cudaPackages: overhaul of how we package cuda packages

There are many different versions of the `cudatoolkit` and related
cuda packages, and it can be tricky to ensure they remain compatible.

- `cudaPackages` is now a package set with `cudatoolkit`, `cudnn`, `cutensor`, `nccl`, as well as `cudatoolkit` split into smaller packages ("redist");
- expressions should now use `cudaPackages` as parameter instead of the individual cuda packages;
- `makeScope` is now used, so it is possible to use `.overrideScope'` to set e.g. a different `cudnn` version;
- `release-cuda.nix` is introduced to easily evaluate cuda packages using hydra.

50 files changed, 3352 insertions, 523 deletions

diff --git a/doc/languages-frameworks/cuda.section.md b/doc/languages-frameworks/cuda.section.md
new file mode 100644
index 000000000000..fccf66bf79d2
--- /dev/null
+++ b/doc/languages-frameworks/cuda.section.md
@@ -0,0 +1,34 @@
+# CUDA {#cuda}
+
+CUDA-only packages are stored in the `cudaPackages` packages set. This set
+includes the `cudatoolkit`, portions of the toolkit in separate derivations,
+`cudnn`, `cutensor` and `nccl`.
+
+A package set is available for each CUDA version, so for example
+`cudaPackages_11_6`. Within each set is a matching version of the above listed
+packages. Additionally, other versions of the packages that are packaged and
+compatible are available as well. For example, there can be a
+`cudaPackages.cudnn_8_3_2` package.
+
+To use one or more CUDA packages in an expression, give the expression a `cudaPackages` parameter, and in case CUDA is optional
+```nix
+cudaSupport ? false
+cudaPackages ? {}
+```
+
+When using `callPackage`, you can choose to pass in a different variant, e.g.
+when a different version of the toolkit suffices
+```nix
+mypkg = callPackage { cudaPackages = cudaPackages_11_5; }
+```
+
+If another version of say `cudnn` or `cutensor` is needed, you can override the
+package set to make it the default. This guarantees you get a consistent package
+set.
+```nix
+mypkg = let
+  cudaPackages = cudaPackages_11_5.overrideScope' (final: prev {
+    cudnn = prev.cudnn_8_3_2;
+  }});
+in callPackage { inherit cudaPackages; };
+```
diff --git a/doc/languages-frameworks/index.xml b/doc/languages-frameworks/index.xml
index f221693e764c..144fa96bac12 100644
--- a/doc/languages-frameworks/index.xml
+++ b/doc/languages-frameworks/index.xml
@@ -11,6 +11,7 @@
  <xi:include href="bower.section.xml" />
  <xi:include href="coq.section.xml" />
  <xi:include href="crystal.section.xml" />
+ <xi:include href="cuda.section.xml" />
  <xi:include href="dhall.section.xml" />
  <xi:include href="dotnet.section.xml" />
  <xi:include href="emscripten.section.xml" />
diff --git a/nixos/modules/services/misc/ethminer.nix b/nixos/modules/services/misc/ethminer.nix
index 253476d1a23e..223634669828 100644
--- a/nixos/modules/services/misc/ethminer.nix
+++ b/nixos/modules/services/misc/ethminer.nix
@@ -85,7 +85,7 @@ in
   config = mkIf cfg.enable {
 
     systemd.services.ethminer = {
-      path = optional (cfg.toolkit == "cuda") [ pkgs.cudatoolkit ];
+      path = optional (cfg.toolkit == "cuda") [ pkgs.cudaPackages.cudatoolkit ];
       description = "ethminer ethereum mining service";
       wantedBy = [ "multi-user.target" ];
       after = [ "network.target" ];
diff --git a/pkgs/applications/misc/blender/default.nix b/pkgs/applications/misc/blender/default.nix
index a0467b817142..2e3ff53550a9 100644
--- a/pkgs/applications/misc/blender/default.nix
+++ b/pkgs/applications/misc/blender/default.nix
@@ -5,7 +5,7 @@
 , openvdb, libXxf86vm, tbb, alembic
 , zlib, zstd, fftw, opensubdiv, freetype, jemalloc, ocl-icd, addOpenGLRunpath
 , jackaudioSupport ? false, libjack2
-, cudaSupport ? config.cudaSupport or false, cudatoolkit_11
+, cudaSupport ? config.cudaSupport or false, cudaPackages ? {}
 , colladaSupport ? true, opencollada
 , spaceNavSupport ? stdenv.isLinux, libspnav
 , makeWrapper
@@ -63,7 +63,7 @@ stdenv.mkDerivation rec {
       llvmPackages.openmp SDL Cocoa CoreGraphics ForceFeedback OpenAL OpenGL
     ])
     ++ optional jackaudioSupport libjack2
-    ++ optional cudaSupport cudatoolkit_11
+    ++ optional cudaSupport cudaPackages.cudatoolkit
     ++ optional colladaSupport opencollada
     ++ optional spaceNavSupport libspnav;
   pythonPath = with python310Packages; [ numpy requests ];
diff --git a/pkgs/applications/misc/firestarter/default.nix b/pkgs/applications/misc/firestarter/default.nix
index 92c517835d83..dca8e1256919 100644
--- a/pkgs/applications/misc/firestarter/default.nix
+++ b/pkgs/applications/misc/firestarter/default.nix
@@ -8,11 +8,13 @@
 , glibc
 , git
 , pkg-config
-, cudatoolkit
+, cudaPackages ? {}
 , withCuda ? false
 }:
 
 let
+  inherit (cudaPackages) cudatoolkit;
+
   hwloc = stdenv.mkDerivation rec {
     pname = "hwloc";
     version = "2.2.0";
diff --git a/pkgs/applications/science/math/caffe/default.nix b/pkgs/applications/science/math/caffe/default.nix
index db2e74f24523..d6c95633dd52 100644
--- a/pkgs/applications/science/math/caffe/default.nix
+++ b/pkgs/applications/science/math/caffe/default.nix
@@ -13,13 +13,17 @@
 , Accelerate, CoreGraphics, CoreVideo
 , lmdbSupport ? true, lmdb
 , leveldbSupport ? true, leveldb, snappy
-, cudaSupport ? config.cudaSupport or false, cudatoolkit
-, cudnnSupport ? cudaSupport, cudnn ? null
-, ncclSupport ? false, nccl ? null
+, cudaSupport ? config.cudaSupport or false, cudaPackages ? {}
+, cudnnSupport ? cudaSupport
+, ncclSupport ? false
 , pythonSupport ? false, python ? null, numpy ? null
 , substituteAll
 }:
 
+let
+  inherit (cudaPackages) cudatoolkit cudnn nccl;
+in
+
 assert leveldbSupport -> (leveldb != null && snappy != null);
 assert cudnnSupport -> cudaSupport;
 assert ncclSupport -> cudaSupport;
diff --git a/pkgs/applications/science/math/cntk/default.nix b/pkgs/applications/science/math/cntk/default.nix
index eb14982575a2..d39c04e8feec 100644
--- a/pkgs/applications/science/math/cntk/default.nix
+++ b/pkgs/applications/science/math/cntk/default.nix
@@ -2,10 +2,14 @@
 , fetchpatch
 , openblas, blas, lapack, opencv3, libzip, boost, protobuf, mpi
 , onebitSGDSupport ? false
-, cudaSupport ? false, addOpenGLRunpath, cudatoolkit, nvidia_x11
-, cudnnSupport ? cudaSupport, cudnn
+, cudaSupport ? false, cudaPackages ? {}, addOpenGLRunpath, cudatoolkit, nvidia_x11
+, cudnnSupport ? cudaSupport
 }:
 
+let
+  inherit (cudaPackages) cudatoolkit cudnn;
+in
+
 assert cudnnSupport -> cudaSupport;
 assert blas.implementation == "openblas" && lapack.implementation == "openblas";
 
diff --git a/pkgs/applications/science/math/mxnet/default.nix b/pkgs/applications/science/math/mxnet/default.nix
index 8e5e1ebd7e80..8353226cefed 100644
--- a/pkgs/applications/science/math/mxnet/default.nix
+++ b/pkgs/applications/science/math/mxnet/default.nix
@@ -1,10 +1,14 @@
 { config, stdenv, lib, fetchurl, fetchpatch, bash, cmake
 , opencv3, gtest, blas, gomp, llvmPackages, perl
-, cudaSupport ? config.cudaSupport or false, cudatoolkit, nvidia_x11
-, cudnnSupport ? cudaSupport, cudnn
+, cudaSupport ? config.cudaSupport or false, cudaPackages ? {}, nvidia_x11
+, cudnnSupport ? cudaSupport
 , cudaCapabilities ? [ "3.7" "5.0" "6.0" "7.0" "7.5" "8.0" "8.6" ]
 }:
 
+let
+  inherit (cudaPackages) cudatoolkit cudnn;
+in
+
 assert cudnnSupport -> cudaSupport;
 
 stdenv.mkDerivation rec {
diff --git a/pkgs/development/compilers/cudatoolkit/auto-add-opengl-runpath-hook.sh b/pkgs/development/compilers/cudatoolkit/auto-add-opengl-runpath-hook.sh
new file mode 100644
index 000000000000..0b0da336514a
--- /dev/null
+++ b/pkgs/development/compilers/cudatoolkit/auto-add-opengl-runpath-hook.sh
@@ -0,0 +1,14 @@
+# Run autoOpenGLRunpath on all files
+echo "Sourcing auto-add-opengl-runpath-hook"
+
+autoAddOpenGLRunpathPhase  () {
+    # TODO: support multiple outputs
+    for file in $(find ${out,lib,bin} -type f); do
+        addOpenGLRunpath $file
+    done
+}
+
+if [ -z "${dontUseAutoAddOpenGLRunpath-}" ]; then
+    echo "Using autoAddOpenGLRunpathPhase"
+    postFixupHooks+=(autoAddOpenGLRunpathPhase)
+fi
diff --git a/pkgs/development/compilers/cudatoolkit/common.nix b/pkgs/development/compilers/cudatoolkit/common.nix
index 46832e1cc2de..6375c513f411 100644
--- a/pkgs/development/compilers/cudatoolkit/common.nix
+++ b/pkgs/development/compilers/cudatoolkit/common.nix
@@ -254,6 +254,7 @@ stdenv.mkDerivation rec {
   '';
   passthru = {
     cc = gcc;
+    majorMinorVersion = lib.versions.majorMinor version;
     majorVersion = lib.versions.majorMinor version;
   };
 
diff --git a/pkgs/development/compilers/cudatoolkit/default.nix b/pkgs/development/compilers/cudatoolkit/default.nix
deleted file mode 100644
index d7fa6ee59f0a..000000000000
--- a/pkgs/development/compilers/cudatoolkit/default.nix
+++ /dev/null
@@ -1,94 +0,0 @@
-{ callPackage
-, fetchurl
-, gcc7
-, gcc9
-, gcc10
-, lib
-}:
-
-let
-  common = callPackage ./common.nix;
-in
-rec {
-  cudatoolkit_10_0 = common {
-    version = "10.0.130";
-    url = "https://developer.nvidia.com/compute/cuda/10.0/Prod/local_installers/cuda_10.0.130_410.48_linux";
-    sha256 = "16p3bv1lwmyqpxil8r951h385sy9asc578afrc7lssa68c71ydcj";
-
-    gcc = gcc7;
-  };
-
-  cudatoolkit_10_1 = common {
-    version = "10.1.243";
-    url = "https://developer.download.nvidia.com/compute/cuda/10.1/Prod/local_installers/cuda_10.1.243_418.87.00_linux.run";
-    sha256 = "0caxhlv2bdq863dfp6wj7nad66ml81vasq2ayf11psvq2b12vhp7";
-
-    gcc = gcc7;
-  };
-
-  cudatoolkit_10_2 = common {
-    version = "10.2.89";
-    url = "http://developer.download.nvidia.com/compute/cuda/10.2/Prod/local_installers/cuda_10.2.89_440.33.01_linux.run";
-    sha256 = "04fasl9sjkb1jvchvqgaqxprnprcz7a8r52249zp2ijarzyhf3an";
-
-    gcc = gcc7;
-  };
-
-  cudatoolkit_10 = cudatoolkit_10_2;
-
-  cudatoolkit_11_0 = common {
-    version = "11.0.3";
-    url = "https://developer.download.nvidia.com/compute/cuda/11.0.3/local_installers/cuda_11.0.3_450.51.06_linux.run";
-    sha256 = "1h4c69nfrgm09jzv8xjnjcvpq8n4gnlii17v3wzqry5d13jc8ydh";
-
-    gcc = gcc9;
-  };
-
-  cudatoolkit_11_1 = common {
-    version = "11.1.1";
-    url = "https://developer.download.nvidia.com/compute/cuda/11.1.1/local_installers/cuda_11.1.1_455.32.00_linux.run";
-    sha256 = "13yxv2fgvdnqqbwh1zb80x4xhyfkbajfkwyfpdg9493010kngbiy";
-    gcc = gcc9;
-  };
-
-  cudatoolkit_11_2 = common {
-    version = "11.2.1";
-    url = "https://developer.download.nvidia.com/compute/cuda/11.2.1/local_installers/cuda_11.2.1_460.32.03_linux.run";
-    sha256 = "sha256-HamMuJfMX1inRFpKZspPaSaGdwbLOvWKZpzc2Nw9F8g=";
-    gcc = gcc9;
-  };
-
-  cudatoolkit_11_3 = common {
-    version = "11.3.1";
-    url = "https://developer.download.nvidia.com/compute/cuda/11.3.1/local_installers/cuda_11.3.1_465.19.01_linux.run";
-    sha256 = "0d19pwcqin76scbw1s5kgj8n0z1p4v1hyfldqmamilyfxycfm4xd";
-    gcc = gcc9;
-  };
-
-  cudatoolkit_11_4 = common {
-    version = "11.4.2";
-    url = "https://developer.download.nvidia.com/compute/cuda/11.4.2/local_installers/cuda_11.4.2_470.57.02_linux.run";
-    sha256 = "sha256-u9h8oOkT+DdFSnljZ0c1E83e9VUILk2G7Zo4ZZzIHwo=";
-    gcc = gcc10; # can bump to 11 along with stdenv.cc
-  };
-
-  cudatoolkit_11_5 = common {
-    version = "11.5.0";
-    url = "https://developer.download.nvidia.com/compute/cuda/11.5.0/local_installers/cuda_11.5.0_495.29.05_linux.run";
-    sha256 = "sha256-rgoWk9lJfPPYHmlIlD43lGNpANtxyY1Y7v2sr38aHkw=";
-    gcc = gcc10; # can bump to 11 along with stdenv.cc
-  };
-
-  cudatoolkit_11_6 = common {
-    version = "11.6.1";
-    url = "https://developer.download.nvidia.com/compute/cuda/11.6.1/local_installers/cuda_11.6.1_510.47.03_linux.run";
-    sha256 = "sha256-qyGa/OALdCABEyaYZvv/derQN7z8I1UagzjCaEyYTX4=";
-    gcc = gcc10; # can bump to 11 along with stdenv.cc
-  };
-
-  # Make sure to only ever update this to a version that is compatible with the
-  # latest cudnn, nccl, cutensor, etc! It sometimes happens that CUDA versions
-  # are released prior to compatibility with the rest of the ecosystem. And
-  # don't forget to request a review from @NixOS/cuda-maintainers!
-  cudatoolkit_11 = cudatoolkit_11_5; # update me to 11_6 when cudnn>=8.3.3
-}
diff --git a/pkgs/development/compilers/cudatoolkit/extension.nix b/pkgs/development/compilers/cudatoolkit/extension.nix
new file mode 100644
index 000000000000..862c83167992
--- /dev/null
+++ b/pkgs/development/compilers/cudatoolkit/extension.nix
@@ -0,0 +1,15 @@
+final: prev: let
+  ### Cuda Toolkit
+
+  # Function to build the class cudatoolkit package
+  buildCudaToolkitPackage = final.callPackage ./common.nix;
+
+  # Version info for the classic cudatoolkit packages that contain everything that is in redist.
+  cudatoolkitVersions = final.lib.importTOML ./versions.toml;
+
+  ### Add classic cudatoolkit package
+  cudatoolkit = buildCudaToolkitPackage ((attrs: attrs // { gcc = prev.pkgs.${attrs.gcc}; }) cudatoolkitVersions.${final.cudaVersion});
+
+in {
+  inherit cudatoolkit;
+}
diff --git a/pkgs/development/compilers/cudatoolkit/redist/build-cuda-redist-package.nix b/pkgs/development/compilers/cudatoolkit/redist/build-cuda-redist-package.nix
new file mode 100644
index 000000000000..9bbd7ea1da11
--- /dev/null
+++ b/pkgs/development/compilers/cudatoolkit/redist/build-cuda-redist-package.nix
@@ -0,0 +1,51 @@
+{ lib
+, stdenv
+, fetchurl
+, autoPatchelfHook
+, autoAddOpenGLRunpathHook
+}:
+
+pname:
+attrs:
+
+let
+  arch = "linux-x86_64";
+in stdenv.mkDerivation {
+  inherit pname;
+  inherit (attrs) version;
+
+  src = assert (lib.hasAttr arch attrs); fetchurl {
+    url = "https://developer.download.nvidia.com/compute/cuda/redist/${attrs.${arch}.relative_path}";
+    inherit (attrs.${arch}) sha256;
+  };
+
+  nativeBuildInputs = [
+    autoPatchelfHook
+    # This hook will make sure libcuda can be found
+    # in typically /lib/opengl-driver by adding that
+    # directory to the rpath of all ELF binaries.
+    # Check e.g. with `patchelf --print-rpath path/to/my/binary
+    autoAddOpenGLRunpathHook
+  ];
+
+  buildInputs = [
+    stdenv.cc.cc.lib
+  ];
+
+  dontBuild = true;
+
+  # TODO: choose whether to install static/dynamic libs
+  installPhase = ''
+    runHook preInstall
+    rm LICENSE
+    mkdir -p $out
+    mv * $out
+    runHook postInstall
+  '';
+
+  meta = {
+    description = attrs.name;
+    license = lib.licenses.unfree;
+    platforms = lib.optionals (lib.hasAttr arch attrs) [ "x86_64-linux" ];
+  };
+}
diff --git a/pkgs/development/compilers/cudatoolkit/redist/extension.nix b/pkgs/development/compilers/cudatoolkit/redist/extension.nix
new file mode 100644
index 000000000000..65057b90a03c
--- /dev/null
+++ b/pkgs/development/compilers/cudatoolkit/redist/extension.nix
@@ -0,0 +1,32 @@
+final: prev: let
+
+  inherit (final) callPackage;
+  inherit (prev) cudaVersion lib pkgs;
+
+  ### Cuda Toolkit Redist
+
+  # Manifest files for redist cudatoolkit. These can be found at
+  # https://developer.download.nvidia.com/compute/cuda/redist/
+  cudaToolkitRedistManifests = {
+    "11.4" = ./manifests/redistrib_11.4.4.json;
+    "11.5" = ./manifests/redistrib_11.5.2.json;
+    "11.6" = ./manifests/redistrib_11.6.2.json;
+  };
+
+  # Function to build a single cudatoolkit redist package
+  buildCudaToolkitRedistPackage = callPackage ./build-cuda-redist-package.nix { };
+
+  # Function that builds all cudatoolkit redist packages given a cuda version and manifest file
+  buildCudaToolkitRedistPackages = { version, manifest }: let
+    attrs = lib.filterAttrs (key: value: key != "release_date") (lib.importJSON manifest);
+  in lib.mapAttrs buildCudaToolkitRedistPackage attrs;
+
+  redistExists = cudaToolkitRedistManifests ? "${cudaVersion}";
+
+  # All cudatoolkit redist packages for the current cuda version
+  cudaToolkitRedistPackages = if
+    lib.hasAttr cudaVersion cudaToolkitRedistManifests
+  then buildCudaToolkitRedistPackages { version = cudaVersion; manifest = cudaToolkitRedistManifests.${cudaVersion}; }
+  else {};
+
+in cudaToolkitRedistPackages
diff --git a/pkgs/development/compilers/cudatoolkit/redist/manifests/redistrib_11.4.4.json b/pkgs/development/compilers/cudatoolkit/redist/manifests/redistrib_11.4.4.json
new file mode 100644
index 000000000000..374079b2bcb3
--- /dev/null
+++ b/pkgs/development/compilers/cudatoolkit/redist/manifests/redistrib_11.4.4.json
@@ -0,0 +1,862 @@
+{
+    "release_date": "2022-02-01",
+    "cuda_cccl": {
+        "name": "CXX Core Compute Libraries",
+        "license": "CUDA Toolkit",
+        "version": "11.4.122",
+        "linux-x86_64": {
+            "relative_path": "cuda_cccl/linux-x86_64/cuda_cccl-linux-x86_64-11.4.122-archive.tar.xz",
+            "sha256": "150b163bde4975154d6238ae1272c74df81b303dccca1f7637bd91027b65afc5",
+            "md5": "e0e41040716a4d6113410d7cb25c7906",
+            "size": "951832"
+        },
+        "linux-ppc64le": {
+            "relative_path": "cuda_cccl/linux-ppc64le/cuda_cccl-linux-ppc64le-11.4.122-archive.tar.xz",
+            "sha256": "0d1d729ac3f52bdd04f197a6cef295b3463c4975d70dbd97f4e1b08a4857f488",
+            "md5": "f615eccb3b8d694f4c7aa864c93959d7",
+            "size": "951780"
+        },
+        "linux-sbsa": {
+            "relative_path": "cuda_cccl/linux-sbsa/cuda_cccl-linux-sbsa-11.4.122-archive.tar.xz",
+            "sha256": "98f495b99c68fae54fe728e72aa3b8e2e5b1d77c9fd4946370cec3b063a7fcf3",
+            "md5": "28692dd487b5936dbfac70ac56b65561",
+            "size": "951340"
+        },
+        "windows-x86_64": {
+            "relative_path": "cuda_cccl/windows-x86_64/cuda_cccl-windows-x86_64-11.4.122-archive.zip",
+            "sha256": "d721c4bcc5bf8054eb944b7c3203ce5f593523f798559f3f4c1effdd8ed36f48",
+            "md5": "fa6bbf1291ebdd8f63f4f5176be4ae9c",
+            "size": "2422426"
+        }
+    },
+    "cuda_cudart": {
+        "name": "CUDA Runtime (cudart)",
+        "license": "CUDA Toolkit",
+        "version": "11.4.148",
+        "linux-x86_64": {
+            "relative_path": "cuda_cudart/linux-x86_64/cuda_cudart-linux-x86_64-11.4.148-archive.tar.xz",
+            "sha256": "36bd6f1ea8711f69405ebd0b26d1f791a6ef6eb01cc3f01ba4231eb8ec09c208",
+            "md5": "b98036aa5e633eb19b7ef2e32e8811a7",
+            "size": "828732"
+        },
+        "linux-ppc64le": {
+            "relative_path": "cuda_cudart/linux-ppc64le/cuda_cudart-linux-ppc64le-11.4.148-archive.tar.xz",
+            "sha256": "fb70c6477dce2cfc3ee13d361b76453ad92671be36f98fab50e2510f657eb00e",
+            "md5": "594855b91ad5e9aa674d3a93d741431e",
+            "size": "777952"
+        },
+        "linux-sbsa": {
+            "relative_path": "cuda_cudart/linux-sbsa/cuda_cudart-linux-sbsa-11.4.148-archive.tar.xz",
+            "sha256": "d013448f76c22614e458de94b5289807d2d0934b3a5deb073b621401a222c16f",
+            "md5": "2bcac7ef368ebeb804e33c4c7920ff78",
+            "size": "783344"
+        },
+        "windows-x86_64": {
+            "relative_path": "cuda_cudart/windows-x86_64/cuda_cudart-windows-x86_64-11.4.148-archive.zip",
+            "sha256": "e889e38929a95845409ed7dcdb0e6189343af5d17442a3b8c9f2ba297f0d262e",
+            "md5": "c2fcccb16eec0cf4ed5807fcba2bd745",
+            "size": "2898471"
+        }
+    },
+    "cuda_cuobjdump": {
+        "name": "cuobjdump",
+        "license": "CUDA Toolkit",
+        "version": "11.4.120",
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