgs/pkgs/servers/dict/dictd-db.nix

Link: https://gitlab.freedesktop.org/xkeyboard-config/xkeyboard-config/-/issues/391
Diffstat (limited to 'nixpkgs/pkgs/development/libraries/science/chemistry')
-rw-r--r--nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix3
-rw-r--r--nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix4
2 files changed, 4 insertions, 3 deletions
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix
index 2ad84249758a..a7c388339de0 100644
--- a/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix
@@ -11,7 +11,8 @@
 , enableOpencl ? true
 , opencl-headers
 , ocl-icd
-, enableCuda ? false
+, config
+, enableCuda ? config.cudaSupport
 , cudaPackages
 , addOpenGLRunpath
 }:
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix
index 57139f8bcd00..1f5e4b250a91 100644
--- a/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix
@@ -13,13 +13,13 @@ assert !blas.isILP64;
 
 stdenv.mkDerivation rec {
   pname = "simple-dftd3";
-  version = "0.7.0";
+  version = "1.0.0";
 
   src = fetchFromGitHub {
     owner = "dftd3";
     repo = pname;
     rev = "v${version}";
-    hash = "sha256-5OvmMgjD8ujjKHkuw4NT8hEXKh5YPxuBl/Mu6g2/KIA=";
+    hash = "sha256-dfXiKKCGJ69aExSKpVC3Bp//COy256R9PDyxCNmDsfo=";
   };
 
   nativeBuildInputs = [ cmake gfortran ];