MEGA MERGE

New apt list does not have Package: as the first entry for all packages

flake.lock

@@ -2,11 +2,11 @@
   "nodes": {
     "nixpkgs": {
       "locked": {
-        "lastModified": 1767634882,
-        "narHash": "sha256-2GffSfQxe3sedHzK+sTKlYo/NTIAGzbFCIsNMUPAAnk=",
+        "lastModified": 1764522689,
+        "narHash": "sha256-SqUuBFjhl/kpDiVaKLQBoD8TLD+/cTUzzgVFoaHrkqY=",
         "owner": "NixOS",
         "repo": "nixpkgs",
-        "rev": "3c9db02515ef1d9b6b709fc60ba9a540957f661c",
+        "rev": "8bb5646e0bed5dbd3ab08c7a7cc15b75ab4e1d0f",
         "type": "github"
       },
       "original": {

m/apex/configuration.nix

@@ -57,18 +57,6 @@
     };
   };
 
-  services.fail2ban = {
-    enable = true;
-    maxretry = 5;
-    bantime-increment = {
-      enable = true; # Double ban time on each attack
-      maxtime = "7d"; # Ban up to a week
-    };
-  };
-
-  # Disable SSH login with password, allow only keypair
-  services.openssh.settings.PasswordAuthentication = false;
-
   networking.firewall = {
     extraCommands = ''
       # Blackhole BSC vulnerability scanner (OpenVAS) as it is spamming our

m/bay/configuration.nix

@@ -24,7 +24,7 @@
       address = "10.0.40.40";
       prefixLength = 24;
     } ];
-    interfaces.ibs785.ipv4.addresses = [ {
+    interfaces.ibp5s0.ipv4.addresses = [ {
       address = "10.0.42.40";
       prefixLength = 24;
     } ];

m/common/base.nix

@@ -7,6 +7,7 @@
     ./base/august-shutdown.nix
     ./base/boot.nix
     ./base/env.nix
+    ./base/fish.nix
     ./base/fs.nix
     ./base/hw.nix
     ./base/net.nix

m/common/base/env.nix

@@ -5,6 +5,8 @@
     vim wget git htop tmux pciutils tcpdump ripgrep nix-index nixos-option
     nix-diff ipmitool freeipmi ethtool lm_sensors cmake gnumake file tree
     ncdu perf ldns pv
+    nix-output-monitor
+    nixfmt-tree
     # From jungle overlay
     osumb nixgen
   ];
@@ -28,9 +30,22 @@
     VISUAL = "vim";
   };
 
-  programs.bash.promptInit = ''
-    PS1="\h\\$ "
-  '';
+  programs.bash.promptInit = # bash
+    ''
+      if echo "$PATH" | grep -qc '/nix/store'; then
+        # Inside a nix shell, dumb prompt
+        PS1="\h\\$ "
+      elif [ "$TERM" != "dumb" ] ; then
+        PROMPT_COLOR="1;31m"
+        ((UID)) && PROMPT_COLOR="1;32m"
+
+        PS1="\n\[\033[$PROMPT_COLOR\][\[\e]0;\u@\h: \w\a\]\u@\h:\w]\\$\[\033[0m\] "
+
+        if test "$TERM" = "xterm"; then
+          PS1="\[\033]2;\h:\u:\w\007\]$PS1"
+        fi
+      fi
+    '';
 
   time.timeZone = "Europe/Madrid";
   i18n.defaultLocale = "en_DK.UTF-8";

m/common/base/fish.nix

@@ -0,0 +1,3 @@
+{
+  programs.fish.enable = true;
+}

m/common/base/users.nix

@@ -87,6 +87,13 @@
         openssh.authorizedKeys.keys = [
           "ssh-ed25519 AAAAC3NzaC1lZDI1NTE5AAAAIIIFiqXqt88VuUfyANkZyLJNiuroIITaGlOOTMhVDKjf abonerib@bsc"
         ];
+        shell = pkgs.fish;
+        packages = with pkgs; [
+          fzf
+          jujutsu
+          neovim
+          starship
+        ];
       };
 
       vlopez = {
@@ -139,7 +146,6 @@
         openssh.authorizedKeys.keys = [
           "ssh-ed25519 AAAAC3NzaC1lZDI1NTE5AAAAIKGt0ESYxekBiHJQowmKpfdouw0hVm3N7tUMtAaeLejK vincent@varch"
         ];
-        shell = pkgs.zsh;
       };
 
       pmartin1 = {

m/eudy/kernel/perf.nix

@@ -1,6 +1,11 @@
-{ pkgs, lib, ... }:
+{ config, pkgs, lib, ... }:
 
 {
+  # add the perf tool
+  environment.systemPackages = with pkgs; [
+    config.boot.kernelPackages.perf
+  ];
+
   # allow non-root users to read tracing data from the kernel
   boot.kernel.sysctl."kernel.perf_event_paranoid" = -2;
   boot.kernel.sysctl."kernel.kptr_restrict" = 0;

m/hut/configuration.nix

@@ -45,7 +45,7 @@
       address = "10.0.40.7";
       prefixLength = 24;
     } ];
-    interfaces.ibs785.ipv4.addresses = [ {
+    interfaces.ibp5s0.ipv4.addresses = [ {
       address = "10.0.42.7";
       prefixLength = 24;
     } ];

m/lake2/configuration.nix

@@ -46,7 +46,7 @@
       address = "10.0.40.42";
       prefixLength = 24;
     } ];
-    interfaces.ibs785.ipv4.addresses = [ {
+    interfaces.ibp5s0.ipv4.addresses = [ {
       address = "10.0.42.42";
       prefixLength = 24;
     } ];

m/owl1/configuration.nix

@@ -20,7 +20,7 @@
       address = "10.0.40.1";
       prefixLength = 24;
     } ];
-    interfaces.ibs785.ipv4.addresses = [ {
+    interfaces.ibp5s0.ipv4.addresses = [ {
       address = "10.0.42.1";
       prefixLength = 24;
     } ];

m/owl2/configuration.nix

@@ -21,7 +21,7 @@
       prefixLength = 24;
     } ];
     # Watch out! The OmniPath device is not in the same place here:
-    interfaces.ibs801.ipv4.addresses = [ {
+    interfaces.ibp129s0.ipv4.addresses = [ {
       address = "10.0.42.2";
       prefixLength = 24;
     } ];

m/tent/gitea.nix

@@ -27,7 +27,4 @@
       };
     };
   };
-
-  # Allow gitea user to send mail
-  users.users.gitea.extraGroups = [ "mail-robot" ];
 }

m/weasel/configuration.nix

@@ -1,9 +1,10 @@
-{ lib, ... }:
+{ lib, pkgs, ... }:
 
 {
   imports = [
     ../common/ssf.nix
     ../module/hut-substituter.nix
+    ./hydra.nix
   ];
 
   # Select this using the ID to avoid mismatches
@@ -30,4 +31,22 @@
       prefixLength = 24;
     } ];
   };
+
+  services.nix-serve = {
+    enable = true;
+    bindAddress = "0.0.0.0";
+    port = 5000;
+    package = pkgs.haskell.lib.overrideSrc (pkgs.haskell.packages.ghc96.nix-serve-ng.override { nix = pkgs.nixVersions.nix_2_28; }) {
+      src = pkgs.fetchgit {
+        url = "https://jungle.bsc.es/git/abonerib/nix-serve-ng.git";
+        rev = "9c056641300a826db66b66d7e584b2541d38927a";
+        hash = "sha256-y69ZchFiZOU71eyeljcQgLxkLk5JUzZfanq8Yzw4MkI=";
+      };
+      version = "unstable";
+    };
+
+    secretKeyFile = "/var/cache-priv-key.pem";
+    # Public key:
+    # 10.0.40.6:8jBhIdXEBap+Qo+vc1/fnV9vj43A2oDk839EEheRr/U=
+  };
 }

m/weasel/hydra.nix

@@ -0,0 +1,57 @@
+{
+  config,
+  pkgs,
+  lib,
+  ...
+}:
+{
+  services.hydra = {
+    enable = true;
+
+    # Wrap hydra so it puts quiet flag every time... This is dumb and annoying,
+    # but i can't override the systemd ExecStart without running into infinite
+    # recursion.
+    package = pkgs.symlinkJoin {
+      name = "hydra-quiet";
+      paths = [ pkgs.hydra ];
+      postBuild = ''
+        for prog in hydra-queue-runner hydra-evaluator ; do
+          prev=$(realpath $out/bin/$prog)
+          rm $out/bin/$prog
+          cat >$out/bin/$prog <<EOF
+        #!/bin/sh
+        args=()
+        for arg in "\$@"; do
+          if [ "\$arg" != "-v" ]; then
+            args+=("\$arg")
+          fi
+        done
+        exec $prev --quiet "\''${args[@]}"
+        EOF
+
+          chmod +x $out/bin/$prog
+        done
+      '';
+    };
+
+    hydraURL = "http://localhost:3001"; # externally visible URL
+    notificationSender = "hydra@jungle.bsc.es"; # e-mail of Hydra service
+    port = 3001;
+    # a standalone Hydra will require you to unset the buildMachinesFiles list to avoid using a nonexistant /etc/nix/machines
+    buildMachinesFiles = [ ];
+    # you will probably also want, otherwise *everything* will be built from scratch
+    useSubstitutes = true;
+    listenHost = "0.0.0.0"; # Force IPv4
+  };
+
+  systemd.services.hydra-send-stats.enable = lib.mkForce false;
+
+  networking.firewall.allowedTCPPorts = [ config.services.hydra.port ];
+
+  nix.settings.extra-allowed-uris = [
+    "git+ssh://git@bscpm04.bsc.es"
+    "git+ssh://git@gitlab-internal.bsc.es"
+    "https://github.com"
+    "git+ssh://github.com"
+  ];
+}

overlay.nix

@@ -9,17 +9,25 @@ let
   bscPkgs = {
     agenix = prev.callPackage ./pkgs/agenix/default.nix { };
     amd-uprof = prev.callPackage ./pkgs/amd-uprof/default.nix { };
+    aoccUnwrapped = callPackage ./pkgs/aocc/unwrapped.nix { };
+    aocc = callPackage ./pkgs/aocc/default.nix { };
+    stdenvAocc = final.overrideCC final.stdenv final.aocc;
     bench6 = callPackage ./pkgs/bench6/default.nix { };
     bigotes = callPackage ./pkgs/bigotes/default.nix { };
     clangOmpss2 = callPackage ./pkgs/llvm-ompss2/default.nix { };
-    clangOmpss2Nanos6 = callPackage ./pkgs/llvm-ompss2/default.nix { useNanos6 = true; };
-    clangOmpss2Nodes = callPackage ./pkgs/llvm-ompss2/default.nix { useNodes = true; useOpenmp = true; };
-    clangOmpss2NodesOmpv = callPackage ./pkgs/llvm-ompss2/default.nix { useNodes = true; useOpenmpV = true; };
+    clangOmpss2Nanos6 = callPackage ./pkgs/llvm-ompss2/default.nix { ompss2rt = final.nanos6; };
+    clangOmpss2Nodes = callPackage ./pkgs/llvm-ompss2/default.nix { ompss2rt = final.nodes; openmp = final.openmp; };
+    clangOmpss2NodesOmpv = callPackage ./pkgs/llvm-ompss2/default.nix { ompss2rt = final.nodes; openmp = final.openmpv; };
     clangOmpss2Unwrapped = callPackage ./pkgs/llvm-ompss2/clang.nix { };
     cudainfo = prev.callPackage ./pkgs/cudainfo/default.nix { };
     #extrae = callPackage ./pkgs/extrae/default.nix { }; # Broken and outdated
     gpi-2 = callPackage ./pkgs/gpi-2/default.nix { };
+    gromacs = callPackage ./pkgs/gromacs/default.nix { enableSYCL = true; };
+    intel-apt = callPackage ./pkgs/intel-oneapi/packages.nix { };
     intelPackages_2023 = callPackage ./pkgs/intel-oneapi/2023.nix { };
+    intelPackages_2024 = final.intel-apt.hpckit_2024;
+    intelPackages_2025 = final.intel-apt.hpckit_2025;
+    intelPackages = final.intelPackages_2025;
     jemallocNanos6 = callPackage ./pkgs/nanos6/jemalloc.nix { };
     # FIXME: Extend this to all linuxPackages variants. Open problem, see:
     # https://discourse.nixos.org/t/whats-the-right-way-to-make-a-custom-kernel-module-available/4636
@@ -29,6 +37,7 @@ let
     linuxPackages_latest = prev.linuxPackages_latest.extend(_final: _prev: {
       amd-uprof-driver = _prev.callPackage ./pkgs/amd-uprof/driver.nix { };
     });
+    llvm-intel = callPackage ./pkgs/llvm-intel/default.nix { };
     lmbench = callPackage ./pkgs/lmbench/default.nix { };
     # Broken and unmantained
     # mcxx = callPackage ./pkgs/mcxx/default.nix { };
@@ -44,6 +53,7 @@ let
     #nix-wrap = callPackage ./pkgs/nix-wrap/default.nix { };
     nodes = callPackage ./pkgs/nodes/default.nix { };
     nosv = callPackage ./pkgs/nosv/default.nix { };
+    oneMath = callPackage ./pkgs/onemath/default.nix { };
     openmp = callPackage ./pkgs/llvm-ompss2/openmp.nix { monorepoSrc = final.clangOmpss2Unwrapped.src; version = final.clangOmpss2Unwrapped.version; };
     openmpv = final.openmp.override { enableNosv = true; enableOvni = true; };
     osumb = callPackage ./pkgs/osu/default.nix { };
@@ -51,19 +61,40 @@ let
     ovniGit = final.ovni.override { useGit = true; };
     papi = callPackage ./pkgs/papi/default.nix { papi = prev.papi; };
     paraverKernel = callPackage ./pkgs/paraver/kernel.nix { };
+    pertalde = callPackage ./pkgs/pertalde/default.nix { };
+    pocl = callPackage ./pkgs/pocl/default.nix { };
+    pocl-unpublished = callPackage ./pkgs/pocl/default.nix {
+      gitUrl = "git@github.com:pocl/unpublished.git";
+      gitBranch = "loopvec-next";
+      gitCommit = "74f7e2b5644b1c5598205c8cac1914bb4c5dadec";
+      enableNOSV = false;
+      enableOVNI = false;
+    };
+    pocl-noicd = callPackage ./pkgs/pocl/default.nix { enableICD = false; };
     prometheus-slurm-exporter = prev.callPackage ./pkgs/slurm-exporter/default.nix { };
     #pscom = callPackage ./pkgs/parastation/pscom.nix { }; # Unmaintaned
     #psmpi = callPackage ./pkgs/parastation/psmpi.nix { }; # Unmaintaned
+    rodinia = callPackage ./pkgs/rodinia/default.nix { };
     slurm = import ./pkgs/slurm/default.nix { slurm = prev.slurm; };
     sonar = callPackage ./pkgs/sonar/default.nix { };
-    stdenvClangOmpss2 = final.stdenv.override { cc = final.buildPackages.clangOmpss2; allowedRequisites = null; };
-    stdenvClangOmpss2Nanos6 = final.stdenv.override { cc = final.buildPackages.clangOmpss2Nanos6; allowedRequisites = null; };
-    stdenvClangOmpss2Nodes = final.stdenv.override { cc = final.buildPackages.clangOmpss2Nodes; allowedRequisites = null; };
-    stdenvClangOmpss2NodesOmpv = final.stdenv.override { cc = final.buildPackages.clangOmpss2NodesOmpv; allowedRequisites = null; };
+    stdenvClangOmpss2 = final.stdenv.override { cc = final.clangOmpss2; allowedRequisites = null; };
+    stdenvClangOmpss2Nanos6 = final.stdenv.override { cc = final.clangOmpss2Nanos6; allowedRequisites = null; };
+    stdenvClangOmpss2Nodes = final.stdenv.override { cc = final.clangOmpss2Nodes; allowedRequisites = null; };
+    stdenvClangOmpss2NodesOmpv = final.stdenv.override { cc = final.clangOmpss2NodesOmpv; allowedRequisites = null; };
     tagaspi = callPackage ./pkgs/tagaspi/default.nix { };
     tampi = callPackage ./pkgs/tampi/default.nix { };
+    tasycl = callPackage ./pkgs/tasycl/default.nix { };
+    tasycl-acpp = callPackage ./pkgs/tasycl/default.nix { useIntel = false; };
+    unified-runtime = callPackage ./pkgs/unified-runtime/default.nix { };
     upc-qaire-exporter = prev.callPackage ./pkgs/upc-qaire-exporter/default.nix { };
+    taopencl = callPackage ./pkgs/taopencl/default.nix { };
     wxparaver = callPackage ./pkgs/paraver/default.nix { };
+
+    _cuda = prev._cuda.extend (_: _prev: final.lib.recursiveUpdate _prev {
+      extensions = _prev.extensions ++ [(finalAttrs: _: {
+        tacuda = finalAttrs.callPackage ./pkgs/tacuda/default.nix { };
+      })];
+    });
   };
 
   tests = rec {
@@ -71,6 +102,13 @@ let
     #sigsegv = callPackage ./test/reproducers/sigsegv.nix { };
     hello-c = callPackage ./test/compilers/hello-c.nix { };
     hello-cpp = callPackage ./test/compilers/hello-cpp.nix { };
+    hello-sycl = callPackage ./test/compilers/hello-sycl.nix { };
+    hello-syclompss = callPackage ./test/compilers/icpx-ompss2.nix { };
+    hello-sycl-pocl = (callPackage ./test/compilers/hello-sycl.nix { }).withPocl;
+    hello-sycl-intel = (callPackage ./test/compilers/hello-sycl.nix { }).withIntel;
+    hello-syclompss-pocl = (callPackage ./test/compilers/icpx-ompss2.nix { }).withPocl;
+    hello-syclompss-intel = (callPackage ./test/compilers/icpx-ompss2.nix { }).withIntel;
+
     lto = callPackage ./test/compilers/lto.nix { };
     asan = callPackage ./test/compilers/asan.nix { };
     intel2023-icx-c   = hello-c.override   { stdenv = final.intelPackages_2023.stdenv; };
@@ -80,6 +118,13 @@ let
     intel2023-ifort   = callPackage ./test/compilers/hello-f.nix {
       stdenv = final.intelPackages_2023.stdenv-ifort;
     };
+    intel2024-icx-c   = hello-c.override   { stdenv = final.intelPackages_2024.stdenv; };
+    intel2025-icx-c   = hello-c.override   { stdenv = final.intelPackages_2025.stdenv; };
+    intel2024-icx-cpp = hello-cpp.override { stdenv = final.intelPackages_2024.stdenv; };
+    intel2025-icx-cpp = hello-cpp.override { stdenv = final.intelPackages_2025.stdenv; };
+    # intel2023-sycl    = hello-sycl.override { intelPackages = final.intelPackages_2023; }; # broken
+    intel2024-sycl    = hello-sycl.override { intelPackages = final.intelPackages_2024; };
+    intel2025-sycl    = hello-sycl.override { intelPackages = final.intelPackages_2025; };
     clangOmpss2-lto   = lto.override       { stdenv = final.stdenvClangOmpss2Nanos6; };
     clangOmpss2-asan  = asan.override      { stdenv = final.stdenvClangOmpss2Nanos6; };
     clangOmpss2-task  = callPackage ./test/compilers/ompss2.nix {
@@ -97,6 +142,15 @@ let
     clangNosvOmpv-ld = callPackage ./test/compilers/clang-openmp-ld.nix {
       stdenv = final.stdenvClangOmpss2NodesOmpv;
     };
+
+    ocl-build = callPackage ./test/compilers/opencl.nix { };
+    ocl-build-noicd = callPackage ./test/compilers/opencl.nix { ocl-icd = final.pocl-noicd; };
+
+    pocl = callPackage ./test/compilers/pocl.nix { };
+    ocl-run-pocl = ocl-build.test-icd;
+    ocl-run-pocl-noicd = ocl-build-noicd.test-noicd;
+
+    sycl-ls = callPackage ./test/compilers/sycl-ls.nix { };
   };
 
   # For now, only build toplevel packages in CI/Hydra

pkgs/aocc/default.nix

@@ -0,0 +1,17 @@
+{
+  wrapCCWith,
+  aoccUnwrapped,
+}:
+
+let
+  cc = aoccUnwrapped;
+in
+wrapCCWith {
+  inherit cc;
+  nixSupport.cc-cflags = [ "-isystem ${cc}/include" ];
+
+  extraBuildCommands = ''
+    wrap aocc   $wrapper $ccPath/clang
+    wrap aocc++ $wrapper $ccPath/clang++
+  '';
+}

pkgs/aocc/unwrapped.nix

@@ -0,0 +1,52 @@
+{
+  lib,
+  fetchurl,
+  stdenv,
+  autoPatchelfHook,
+  rocmPackages,
+  zlib,
+  libffi,
+  elfutils,
+}:
+
+let
+  # in newer nixpkgs the runtime is hsakmt
+  rocmRuntime = if rocmPackages ? hsakmt then rocmPackages.hsakmt else rocmPackages.rocm-runtime;
+in
+stdenv.mkDerivation {
+  pname = "aocc-compiler";
+  version = "5.0.0";
+
+  src = fetchurl {
+    url = "https://download.amd.com/developer/eula/aocc/aocc-5-0/aocc-compiler-5.0.0.tar";
+    sha256 = "sha256-lm+sLSx1np3m6WnBCtp6ezBsET9/HgfqN2gp7IY4Dao=";
+  };
+
+  nativeBuildInputs = [ autoPatchelfHook ];
+  buildInputs = [
+    elfutils
+    zlib
+    rocmRuntime
+    stdenv.cc.cc.lib
+  ];
+  phases = [
+    "unpackPhase"
+    "installPhase"
+    "fixupPhase"
+  ];
+  dontStrip = true;
+
+  installPhase = ''
+    mkdir -p $out
+    cp -a . $out/
+
+    ln -s ${lib.getLib libffi}/lib/libffi.so $out/lib/libffi.so.6
+  '';
+
+  passthru = {
+    inherit rocmRuntime;
+    isClang = true; # Needed for wrapCCWith
+  };
+
+  meta.mainProgram = "clang";
+}

pkgs/gromacs/default.nix

@@ -0,0 +1,190 @@
+{
+  lib,
+  stdenv,
+  fetchurl,
+  cmake,
+  hwloc,
+  fftw,
+  perl,
+  blas,
+  lapack,
+  llvmPackages,
+  intelPackages ? null,
+  mpi,
+  cudaPackages,
+  plumed,
+  singlePrec ? true,
+  config,
+  enableSYCL ? false,
+  enableCuda ? config.cudaSupport,
+  enableMpi ? false,
+  enablePlumed ? false,
+  cpuAcceleration ? null,
+}:
+
+# CUDA is only implemented for single precission
+assert enableCuda -> singlePrec;
+
+assert !(enableSYCL && enableCuda);
+
+assert enableSYCL -> intelPackages != null;
+
+let
+  inherit (cudaPackages.flags) cmakeCudaArchitecturesString;
+
+  # Select reasonable defaults for all major platforms
+  # The possible values are defined in CMakeLists.txt:
+  # AUTO None SSE2 SSE4.1 AVX_128_FMA AVX_256 AVX2_256
+  # AVX2_128 AVX_512 AVX_512_KNL MIC ARM_NEON ARM_NEON_ASIMD
+  SIMD =
+    x:
+    if (cpuAcceleration != null) then
+      x
+    else if stdenv.hostPlatform.system == "i686-linux" then
+      "SSE2"
+    else if stdenv.hostPlatform.system == "x86_64-linux" then
+      "SSE4.1"
+    else if stdenv.hostPlatform.system == "x86_64-darwin" then
+      "SSE4.1"
+    else if stdenv.hostPlatform.system == "aarch64-linux" then
+      "ARM_NEON_ASIMD"
+    else
+      "None";
+
+  source =
+    if enablePlumed then
+      {
+        version = "2024.2";
+        hash = "sha256-gCp+M18uiVdw9XsVnk7DaOuw/yzm2sz3BsboAlw2hSs=";
+      }
+    else
+      {
+        version = "2025.3";
+        hash = "sha256-i9/KAmjz8Qp8o8BuWbYvc+oCQgxnIRwP85EvMteDPGU=";
+      };
+
+  stdenv' = if enableSYCL then intelPackages.stdenv else stdenv;
+
+in
+stdenv'.mkDerivation rec {
+  pname = "gromacs";
+  version = source.version;
+
+  src = fetchurl {
+    url = "ftp://ftp.gromacs.org/pub/gromacs/gromacs-${version}.tar.gz";
+    inherit (source) hash;
+  };
+
+  patches = [ (if enablePlumed then ./pkgconfig-2024.patch else ./pkgconfig-2025.patch) ];
+
+  postPatch = lib.optionalString enablePlumed ''
+    plumed patch -p -e gromacs-${source.version}
+  '';
+
+  outputs = [
+    "out"
+    "dev"
+    "man"
+  ];
+
+  nativeBuildInputs = [
+    cmake
+  ]
+  ++ lib.optional enablePlumed plumed
+  ++ lib.optionals enableCuda [ cudaPackages.cuda_nvcc ];
+
+  env.MKLROOT = intelPackages.mkl;
+
+  buildInputs = [
+    fftw
+    perl
+    hwloc
+    blas
+    lapack
+  ]
+  ++ lib.optional enableMpi mpi
+  ++ lib.optionals enableCuda [
+    cudaPackages.cuda_cccl
+    cudaPackages.cuda_cudart
+    cudaPackages.libcufft
+    cudaPackages.cuda_profiler_api
+  ]
+  ++ lib.optional stdenv.hostPlatform.isDarwin llvmPackages.openmp;
+
+  propagatedBuildInputs = lib.optional enableMpi mpi;
+  propagatedUserEnvPkgs = lib.optional enableMpi mpi;
+
+  cmakeFlags = [
+    (lib.cmakeBool "GMX_HWLOC" true)
+    "-DGMX_SIMD:STRING=${SIMD cpuAcceleration}"
+    "-DGMX_OPENMP:BOOL=TRUE"
+    "-DBUILD_SHARED_LIBS=ON"
+  ]
+  ++ (
+    if singlePrec then
+      [
+        "-DGMX_DOUBLE=OFF"
+      ]
+    else
+      [
+        "-DGMX_DOUBLE=ON"
+        "-DGMX_DEFAULT_SUFFIX=OFF"
+      ]
+  )
+  ++ (
+    if enableMpi then
+      [
+        "-DGMX_MPI:BOOL=TRUE"
+        "-DGMX_THREAD_MPI:BOOL=FALSE"
+      ]
+    else
+      [
+        "-DGMX_MPI:BOOL=FALSE"
+      ]
+  )
+  ++ (lib.optionals enableSYCL [
+    "-DGMX_GPU=SYCL"
+    "-DGMX_OPENMP=OFF" # TODO: enable OpenMP with SYCL?
+  ])
+  ++ lib.optionals enableCuda [
+    "-DGMX_GPU=CUDA"
+    (lib.cmakeFeature "CMAKE_CUDA_ARCHITECTURES" cmakeCudaArchitecturesString)
+
+    # Gromacs seems to ignore and override the normal variables, so we add this ad hoc:
+    (lib.cmakeFeature "GMX_CUDA_TARGET_COMPUTE" cmakeCudaArchitecturesString)
+  ];
+
+  postInstall = ''
+    moveToOutput share/cmake $dev
+  '';
+
+  meta = with lib; {
+    homepage = "https://www.gromacs.org";
+    license = licenses.lgpl21Plus;
+    description = "Molecular dynamics software package";
+    longDescription = ''
+      GROMACS is a versatile package to perform molecular dynamics,
+      i.e. simulate the Newtonian equations of motion for systems
+      with hundreds to millions of particles.
+
+      It is primarily designed for biochemical molecules like
+      proteins, lipids and nucleic acids that have a lot of
+      complicated bonded interactions, but since GROMACS is
+      extremely fast at calculating the nonbonded interactions (that
+      usually dominate simulations) many groups are also using it
+      for research on non-biological systems, e.g. polymers.
+
+      GROMACS supports all the usual algorithms you expect from a
+      modern molecular dynamics implementation, (check the online
+      reference or manual for details), but there are also quite a
+      few features that make it stand out from the competition.
+
+      See: https://www.gromacs.org/about.html for details.
+    '';
+    platforms = platforms.unix;
+    maintainers = with maintainers; [
+      sheepforce
+      markuskowa
+    ];
+  };
+}

pkgs/gromacs/pkgconfig-2024.patch

@@ -0,0 +1,24 @@
+diff --git a/src/external/muparser/muparser.pc.in b/src/external/muparser/muparser.pc.in
+index 646787cb53..9b97ad57f7 100644
+--- a/src/external/muparser/muparser.pc.in
++++ b/src/external/muparser/muparser.pc.in
+@@ -1,7 +1,5 @@
+-prefix=@CMAKE_INSTALL_PREFIX@
+-exec_prefix=${prefix}
+-libdir=${prefix}/@CMAKE_INSTALL_LIBDIR@
+-includedir=${prefix}/@CMAKE_INSTALL_INCLUDEDIR@
++libdir=@CMAKE_INSTALL_FULL_LIBDIR@
++includedir=@CMAKE_INSTALL_FULL_INCLUDEDIR@
+ 
+ Name: @PACKAGE_NAME@
+ Description: Mathematical expressions parser library
+diff --git a/src/gromacs/libgromacs.pc.cmakein b/src/gromacs/libgromacs.pc.cmakein
+index ec1ed6684e..ca1105474a 100644
+--- a/src/gromacs/libgromacs.pc.cmakein
++++ b/src/gromacs/libgromacs.pc.cmakein
+@@ -1,4 +1,4 @@
+-libdir=@CMAKE_INSTALL_PREFIX@/@CMAKE_INSTALL_LIBDIR@
++libdir=@CMAKE_INSTALL_FULL_LIBDIR@
+ 
+ Name: libgromacs@GMX_LIBS_SUFFIX@
+ Description: Gromacs library

pkgs/gromacs/pkgconfig-2025.patch

@@ -0,0 +1,36 @@
+diff --git a/src/external/muparser/muparser.pc.in b/src/external/muparser/muparser.pc.in
+index 646787cb53..d26e84de8f 100644
+--- a/src/external/muparser/muparser.pc.in
++++ b/src/external/muparser/muparser.pc.in
+@@ -1,11 +1,9 @@
+-prefix=@CMAKE_INSTALL_PREFIX@
+-exec_prefix=${prefix}
+-libdir=${prefix}/@CMAKE_INSTALL_LIBDIR@
+-includedir=${prefix}/@CMAKE_INSTALL_INCLUDEDIR@
+-
+-Name: @PACKAGE_NAME@
+-Description: Mathematical expressions parser library
+-Version: @MUPARSER_VERSION@
+-Requires:
+-Libs: -L${libdir} -lmuparser
+-Cflags: -I${includedir} @PKG_CONFIG_FLAGS@
++libdir=@CMAKE_INSTALL_FULL_LIBDIR@
++includedir=@CMAKE_INSTALL_FULL_INCLUDEDIR@
++
++Name: @PACKAGE_NAME@
++Description: Mathematical expressions parser library
++Version: @MUPARSER_VERSION@
++Requires:
++Libs: -L${libdir} -lmuparser
++Cflags: -I${includedir} @PKG_CONFIG_FLAGS@
+diff --git a/src/gromacs/libgromacs.pc.cmakein b/src/gromacs/libgromacs.pc.cmakein
+index af9b5a6dc0..5f58d549bf 100644
+--- a/src/gromacs/libgromacs.pc.cmakein
++++ b/src/gromacs/libgromacs.pc.cmakein
+@@ -1,5 +1,4 @@
+-prefix=@CMAKE_INSTALL_PREFIX@
+-libdir=${prefix}/@CMAKE_INSTALL_LIBDIR@
++libdir=@CMAKE_INSTALL_FULL_LIBDIR@
+
+ Name: libgromacs@GMX_LIBS_SUFFIX@
+ Description: Gromacs library

pkgs/intel-oneapi/2023.nix

@@ -40,45 +40,19 @@ let
     mpi      = "2021.9.0";
   };
 
-  aptPackageIndex = stdenv.mkDerivation {
-    name = "intel-oneapi-packages";
-    srcs = [
-      # Run update.sh to update the package lists
-      ./amd64-packages ./all-packages
-    ];
-    phases = [ "installPhase" ];
-    installPhase = ''
-      awk -F': ' '\
-        BEGIN   { print "[ {" } \
-        NR>1 && /^Package: / { print "} {"; } \
-        /: /    { printf "%s = \"%s\";\n", $1, $2 } \
-        END     { print "} ]" }' $srcs > $out
-    '';
-  };
-
-  aptPackages = import aptPackageIndex;
-
-  apthost = "https://apt.repos.intel.com/oneapi/";
-
-  getSum = pkgList: name:
+  findMatch = name:
   let
-    matches = lib.filter (x: name == x.Package) pkgList;
-    #n = lib.length matches;
-    #match = builtins.trace (name + " -- ${builtins.toString n}") (lib.elemAt matches 0);
-    match = lib.elemAt matches 0;
-  in
-    match.SHA256;
-
-  getUrl = pkgList: name:
-  let
-    matches = lib.filter (x: name == x.Package) pkgList;
-    #match = assert lib.length matches == 1; lib.elemAt matches 0;
+    aptPackages = builtins.fromJSON (builtins.readFile ./packages.json);
+    matches = lib.filter (x: name == x.pname) aptPackages;
     n = lib.length matches;
-    match =
-      #builtins.trace (name + " -- n=${builtins.toString n}")
-      (lib.elemAt matches 0);
+    match = builtins.traceVerbose (name + " -- ${builtins.toString n}") (builtins.head matches);
+
+    apthost = "https://apt.repos.intel.com/oneapi/";
   in
-    apthost + match.Filename;
+    {
+      url = apthost + match.filename;
+      sha256 = match.sha256;
+    };
 
   uncompressDebs = debs: name: stdenv.mkDerivation {
     name = name;
@@ -98,10 +72,7 @@ let
 
   joinDebs = name: names:
   let
-    urls = builtins.map (x: getUrl aptPackages x) names;
-    sums = builtins.map (x: getSum aptPackages x) names;
-    getsrc = url: sha256: builtins.fetchurl { inherit url sha256; };
-    debs = lib.zipListsWith getsrc urls sums;
+    debs = builtins.map (x: builtins.fetchurl (findMatch x)) names;
   in
     uncompressDebs debs "${name}-source";
 
@@ -475,7 +446,7 @@ let
     '';
   };
 
-  ifort-wrapper = wrapIntel rec {
+  ifort-wrapper = wrapIntel {
     cc = intel-compiler-fortran;
     mygcc = gcc;
     extraBuild = ''

pkgs/intel-oneapi/packages.nix

@@ -0,0 +1,297 @@
+{
+  lib,
+  stdenv,
+  callPackage,
+  dpkg,
+  fetchurl,
+
+  sqlite,
+  elfutils,
+}:
+
+let
+  inherit (builtins)
+    attrNames
+    attrValues
+    concatMap
+    elem
+    filter
+    fromJSON
+    getAttr
+    groupBy
+    head
+    isNull
+    listToAttrs
+    map
+    mapAttrs
+    readFile
+    replaceStrings
+    splitVersion
+    ;
+  inherit (lib)
+    converge
+    findFirst
+    groupBy'
+    hasPrefix
+    optional
+    pipe
+    take
+    toInt
+    toList
+    versionAtLeast
+    versionOlder
+    ;
+
+  aptData = fromJSON (readFile ./packages.json);
+
+  # Compare versions in debian control file syntax
+  # See: https://www.debian.org/doc/debian-policy/ch-relationships.html#syntax-of-relationship-fields
+  #
+  # NOTE: this is not a proper version comparison
+  #
+  # A proper version solver, should aggregate dependencies with the same name
+  # and compute the constraint (e.g. a (>= 2) a (<< 5) -> 2 <= a << 5)
+  #
+  # But in the intel repo, there are no such "duplicated" dependencies to specify
+  # upper limits, which leads to issues when intel-hpckit-2021 depends on things
+  # like intel-basekit >= 2021.1.0-2403 and we end up installing the newest
+  # basekit instead of the one from 2021.
+  #
+  # To mitigate this, >= is set to take the latest version with matching major
+  # and minor (only revision and patch are allowed to change)
+  compareVersions =
+    got: kind: want:
+    let
+      g0 = take 2 (splitVersion got);
+      w0 = take 2 (splitVersion want);
+    in
+    if isNull want then
+      true
+    else if kind == "=" then
+      got == want
+    else if kind == "<<" then
+      versionOlder got want
+    else if kind == "<=" then
+      versionAtLeast want got
+    else if kind == ">>" then
+      versionOlder want got
+    else if kind == ">=" then
+      (g0 == w0) && versionAtLeast got want # always match major version
+    else
+      throw "unknown operation: ${kind}";
+
+  findMatching =
+    {
+      pname,
+      kind,
+      version,
+    }:
+    findFirst (x: pname == x.pname && compareVersions x.version kind version) null aptData;
+
+  isIntel = pkg: (hasPrefix "intel-" pkg.pname);
+
+  expandDeps =
+    pkg: (map findMatching (filter isIntel pkg.dependencies)) ++ (optional (pkg.size != 0) pkg);
+
+  # get the oldest by major version. If they have the same major version, take
+  # the newest. This prevents most issues with resolutions
+  # versionOlder b a -> true if b is older than a (b `older` a)
+  getNewerInMajor =
+    a: b:
+    let
+      va = a.version;
+      vb = b.version;
+      va0 = head (splitVersion va);
+      vb0 = head (splitVersion vb);
+    in
+    if isNull a then
+      b
+    else if va0 != vb0 then
+      if va0 > vb0 then b else a
+    else if versionOlder vb va then
+      a
+    else
+      b;
+  removeDups = l: attrValues (groupBy' getNewerInMajor null (getAttr "provides") l);
+
+  _resolveDeps = converge (l: removeDups (concatMap expandDeps l));
+  resolveDeps =
+    pkg:
+    let
+      deps = _resolveDeps (toList pkg);
+      namedDeps = (map (x: "${x.pname}-${x.version}") deps);
+    in
+    builtins.traceVerbose (builtins.deepSeq namedDeps namedDeps) deps;
+
+  blacklist = [
+    "intel-basekit-env"
+    "intel-basekit-getting-started"
+    "intel-hpckit-env"
+    "intel-hpckit-getting-started"
+    "intel-oneapi-advisor"
+    "intel-oneapi-common-licensing"
+    "intel-oneapi-common-oneapi-vars"
+    "intel-oneapi-common-vars"
+    "intel-oneapi-compiler-cpp-eclipse-cfg"
+    "intel-oneapi-compiler-dpcpp-eclipse-cfg"
+    "intel-oneapi-condaindex"
+    "intel-oneapi-dev-utilities-eclipse-cfg"
+    "intel-oneapi-dpcpp-ct-eclipse-cfg"
+    "intel-oneapi-eclipse-ide"
+    "intel-oneapi-hpc-toolkit-getting-started"
+    "intel-oneapi-icc-eclipse-plugin-cpp"
+    "intel-oneapi-vtune"
+    "intel-oneapi-vtune-eclipse-plugin-vtune"
+  ];
+
+  isInBlacklist = pkg: elem pkg.provides blacklist;
+  removeBlacklist = filter (e: !(isInBlacklist e));
+
+  dpkgExtractAll =
+    pname: version:
+    { srcs, deps }:
+    stdenv.mkDerivation {
+      inherit pname version srcs;
+
+      nativeBuildInputs = [ dpkg ];
+      phases = [ "installPhase" ];
+
+      passthru = { inherit deps; };
+
+      installPhase = ''
+        mkdir -p $out
+        for src in $srcs; do
+          echo "Unpacking $src"
+          dpkg -x $src $out
+        done
+      '';
+    };
+
+  apthost = "https://apt.repos.intel.com/oneapi/";
+  fetchDeb =
+    p:
+    fetchurl {
+      url = apthost + p.filename;
+      inherit (p) sha256;
+    };
+
+  buildIntel =
+    pkg:
+    pipe pkg [
+      resolveDeps
+      removeBlacklist
+      (l: {
+        srcs = map fetchDeb l;
+        deps = l;
+      })
+      (dpkgExtractAll "${pkg.provides}-extracted" pkg.version)
+    ];
+
+  findHpcKit =
+    year:
+    findMatching {
+      pname = "intel-hpckit";
+      kind = "<<";
+      version = toString (year + 1);
+    };
+  years = map toInt (attrNames components);
+
+  patchIntel = callPackage ./patch_intel.nix { };
+
+  # Version information for each hpckit. This is used to normalize the paths
+  # so that files are in $out/{bin,lib,include...} instead of all over the place
+  # in $out/opt/intel/oneapi/*/*/{...}.
+  #
+  # The most important is the compiler component, which is used to build the
+  # stdenv for the hpckit.
+  #
+  # NOTE: this have to be manually specified, so we can avoid IFD. To add a
+  # new version, add a new field with an empty attrset, (e.g. "2026" = {}; ),
+  # build hpckit_2026.unpatched and use the values from
+  # result/opt/intel/oneapi/* to populate the attrset.
+  #
+  # WARN: if there are more than one version in the folders of the unpatched
+  # components, our dependency resolution hacks have probably failed and the
+  # package set may be broken.
+  components = {
+    "2025" = {
+      ishmem = "1.4";
+      pti = "0.13";
+      tcm = "1.4";
+      umf = "0.11";
+
+      ccl = "2021.16";
+      compiler = "2025.2";
+      dal = "2025.8";
+      debugger = "2025.2";
+      dev-utilities = "2025.2";
+      dnnl = "2025.2";
+      dpcpp-ct = "2025.2";
+      dpl = "2022.9";
+      ipp = "2022.2";
+      ippcp = "2025.2";
+      mkl = "2025.2";
+      mpi = "2021.16";
+      tbb = "2022.2";
+    };
+    "2024" = {
+      tcm = "1.1";
+
+      ccl = "2021.13";
+      compiler = "2024.2";
+      dal = "2024.6";
+      debugger = "2024.2";
+      dev-utilities = "2024.2";
+      diagnostics = "2024.2";
+      dnnl = "2024.2";
+      dpcpp-ct = "2024.2";
+      dpl = "2022.6";
+      ipp = "2021.12";
+      ippcp = "2021.12";
+      mkl = "2024.2";
+      mpi = "2021.13";
+      tbb = "2021.13";
+
+      extraPackages = [
+        sqlite
+        elfutils
+      ];
+    };
+  };
+
+  replaceDots = replaceStrings [ "." ] [ "_" ];
+
+in
+lib.recurseIntoAttrs (
+  listToAttrs (
+    map (
+      year:
+      let
+        year_str = toString year;
+      in
+      {
+        name = "hpckit_${year_str}";
+        value = patchIntel {
+          unpatched = buildIntel (findHpcKit year);
+          components = components.${year_str};
+        };
+      }
+    ) years
+  )
+)
+// {
+  apt = pipe aptData [
+    (groupBy (p: replaceDots p.provides))
+    (mapAttrs (
+      _: l:
+      listToAttrs (
+        map (pkg: {
+          name = replaceDots ("v" + pkg.version);
+          value = pkg;
+        }) l
+      )
+    ))
+  ];
+
+  inherit resolveDeps patchIntel buildIntel;
+}

pkgs/intel-oneapi/patch_intel.nix

@@ -0,0 +1,199 @@
+{
+  stdenv,
+  stdenvNoCC,
+  lib,
+  symlinkJoin,
+  autoPatchelfHook,
+  wrapCCWith,
+  overrideCC,
+  gcc,
+  hwloc,
+  libelf,
+  libffi_3_3,
+  libpsm2,
+  libuuid,
+  libxml2,
+  numactl,
+  ocl-icd,
+  openssl,
+  python3,
+  rdma-core,
+  ucx,
+  zlib,
+  writeTextFile,
+}:
+
+lib.makeOverridable (
+  {
+    unpatched,
+    components ? { },
+    extraPackages ? components.extraPackages or [ ],
+  }:
+
+  let
+    inherit (builtins)
+      attrValues
+      filter
+      mapAttrs
+      removeAttrs
+      ;
+
+    __components = removeAttrs components [ "extraPackages" ];
+    _components = __components;
+    # _components = lib.traceSeqN 2 {
+    #   inherit unpatched __components;
+    #   deps = builtins.map (x: "${x.pname}-${x.version}") unpatched.deps;
+    # } __components;
+
+    wrapIntel =
+      cc:
+      let
+        targetConfig = stdenv.targetPlatform.config;
+      in
+      (wrapCCWith {
+        inherit cc;
+
+        nixSupport = {
+          cc-ldflags = [
+            "-L${gcc.cc}/lib/gcc/${targetConfig}/${gcc.version}"
+            "-L${gcc.cc.lib}/lib"
+            "-L${cc}/lib"
+          ];
+          cc-cflags = [
+            "--gcc-toolchain=${gcc.cc}"
+            "-isystem \"${cc.original}/lib/clang/*/include\""
+            "-isystem ${cc}/include"
+            "-isystem ${cc}/include/intel64"
+            "-isystem ${gcc.cc}/lib/gcc/${targetConfig}/${gcc.version}/include"
+          ];
+          libcxx-cxxflags = [
+            # "--gcc-toolchain=${gcc.cc}"
+            "-isystem ${gcc.cc}/include/c++/${gcc.version}"
+            "-isystem ${gcc.cc}/include/c++/${gcc.version}/${targetConfig}"
+          ];
+        };
+
+        extraBuildCommands = ''
+          # FIXME: We should find a better way to modify the PATH instead of using
+          # this ugly hack. See https://jungle.bsc.es/git/rarias/bscpkgs/issues/9
+          echo 'path_backup="${gcc.cc}/bin:$path_backup"' >>$out/nix-support/cc-wrapper-hook
+
+          # Disable hardening by default
+          echo "" > $out/nix-support/add-hardening.sh
+
+          wrap icx  $wrapper $ccPath/icx
+          wrap icpx $wrapper $ccPath/icpx
+          wrap ifx  $wrapper $ccPath/ifx
+
+          ln -s $out/bin/icpx $out/bin/c++
+          ln -s $out/bin/icx  $out/bin/cc
+
+          ln -s $ccPath/sycl-ls $out/bin/sycl-ls
+          ln -s $ccPath/sycl-trace $out/bin/sycl-trace
+
+          sed -i 's/.*isCxx=0/isCxx=1/' $out/bin/icpx
+
+          # Use this to detect when a compiler subprocess is called
+          # from icpx (--fsycl-host-compiler)
+          echo 'export NIX_CC_WRAPPER_INTEL=1' >>$out/nix-support/cc-wrapper-hook
+
+          # oneMath looks for sycl libraries in bin/../lib
+          ln -s ${cc}/lib $out/lib
+          ln -s ${cc}/include $out/include
+        '';
+      }).overrideAttrs
+        (old: {
+          installPhase = old.installPhase + ''
+            export named_cc="icx"
+            export named_cxx="icpx"
+            export named_fc="ifx"
+          '';
+        });
+
+  in
+  stdenvNoCC.mkDerivation (finalAttrs: {
+    pname = lib.removeSuffix "-extracted" unpatched.pname;
+    inherit (unpatched) version;
+    src = unpatched;
+
+    phases = [
+      "installPhase"
+      "fixupPhase"
+    ];
+    buildInputs = [
+      libffi_3_3
+      libelf
+      libxml2
+      hwloc
+      numactl
+      libuuid
+      libpsm2
+      zlib
+      ocl-icd
+      rdma-core
+      ucx
+      openssl
+      python3
+      stdenv.cc.cc.lib
+    ]
+    ++ extraPackages;
+
+    autoPatchelfIgnoreMissingDeps = [
+      "libhwloc.so.5"
+      "libcuda.so.1"
+      "libze_loader.so.1"
+    ];
+
+    # There are broken symlinks that go outside packages, ignore them
+    dontCheckForBrokenSymlinks = true;
+
+    nativeBuildInputs = [ autoPatchelfHook ];
+    installPhase = ''
+      cp -r $src/opt/intel/oneapi/ $out
+    '';
+
+    passthru =
+      let
+        pkgs = mapAttrs (
+          folder: version:
+          let
+            original = "${finalAttrs.finalPackage}/${folder}/${version}";
+
+            etc-vendors = writeTextFile {
+              name = "intel-ocl-icd";
+              text = "${original}/lib/libintelocl.so";
+              destination = "/etc/OpenCL/vendors/intel.icd";
+            };
+          in
+          symlinkJoin {
+            pname = "intel-${folder}";
+            inherit version;
+            paths = [ original ] ++ lib.optionals (folder == "compiler") [ etc-vendors ];
+            passthru = { inherit original; };
+          }
+        ) _components;
+      in
+      pkgs
+      // {
+        inherit unpatched;
+        pkgs = lib.recurseIntoAttrs pkgs;
+        components = _components;
+
+        # This contains all packages properly symlinked into toplevel directories
+        # in $out.
+        #
+        # NOTE: there are clashes with packages that have symlinks outside their
+        # scope (libtcm and env/vars.sh)
+        all = symlinkJoin {
+          pname = finalAttrs.finalPackage.pname + "-symlinked";
+          inherit (finalAttrs.finalPackage) version;
+          paths = filter lib.isDerivation (attrValues finalAttrs.finalPackage.pkgs);
+        };
+
+        stdenv = overrideCC stdenv finalAttrs.finalPackage.cc;
+
+        cc = wrapIntel finalAttrs.finalPackage.pkgs.compiler;
+      };
+
+  })
+)

pkgs/intel-oneapi/process.jq

@@ -0,0 +1,29 @@
+#!/usr/bin/env -S jq -f
+
+def extract_fields: {
+        pname : .Package,
+        version : .Version,
+        provides : .Package | sub("[0-9.-]*$"; ""),
+        filename : .Filename,
+        size : ."Installed-Size" | tonumber,
+        sha256 : .SHA256,
+        dependencies : .Depends,
+    } ;
+
+# parses dependencies into a list of [{.pname, .kind, .version}]
+# some dependencies do not have a version specified, in which case, kind = version = null
+#
+# example dependencies:
+# intel-oneapi-common-vars (>= 2023.0.0-25325), intel-oneapi-common-licensing-2023.0.0
+
+def split_dependencies : map(try(.dependencies |= split(",\\s?"; "")) // .dependencies |= []) ;
+
+def match_version : capture("(?<pname>[a-zA-Z0-9_\\-.]*) *(\\((?<kind>[<>=]*) *(?<version>.*)\\))?"; "") ;
+
+def parse_dependencies : map_values(.dependencies.[] |= match_version) ;
+
+def sort_version_decreasing : sort_by(.version | split("[-.]"; "") | map(tonumber)) | reverse ;
+
+map(extract_fields) | split_dependencies | parse_dependencies | sort_version_decreasing
+
+# [.[] | select(.pname == "intel-hpckit") | .version]

pkgs/intel-oneapi/toJson.awk

@@ -0,0 +1,29 @@
+#!/usr/bin/env -S awk -f
+
+BEGIN   {
+    FS=": "
+
+    prev_empty=1
+    t="  "
+
+    print "[ {"
+}
+
+!NF { # empty line, update separator so next non empty line closes the dict
+    prev_empty=1
+    t="},\n{ "
+    next # skip line (we won't match anything else)
+}
+
+{
+    printf t "\"%s\" : \"%s\"\n", $1, $2
+
+    if (prev_empty) {
+        # we were the first after a group of empty lines, following ones have to
+        # have a comma
+        prev_empty=0
+        t=", "
+    }
+}
+
+END     { print "} ]" }

pkgs/intel-oneapi/update.sh

@@ -1,4 +1,11 @@
 #!/bin/sh
 
-curl https://apt.repos.intel.com/oneapi/dists/all/main/binary-amd64/Packages -o amd64-packages
-curl https://apt.repos.intel.com/oneapi/dists/all/main/binary-all/Packages -o all-packages
+out_64=$(mktemp intel-api.64.XXXXXX)
+out_all=$(mktemp intel-api.all.XXXXXX)
+trap 'rm -f "$out_64" "$out_all"' EXIT INT HUP
+
+curl https://apt.repos.intel.com/oneapi/dists/all/main/binary-amd64/Packages -o "$out_64"
+curl https://apt.repos.intel.com/oneapi/dists/all/main/binary-all/Packages -o "$out_all"
+
+# NOTE: we use `jq -r tostring` to minify the json (3.2Mb -> 2.3Mb)
+cat "$out_64" "$out_all" | ./toJson.awk | ./process.jq | jq -r tostring >packages.json

pkgs/llvm-intel/default.nix

@@ -0,0 +1,200 @@
+{
+  stdenv,
+  lib,
+  ninja,
+  addDriverRunpath,
+  cmake,
+  emhash,
+  fetchFromGitHub,
+  khronos-ocl-icd-loader,
+  libbacktrace,
+  opencl-headers,
+  parallel-hashmap,
+  perl,
+  pkg-config,
+  python3,
+  spirv-headers,
+  spirv-tools,
+  symlinkJoin,
+  zlib,
+
+  cudaPackages,
+  enableCuda ? true,
+}:
+
+let
+  version = "6.2.1";
+  src = fetchFromGitHub {
+    owner = "intel";
+    repo = "llvm";
+    tag = "v${version}";
+    sha256 = "sha256-j8+DmGKO0qDF5JjH+DlkLKs1kBz6dS7ukwySd/Crqv0=";
+  };
+
+  pinned = {
+    inherit parallel-hashmap;
+
+    vc-intrinsics.src = fetchFromGitHub {
+      owner = "intel";
+      repo = "vc-intrinsics";
+      rev = "4e51b2467104a257c22788e343dafbdde72e28bb";
+      sha256 = "sha256-AHXeKbih4bzmcuu+tx2TeS7Ixmk54uS1vKFVxI6ZP8g=";
+    };
+
+    unified-memory-framework.src = fetchFromGitHub {
+      owner = "oneapi-src";
+      repo = "unified-memory-framework";
+      tag = "v0.11.0";
+      sha256 = "sha256-k8QdP2u1QOoeCZ6ps4sM8+1iZq/H3q0lqCfVk8mz9KI=";
+    };
+
+    ocl-headers = opencl-headers.overrideAttrs {
+      version = "2024.10.24";
+      src = fetchFromGitHub {
+        owner = "KhronosGroup";
+        repo = "OpenCL-Headers";
+        tag = "v2024.10.24";
+        sha256 = "sha256-KDlruE0IG8d+lAChxYyc6dg5XOvqCMrMyO69sdAzejA=";
+      };
+    };
+
+    ocl-icd = khronos-ocl-icd-loader;
+
+    spirv-headers = spirv-headers.overrideAttrs {
+      version = "1.4.309.0";
+      src = fetchFromGitHub {
+        owner = "KhronosGroup";
+        repo = "SPIRV-Headers";
+        tag = "vulkan-sdk-1.4.309.0";
+        sha256 = "sha256-Q1i6i5XimULuGufP6mimwDW674anAETUiIEvDQwvg5Y=";
+      };
+    };
+  };
+
+  fetchcontent_cmakeFlags = lib.mapAttrsToList (
+    name: value: (lib.cmakeFeature "FETCHCONTENT_SOURCE_DIR_${lib.toUpper name}" (toString value.src))
+  ) pinned;
+
+  # Hack to fix #include <emhash/...>
+  emhash' = symlinkJoin {
+    name = "emhash";
+    paths = [ emhash ];
+    postBuild = ''
+      pushd $out/include
+      ln -s . emhash
+      popd
+    '';
+  };
+
+in
+stdenv.mkDerivation {
+  pname = "intel-llvm";
+  inherit src version;
+
+  enableParallelBuilding = true;
+  strictDeps = true;
+
+  nativeBuildInputs = [
+    perl
+    cmake
+    ninja
+    pkg-config
+    python3
+    spirv-tools
+    addDriverRunpath
+  ]
+  ++ lib.optionals enableCuda [
+    cudaPackages.cuda_nvcc
+  ];
+
+  buildInputs = [
+    emhash'
+    libbacktrace
+    zlib
+
+    pinned.ocl-icd
+    pinned.ocl-headers
+    pinned.spirv-headers
+  ]
+  ++ lib.optionals enableCuda [
+    cudaPackages.cudatoolkit
+  ];
+
+  patches = [ ./fix-ur.patch ]; # Has been fixed in next release
+
+  preBuild = ''
+    chmod -R u+w /build/source
+  '';
+
+  cmakeDir = "../llvm";
+
+  cmakeFlags =
+    let
+      cmakeList = name: l: lib.cmakeOptionType "list" name (builtins.concatStringsSep ";" l);
+
+      LLVM_EXTERNAL_PROJECTS = [
+        "sycl"
+        "llvm-spirv"
+        "opencl"
+        "xpti"
+        "xptifw"
+        "compiler-rt"
+        "sycl-jit"
+      ]
+      ++ lib.optionals enableCuda [
+        "libclc"
+      ];
+    in
+    [
+      (lib.cmakeBool "LLVM_ENABLE_ASSERTIONS" true)
+
+      (cmakeList "LLVM_TARGETS_TO_BUILD" (
+        [
+          "host"
+          "SPIRV"
+        ]
+        ++ lib.optionals enableCuda [ "NVPTX" ]
+      ))
+      (cmakeList "LLVM_EXTERNAL_PROJECTS" LLVM_EXTERNAL_PROJECTS)
+      (cmakeList "LLVM_ENABLE_PROJECTS" ([ "clang" ] ++ LLVM_EXTERNAL_PROJECTS))
+
+      (lib.cmakeBool "UR_USE_EXTERNAL_UMF" false)
+      (lib.cmakeOptionType "path" "UR_OPENCL_INCLUDE_DIR" (toString pinned.ocl-headers))
+      (lib.cmakeOptionType "path" "UR_OPENCL_ICD_LOADER_LIBRARY" (toString pinned.ocl-icd))
+      (lib.cmakeFeature "UR_OPENCL_ICD_LOADER_LIBRARY" (toString pinned.ocl-icd))
+
+      (lib.cmakeBool "BUILD_SHARED_LIBS" false)
+      (lib.cmakeBool "LLVM_BUILD_TOOLS" true)
+      (lib.cmakeBool "LLVM_ENABLE_ZSTD" true)
+      (lib.cmakeBool "LLVM_USE_STATIC_ZSTD" true)
+      (lib.cmakeBool "LLVM_ENABLE_DOXYGEN" false)
+      (lib.cmakeBool "LLVM_ENABLE_LLD" false)
+      (lib.cmakeBool "LLVM_ENABLE_SPHINX" false)
+      (lib.cmakeBool "LLVM_SPIRV_ENABLE_LIBSPIRV_DIS" false)
+      (lib.cmakeBool "SYCL_ENABLE_WERROR" false)
+      (lib.cmakeBool "SYCL_INCLUDE_TESTS" false)
+      (lib.cmakeBool "SYCL_ENABLE_EXTENSION_JIT" true)
+      (lib.cmakeBool "SYCL_ENABLE_MAJOR_RELEASE_PREVIEW_LIB" false)
+      (lib.cmakeBool "SYCL_ENABLE_XPTI_TRACING" true)
+      (lib.cmakeBool "XPTI_ENABLE_WERROR" false)
+
+      (cmakeList "SYCL_ENABLE_BACKENDS" ([ "opencl" ] ++ lib.optionals enableCuda [ "cuda" ]))
+    ]
+    ++ fetchcontent_cmakeFlags
+    ++ lib.optionals enableCuda [
+      (lib.cmakeOptionType "list" "LIBCLC_TARGETS_TO_BUILD" "nvptx64--nvidiacl")
+      (lib.cmakeBool "LIBCLC_GENERATE_REMANGLED_VARIANTS" true)
+      (lib.cmakeBool "LIBCLC_NATIVECPU_HOST_TARGET" false)
+    ];
+
+  meta = {
+    homepage = "https://github.com/intel/llvm";
+    description = "Intel staging area for llvm.org contribution";
+    maintainers = with lib.maintainers.bsc; [ abonerib ];
+    platforms = lib.platforms.linux;
+    license = [
+      lib.licenses.asl20
+      lib.licenses.llvm-exception
+    ];
+  };
+}

pkgs/llvm-intel/fix-ur.patch

@@ -0,0 +1,23 @@
+diff --git a/unified-runtime/source/adapters/cuda/CMakeLists.txt b/unified-runtime/source/adapters/cuda/CMakeLists.txt
+index a8401c71a..2ab363926 100644
+--- a/unified-runtime/source/adapters/cuda/CMakeLists.txt
++++ b/unified-runtime/source/adapters/cuda/CMakeLists.txt
+@@ -62,14 +62,14 @@ add_library(cudadrv SHARED IMPORTED GLOBAL)
+ if (WIN32)
+   set_target_properties(
+     cudadrv PROPERTIES 
+-      IMPORTED_IMPLIB               ${CUDA_cuda_driver_LIBRARY}
+-      INTERFACE_INCLUDE_DIRECTORIES ${CUDAToolkit_INCLUDE_DIRS}
++      IMPORTED_IMPLIB               "${CUDA_cuda_driver_LIBRARY}"
++      INTERFACE_INCLUDE_DIRECTORIES "${CUDAToolkit_INCLUDE_DIRS}"
+   )
+ else()
+   set_target_properties(
+     cudadrv PROPERTIES 
+-      IMPORTED_LOCATION             ${CUDA_cuda_driver_LIBRARY}
+-      INTERFACE_INCLUDE_DIRECTORIES ${CUDAToolkit_INCLUDE_DIRS}
++      IMPORTED_LOCATION             "${CUDA_cuda_driver_LIBRARY}"
++      INTERFACE_INCLUDE_DIRECTORIES "${CUDAToolkit_INCLUDE_DIRS}"
+   )
+ endif()
+ 

pkgs/llvm-ompss2/clang.nix

@@ -1,9 +1,9 @@
 {
-  stdenv
-, llvmPackages_latest
+  llvmPackages_latest
 , lib
 , fetchFromGitHub
 , cmake
+, bash
 , python3
 , perl
 , which
@@ -11,6 +11,7 @@
 , libffi
 , zlib
 , pkg-config
+, gcc # needed to set the rpath of libstdc++ for clang-tblgen
 , enableDebug ? false
 , useGit ? false
 , gitUrl ? "ssh://git@bscpm04.bsc.es/llvm-ompss/llvm-mono.git"
@@ -19,10 +20,7 @@
 }:
 
 let
-  llvmPackages = llvmPackages_latest;
-  llvmStdenv = llvmPackages.stdenv;
-  # needed to set the rpath of libstdc++ for clang-tblgen
-  gcc = stdenv.cc;
+  stdenv = llvmPackages_latest.stdenv;
 
   release = rec {
     version = "2025.11";
@@ -45,7 +43,7 @@ let
 
   source = if (useGit) then git else release;
 
-in llvmStdenv.mkDerivation {
+in stdenv.mkDerivation {
   pname = "clang-ompss2";
   inherit (source) src version;
 
@@ -63,12 +61,13 @@ in llvmStdenv.mkDerivation {
   };
 
   nativeBuildInputs = [
+    bash
     cmake
     elfutils
-    llvmPackages.lld
-    perl
+    llvmPackages_latest.lld
     pkg-config
     python3
+    perl
     which
     zlib
   ];
@@ -99,13 +98,8 @@ in llvmStdenv.mkDerivation {
     cd build
     cmakeDir="../llvm"
     cmakeFlagsArray=(
-      "-DLLVM_HOST_TRIPLE=${llvmStdenv.targetPlatform.config}"
-    '' + (if "${llvmStdenv.targetPlatform.config}" == "riscv64-unknown-linux-gnu" then ''
-      "-DLLVM_DEFAULT_TARGET_TRIPLE=riscv64-unknown-linux-gnu"
-      "-DLLVM_TARGETS_TO_BUILD=RISCV"
-    '' else ''
+      "-DLLVM_HOST_TRIPLE=${stdenv.targetPlatform.config}"
       "-DLLVM_TARGETS_TO_BUILD=host"
-    '') + ''
       "-DLLVM_BUILD_LLVM_DYLIB=ON"
       "-DLLVM_LINK_LLVM_DYLIB=ON"
       # Required to run clang-ast-dump and clang-tblgen during build
@@ -114,8 +108,7 @@ in llvmStdenv.mkDerivation {
       "-DCMAKE_CXX_FLAGS_DEBUG=-g -ggnu-pubnames"
       "-DCMAKE_EXE_LINKER_FLAGS_DEBUG=-Wl,--gdb-index"
       "-DLLVM_LIT_ARGS=-sv --xunit-xml-output=xunit.xml"
-      "-DLLVM_ENABLE_PROJECTS=clang;lld"
-      "-DLLVM_ENABLE_RUNTIMES=compiler-rt"
+      "-DLLVM_ENABLE_PROJECTS=clang;compiler-rt;lld"
       "-DLLVM_ENABLE_ASSERTIONS=ON"
       "-DLLVM_INSTALL_TOOLCHAIN_ONLY=ON"
       "-DCMAKE_INSTALL_BINDIR=bin"

pkgs/llvm-ompss2/default.nix

@@ -3,42 +3,26 @@
 , lib
 , gcc
 , clangOmpss2Unwrapped
-
-, openmp
-, useOpenmp  ? false
-, openmpv
-, useOpenmpV ? false
-, nanos6
-, useNanos6 ? false
-, nodes
-, useNodes ? false
-
+, writeShellScript
+, openmp ? null
 , wrapCCWith
 , llvmPackages_latest
+, ompss2rt ? null
 }:
 
 with lib;
 
 let
-  getSplice = target: pkg: if pkg ? "__spliced" && pkg.__spliced ? target then pkg.__spliced."${target}" else pkg;
-  getSpliceTargetTarget = getSplice "targetTarget";
-  omp = if useOpenmp then openmp else if useOpenmpV then openmpv else null;
-  ompss2rtUnspliced = if useNanos6 then nanos6 else if useNodes then nodes else null;
-  ompss2rt = getSpliceTargetTarget ompss2rtUnspliced;
-  usingNodesAndOmpv = omp != null && ompss2rt != null && (omp.pname == "openmp-v" && ompss2rt.pname == "nodes");
-  sameNosvUnspliced = omp != null && ompss2rtUnspliced != null && omp.nosv == ompss2rtUnspliced.nosv;
-  sameNosvSpliced = (getSpliceTargetTarget omp.nosv) == ompss2rt.nosv;
+  usingNodesAndOmpv = (openmp.pname == "openmp-v" && ompss2rt.pname == "nodes");
+  sameNosv = openmp.nosv == ompss2rt.nosv;
 in
 
-assert assertMsg (usingNodesAndOmpv -> sameNosvUnspliced) "OpenMP-V and NODES must share the same nOS-V before splice";
-assert assertMsg (usingNodesAndOmpv -> sameNosvSpliced) "OpenMP-V and NODES must share the same nOS-V after splice";
-assert assertMsg (useOpenmp -> !useOpenmpV) "Either OpenMP or OpenMP-V may be enabled, but not both";
-assert assertMsg (useNanos6 -> !useNodes) "Either Nanos6 or NODES may be enabled, but not both";
+assert assertMsg (usingNodesAndOmpv -> sameNosv) "OpenMP-V and NODES must share the same nOS-V";
 
 let
   homevar = if ompss2rt.pname == "nanos6" then "NANOS6_HOME" else "NODES_HOME";
   rtname  = if ompss2rt.pname == "nanos6" then "libnanos6" else "libnodes";
-  ompname = if omp.pname == "openmp-v" then  "libompv" else "libomp";
+  ompname = if openmp.pname == "openmp-v" then  "libompv" else "libomp";
 
 
   # We need to replace the lld linker from bintools with our linker just built,
@@ -54,10 +38,7 @@ let
   inherit gcc;
   cc = clangOmpss2Unwrapped;
   gccVersion = with versions; let v = gcc.version; in concatStringsSep "." [(major v) (minor v) (patch v)];
-in (wrapCCWith {
-  inherit cc bintools;
-  # extraPackages adds packages to depsTargetTargetPropagated
-  extraPackages = optional (omp != null) omp;
+
   extraBuildCommands = ''
     echo "-target ${targetConfig}" >> $out/nix-support/cc-cflags
     echo "-B${gcc.cc}/lib/gcc/${targetConfig}/${gccVersion}" >> $out/nix-support/cc-cflags
@@ -73,15 +54,51 @@ in (wrapCCWith {
 
     echo "--gcc-toolchain=${gcc}" >> $out/nix-support/cc-cflags
 
-    wrap ${targetConfig}clang++  $wrapper $ccPath/clang++
-    wrap ${targetConfig}clang    $wrapper $ccPath/clang
-
-  '' + optionalString (omp != null) ''
-    echo "export OPENMP_RUNTIME=${ompname}" >> $out/nix-support/cc-wrapper-hook
-  '' + optionalString (ompss2rt != null) ''
-    echo "export OMPSS2_RUNTIME=${rtname}" >> $out/nix-support/cc-wrapper-hook
-    echo "export ${homevar}=${ompss2rt}"   >> $out/nix-support/cc-wrapper-hook
-  '' + optionalString (ompss2rt != null && ompss2rt.pname == "nodes") ''
-    echo "export NOSV_HOME=${ompss2rt}" >> $out/nix-support/cc-wrapper-hook
+    wrap clang++  $wrapper $ccPath/clang++
   '';
-}).overrideAttrs (prev: { passthru = (prev.passthru or {}) // { inherit ompss2rt; }; })
+
+  envExports = lib.optionalString (openmp != null) ''
+      echo "export OPENMP_RUNTIME=${ompname}" >> $out/nix-support/cc-wrapper-hook
+    '' + optionalString (ompss2rt != null) ''
+      echo "export OMPSS2_RUNTIME=${rtname}" >> $out/nix-support/cc-wrapper-hook
+      echo "export ${homevar}=${ompss2rt}"   >> $out/nix-support/cc-wrapper-hook
+    '' + optionalString (ompss2rt != null && ompss2rt.pname == "nodes") ''
+      echo "export NOSV_HOME=${ompss2rt.nosv}" >> $out/nix-support/cc-wrapper-hook
+    '';
+
+  extraPackages = optional (openmp != null) openmp;
+
+  wrappedCC = wrapCCWith {
+    # extraPackages adds packages to depsTargetTargetPropagated
+    inherit cc bintools extraPackages;
+    extraBuildCommands = extraBuildCommands + envExports;
+  };
+
+  resetIntelCCFlags = let tconf = builtins.replaceStrings ["-"] ["_"] targetConfig;
+  in writeShellScript "remove-intel.sh" ''
+    if [ "''${NIX_CC_WRAPPER_INTEL:-0}" = 1 ]; then
+      unset NIX_CFLAGS_COMPILE_${tconf}
+      unset NIX_CC_WRAPPER_FLAGS_SET_${tconf}
+
+      if (( "''${NIX_DEBUG:-0}" >= 1 )); then
+        echo "ompss2: cleaned NIX_CFLAGS_COMPILE_${tconf} (invokation from intel compiler detected)"
+      fi
+    fi
+  '';
+
+  intelExtraBuildCommands = ''
+    sed -i 's|# Flirting.*|source ${resetIntelCCFlags}\n\n&|' $out/bin/clang
+    sed -i 's|# Flirting.*|source ${resetIntelCCFlags}\n\n&|' $out/bin/clang++
+  '';
+
+  wrappedCCIntel = wrapCCWith {
+    inherit cc bintools extraPackages;
+    # extraPackages adds packages to depsTargetTargetPropagated
+    extraBuildCommands = intelExtraBuildCommands + envExports;
+  };
+
+in wrappedCC.overrideAttrs (oldAttrs: {
+    passthru = oldAttrs.passthru // {
+      forIcpx = wrappedCCIntel;
+    };
+  })

pkgs/onemath/default.nix

@@ -0,0 +1,91 @@
+{
+  lib,
+  fetchFromGitHub,
+  cmake,
+  withCFlags,
+  intelPackages,
+
+  mklSupport ? true,
+
+  config,
+
+  cudaSupport ? config.cudaSupport,
+  cudaPackages ? { },
+
+  rocmSupport ? config.rocmSupport,
+  hipTargets ? null, # only one target at a time supported
+  rocmPackages ? { },
+}:
+
+let
+  # rocmSupport is not enough, we need a specific target
+  enableHip = rocmSupport && hipTargets != null;
+
+  stdenv = withCFlags (lib.optionals cudaSupport [
+    "--cuda-path=${cudaPackages.cudatoolkit}"
+  ]) intelPackages.stdenv;
+in
+
+# at least one backend has to be enabled
+assert mklSupport || cudaSupport || enableHip;
+
+stdenv.mkDerivation rec {
+  pname = "oneMath";
+  version = "0.8";
+
+  src = fetchFromGitHub {
+    owner = "uxlfoundation";
+    repo = "oneMath";
+    rev = "v${version}";
+    sha256 = "sha256-xK8lKI3oqKlx3xtvdScpMq+HXAuoYCP0BZdkEqnJP5o=";
+  };
+
+  cmakeFlags = [
+    (lib.cmakeBool "ENABLE_MKLCPU_BACKEND" mklSupport)
+    (lib.cmakeBool "ENABLE_MKLGPU_BACKEND" mklSupport)
+
+    (lib.cmakeBool "ENABLE_CUBLAS_BACKEND" cudaSupport)
+    (lib.cmakeBool "ENABLE_CUFFT_BACKEND" cudaSupport)
+    (lib.cmakeBool "ENABLE_CURAND_BACKEND" cudaSupport)
+    (lib.cmakeBool "ENABLE_CUSOLVER_BACKEND" cudaSupport)
+    (lib.cmakeBool "ENABLE_CUSPARSE_BACKEND" cudaSupport)
+
+    (lib.cmakeBool "ENABLE_ROCBLAS_BACKEND" enableHip)
+    (lib.cmakeBool "ENABLE_ROCFFT_BACKEND" enableHip)
+    (lib.cmakeBool "ENABLE_ROCSOLVER_BACKEND" enableHip)
+    (lib.cmakeBool "ENABLE_ROCRAND_BACKEND" enableHip)
+    (lib.cmakeBool "ENABLE_ROCSPARSE_BACKEND" enableHip)
+
+    (lib.cmakeBool "BUILD_FUNCTIONAL_TESTS" false)
+    (lib.cmakeBool "BUILD_EXAMPLES" false)
+  ]
+  ++ lib.optionals enableHip [
+    (lib.cmakeFeature "HIP_TARGETS" hipTargets)
+  ];
+
+  nativeBuildInputs = [ cmake ];
+  buildInputs =
+    lib.optionals (mklSupport) [
+      intelPackages.mkl
+      intelPackages.tbb
+    ]
+    ++ lib.optionals (enableHip) [
+      rocmPackages.rocmPath
+      rocmPackages.rocblas
+      rocmPackages.rocfft
+      rocmPackages.rocsolver
+      rocmPackages.rocrand
+      rocmPackages.rocsparse
+    ]
+    ++ lib.optionals (cudaSupport) [
+      (lib.getDev cudaPackages.cuda_cudart)
+      cudaPackages.cudatoolkit
+
+      cudaPackages.libcublas
+      cudaPackages.libcurand
+      cudaPackages.libcufft
+      cudaPackages.libcusparse
+      cudaPackages.libcusolver
+    ];
+
+}

pkgs/pertalde/default.nix

@@ -0,0 +1,47 @@
+{
+  lib,
+  python3,
+  fetchPypi,
+  cargo,
+  rustPlatform,
+  rustc,
+}:
+
+let
+  pname = "pertalde";
+  version = "0.1.4";
+
+  src = fetchPypi {
+    inherit pname version;
+    hash = "sha256-KdS5yNYR+8z81hMBTl9oNiLi17cVLyoZBNNR88T/gOY=";
+  };
+in
+python3.pkgs.buildPythonApplication {
+  inherit pname version src;
+  pyproject = true;
+  strictDeps = true;
+
+  cargoDeps = rustPlatform.fetchCargoVendor {
+    inherit src;
+    name = "${pname}-${version}";
+    hash = "sha256-dQ8EKlYZq+Urtb+0zxRi/Vh/ormIGCNKHy/9entyb7g=";
+  };
+
+  # error[E0554]: `#![feature]` may not be used on the stable release channel
+  env.RUSTC_BOOTSTRAP = true;
+
+  build-system = [
+    cargo
+    rustPlatform.cargoSetupHook
+    rustPlatform.maturinBuildHook
+    rustc
+  ];
+
+  meta = {
+    description = "Some command-line utilities on paraver traces";
+    homepage = "https://pypi.org/project/pertalde/";
+    license = lib.licenses.gpl3Only;
+    maintainers = with lib.maintainers.bsc; [ abonerib ];
+    mainProgram = "ptd";
+  };
+}

pkgs/pocl/0001-cmake-do-not-use-suffix.patch

@@ -0,0 +1,26 @@
+From ccf301659caac9b5e973ba1f2d32352acf617a98 Mon Sep 17 00:00:00 2001
+From: =?UTF-8?q?Aleix=20Bon=C3=A9?= <aleix.boneribo@bsc.es>
+Date: Tue, 2 Jul 2024 16:45:05 +0200
+Subject: [PATCH] cmake: do not use suffix
+
+---
+ cmake/LLVM.cmake                              |  3 ++
+ 1 files changed, 3 insertions(+)
+
+diff --git a/cmake/LLVM.cmake b/cmake/LLVM.cmake
+index f4dbda065..e29144dce 100644
+--- a/cmake/LLVM.cmake
++++ b/cmake/LLVM.cmake
+@@ -65,6 +65,9 @@ else()
+     message(WARNING "Cannot determine llvm binary suffix from ${LLVM_CONFIG}")
+   endif()
+   message(STATUS "LLVM binaries suffix : ${LLVM_BINARY_SUFFIX}")
++
++  # We don't want suffixes in nix
++  set(LLVM_BINARY_SUFFIX "")
+ endif()
+ 
+ get_filename_component(LLVM_CONFIG_LOCATION "${LLVM_CONFIG}" DIRECTORY)
+-- 
+2.45.1
+

pkgs/pocl/0001-cmake-native-build-tools.patch

@@ -0,0 +1,33 @@
+From f24b456c50f587b05cc8f2699c94d8cdefc5b13e Mon Sep 17 00:00:00 2001
+From: =?UTF-8?q?Aleix=20Bon=C3=A9?= <aleix.boneribo@bsc.es>
+Date: Tue, 2 Jul 2024 17:11:11 +0200
+Subject: [PATCH] cmake: native build tools
+
+---
+ cmake/LLVM.cmake                    |   7 +-
+ 1 files changed, 6 insertions(+), 1 deletion(-)
+
+diff --git a/cmake/LLVM.cmake b/cmake/LLVM.cmake
+index e29144dce..b9f14ce6a 100644
+--- a/cmake/LLVM.cmake
++++ b/cmake/LLVM.cmake
+@@ -269,10 +269,15 @@ endforeach()
+ 
+ ####################################################################
+ 
++if(DEFINED LLVM_NATIVE_TOOL_DIR)
++  set(TOOL_DIR "${LLVM_NATIVE_TOOL_DIR}")
++  message(STATUS "TOOL_DIR=${TOOL_DIR}")
++endif()
++
+ macro(find_program_or_die OUTPUT_VAR PROG_NAME DOCSTRING)
+   find_program(${OUTPUT_VAR}
+     NAMES "${PROG_NAME}${LLVM_BINARY_SUFFIX}${CMAKE_EXECUTABLE_SUFFIX}"
+-    HINTS "${LLVM_BINDIR}" "${LLVM_CONFIG_LOCATION}"
++    HINTS "${TOOL_DIR}" "${LLVM_BINDIR}" "${LLVM_CONFIG_LOCATION}"
+     DOC "${DOCSTRING}"
+     NO_CMAKE_PATH
+     NO_CMAKE_ENVIRONMENT_PATH
+-- 
+2.45.1
+

pkgs/pocl/0001-cmake-use-clang-from-cmake-variable.patch

@@ -0,0 +1,48 @@
+From 4688b5ce895761c884ae15fc0234ed8d623b988b Mon Sep 17 00:00:00 2001
+From: =?UTF-8?q?Aleix=20Bon=C3=A9?= <aleix.boneribo@bsc.es>
+Date: Tue, 2 Jul 2024 15:41:47 +0200
+Subject: [PATCH] cmake: use clang from cmake variable
+
+---
+ cmake/LLVM.cmake | 22 ++++++++++++++++++++--
+ 1 file changed, 20 insertions(+), 2 deletions(-)
+
+diff --git a/cmake/LLVM.cmake b/cmake/LLVM.cmake
+index 71b786dc7..f4dbda065 100644
+--- a/cmake/LLVM.cmake
++++ b/cmake/LLVM.cmake
+@@ -281,11 +281,29 @@ macro(find_program_or_die OUTPUT_VAR PROG_NAME DOCSTRING)
+   endif()
+ endmacro()
+ 
+-find_program_or_die( CLANG "clang" "clang binary")
++# -DCMAKE_C_COMPILER=riscv64-unknown-linux-gnu-clang -DCMAKE_CXX_COMPILER=riscv64-unknown-linux-gnu-clang++
++
++# if(DEFINED CLANG_EXECUTABLE)
++if(DEFINED CMAKE_C_COMPILER)
++  # set(CLANG "${CLANG_EXECUTABLE}")
++  set(CLANG "${CMAKE_C_COMPILER}")
++  message(STATUS "Using CLANG_EXECUTABLE: ${CLANG}")
++else()
++  find_program_or_die( CLANG "clang" "clang binary")
++endif()
+ execute_process(COMMAND "${CLANG}" "--version" OUTPUT_VARIABLE LLVM_CLANG_VERSION RESULT_VARIABLE CLANG_RES)
++
+ # TODO this should be optional
+-find_program_or_die( CLANGXX "clang++" "clang++ binary")
++# if(DEFINED CLANGXX_EXECUTABLE)
++if(DEFINED CMAKE_CXX_COMPILER)
++  # set(CLANGXX "${CLANGXX_EXECUTABLE}")
++  set(CLANGXX "${CMAKE_CXX_COMPILER}")
++  message(STATUS "Using CLANGXX_EXECUTABLE: ${CLANGXX}")
++else()
++  find_program_or_die( CLANGXX "clang++" "clang++ binary")
++endif()
+ execute_process(COMMAND "${CLANGXX}" "--version" OUTPUT_VARIABLE LLVM_CLANGXX_VERSION RESULT_VARIABLE CLANGXX_RES)
++
+ if(CLANGXX_RES OR CLANG_RES)
+   message(FATAL_ERROR "Failed running clang/clang++ --version")
+ endif()
+-- 
+2.45.1
+

pkgs/pocl/default.nix

@@ -0,0 +1,255 @@
+{
+  lib,
+  llvmPackages,
+  ninja,
+  cmake,
+  hwloc,
+  ocl-icd,
+  opencl-headers,
+  getconf,
+  pkg-config,
+  spirv-llvm-translator,
+  spirv-tools,
+  libxml2, # required for statically linked llvm
+  python3,
+  writableTmpDirAsHomeHook,
+  writeText,
+  runCommand,
+  opencl-cts,
+
+  fetchFromGitHub,
+
+  useGit ? false,
+  gitUrl ? "git@gitlab-internal.bsc.es:task-awareness/pocl/pocl.git",
+  gitBranch ? "new-device",
+  gitCommit ? "dd10c2221b31223cbb796182df6a07f11c7541f5",
+
+  staticLLVM ? true,
+  enableICD ? true,
+  enableSPIRV ? true,
+  enableHWLOC ? true,
+  enableRemoteServer ? false,
+  enableRemoteClient ? false,
+  enableDistroVariants ? false,
+
+  lttng-ust,
+  enableLTTNG ? false,
+
+  onetbb,
+  enableTBB ? false,
+
+  nosv ? null,
+  ovni ? null,
+  enableNOSV ? useGit,
+  enableOVNI ? useGit,
+
+  buildPackages,
+  targetPackages,
+  nix-update-script,
+}:
+
+assert (enableNOSV || enableOVNI) -> useGit;
+
+let
+
+  release = rec {
+    version = "7.1";
+    src = fetchFromGitHub {
+      owner = "pocl";
+      repo = "pocl";
+      tag = "v${version}";
+      hash = "sha256-bS6vTIjLO7YLs7qYLKW0cYYbEJ/hRS/+IjjAKbkj8ac=";
+    };
+  };
+
+  git = rec {
+    version = src.shortRev;
+    src = builtins.fetchGit {
+      url = gitUrl;
+      ref = gitBranch;
+      rev = gitCommit;
+    };
+  };
+
+  source = if (useGit) then git else release;
+
+  stdenv = llvmPackages.stdenv;
+
+  buildLlvmPackages = buildPackages.llvmPackages;
+
+  isCross = stdenv.hostPlatform != stdenv.buildPlatform;
+
+  featureList = lib.concatStringsSep "+" (
+    (lib.optionals enableICD [ "icd" ])
+    ++ (lib.optionals enableNOSV [ "nosv" ])
+    ++ (lib.optionals enableOVNI [ "ovni" ])
+    ++ (lib.optionals enableSPIRV [ "spirv" ])
+    ++ (lib.optionals enableTBB [ "tbb" ])
+    ++ (lib.optionals enableRemoteClient [ "server" ])
+    ++ (lib.optionals enableRemoteServer [ "client" ])
+  );
+in
+
+stdenv.mkDerivation (finalAttrs: {
+  pname = "pocl";
+  version = featureList + "-" + source.version;
+  inherit (source) src;
+
+  patches = lib.optionals useGit [
+    ./0001-cmake-use-clang-from-cmake-variable.patch
+    ./0001-cmake-do-not-use-suffix.patch
+    ./0001-cmake-native-build-tools.patch
+  ];
+
+  cmakeFlags = [
+    # TODO: all these are broken when cross compiling. Upstream has refactored
+    # all the cmake infra for cross compilation, but it's not in a release yet
+    (lib.cmakeOptionType "filepath" "WITH_LLVM_CONFIG" (
+      lib.getExe' buildLlvmPackages.llvm.dev "llvm-config"
+    ))
+    (lib.cmakeOptionType "filepath" "CLANG" (lib.getExe' buildLlvmPackages.clangUseLLVM "clang"))
+    (lib.cmakeOptionType "filepath" "CLANGXX" (lib.getExe' buildLlvmPackages.clangUseLLVM "clang++"))
+    (lib.cmakeOptionType "path" "CLANG_RESOURCE_DIR" "${llvmPackages.stdenv.cc}/resource-root")
+
+    (lib.cmakeBool "ENABLE_TESTS" finalAttrs.finalPackage.doCheck)
+
+    (lib.cmakeBool "ENABLE_RELOCATION" true)
+    (lib.cmakeBool "ENABLE_POCL_BUILDING" true)
+    (lib.cmakeBool "POCL_ICD_ABSOLUTE_PATH" true)
+
+    (lib.cmakeBool "ENABLE_TBB_DEVICE" enableTBB)
+    (lib.cmakeBool "ENABLE_ICD" enableICD)
+    (lib.cmakeBool "ENABLE_HWLOC" enableHWLOC)
+    (lib.cmakeBool "ENABLE_LTTNG" enableLTTNG)
+
+    (lib.cmakeBool "ENABLE_REMOTE_CLIENT" enableRemoteClient)
+    (lib.cmakeBool "ENABLE_REMOTE_SERVER" enableRemoteServer)
+
+    # avoid the runtime linker pulling in a different llvm e.g. from graphics drivers
+    (lib.cmakeBool "STATIC_LLVM" staticLLVM)
+  ]
+  ++ lib.optionals (enableNOSV || enableOVNI) [
+    (lib.cmakeBool "ENABLE_NOSV" enableNOSV)
+    (lib.cmakeBool "ENABLE_OVNI" enableOVNI)
+  ]
+  ++ lib.optionals (!isCross && enableDistroVariants) [
+    (lib.cmakeFeature "KERNELLIB_HOST_CPU_VARIANTS" "distro") # TODO: check if we can do it when cross compiling
+  ]
+  ++ lib.optionals isCross [
+    (lib.cmakeFeature "CMAKE_SYSTEM_NAME" "Linux")
+    (lib.cmakeFeature "CMAKE_FIND_ROOT_PATH_MODE_PROGRAM" "NEVER")
+    (lib.cmakeFeature "CMAKE_FIND_ROOT_PATH_MODE_LIBRARY" "ONLY")
+    (lib.cmakeFeature "CMAKE_FIND_ROOT_PATH_MODE_INCLUDE" "ONLY")
+    (lib.cmakeFeature "CMAKE_FIND_ROOT_PATH_MODE_PACKAGE" "ONLY")
+  ]
+  ++ lib.optionals stdenv.hostPlatform.isRiscV [
+    (lib.cmakeFeature "LLC_TRIPLE" "riscv64-unknown-linux-gnu")
+    (lib.cmakeFeature "LLC_HOST_CPU" "rv64g")
+    (lib.cmakeFeature "CLANG_MARCH_FLAG" "-march=")
+  ];
+
+  # Fixes error: ld: cannot find -lgcc / -lgcc_s when linking from libpocl on
+  # host
+  preConfigure = ''
+    cmakeFlagsArray+=(
+      -DEXTRA_HOST_LD_FLAGS="${lib.escapeShellArg (builtins.readFile "${targetPackages.stdenv.cc}/nix-support/cc-ldflags")}"
+      -DEXTRA_KERNEL_FLAGS="${lib.escapeShellArg (builtins.readFile "${targetPackages.stdenv.cc}/nix-support/cc-ldflags")}"
+    )
+  '';
+
+  nativeBuildInputs = [
+    cmake
+    getconf
+    ninja
+    pkg-config
+    python3
+  ];
+
+  buildInputs = [
+    opencl-headers
+    llvmPackages.libclang
+    llvmPackages.llvm
+  ]
+  ++ lib.optionals staticLLVM [ libxml2 ]
+  ++ lib.optionals enableNOSV [ nosv ]
+  ++ lib.optionals enableOVNI [ ovni ]
+  ++ lib.optionals enableHWLOC [ hwloc ]
+  ++ lib.optionals enableTBB [ onetbb ]
+  ++ lib.optionals enableICD [ ocl-icd ]
+  ++ lib.optionals enableLTTNG [ lttng-ust ]
+  ++ lib.optionals enableSPIRV [
+    (spirv-llvm-translator.override { inherit (llvmPackages) llvm; })
+    spirv-tools
+  ];
+
+  nativeInstallCheckInputs = [
+    writableTmpDirAsHomeHook # needed for POCL_CACHE_DIR
+  ];
+
+  doInstallCheck = true;
+
+  installCheckPhase = lib.optionalString enableICD ''
+    runHook preInstallCheck
+
+    export OCL_ICD_VENDORS=$out/etc/OpenCL/vendors
+    $out/bin/poclcc -o poclcc.cl.pocl $src/examples/poclcc/poclcc.cl
+
+    runHook postInstallCheck
+  '';
+
+  setupHook = lib.optionalDrvAttr enableICD (
+    writeText "setup-hook" ''
+      addToSearchPath OCL_ICD_VENDORS @out@/etc/OpenCL/vendors
+    ''
+  );
+
+  passthru =
+    let
+      self = finalAttrs.finalPackage;
+    in
+    {
+      updateScript = nix-update-script { };
+      git = self.override { useGit = true; };
+
+      withICD = enableICD;
+
+      test = {
+        # Run builtin tests (causes a rebuild)
+        self = self.overrideAttrs { doCheck = true; };
+
+        # Run basic test from Khronos OpenCL Conformance Test Suite
+        # WARN: despite its name, test_basic is very exhaustive, and can take more
+        # than 1 hour in a marenostrum5 node.
+        cts =
+          assert enableICD;
+          lib.genAttrs [ "api" "basic" "c11_atomics" "printf" "svm" ] (
+            name:
+            runCommand "pocl-cts-test_${name}" {
+              nativeBuildInputs = [ self ];
+              requiredSystemFeatures = [ "sys-devices" ];
+              env = {
+                POCL_DEBUG = "error,warn";
+                POCL_CACHE_DIR = "/build/pocl_cache";
+              };
+            } "${opencl-cts}/bin/Release/test_${name} | tee $out"
+          );
+      };
+    };
+
+  env.HWLOC_SYNTHETIC = lib.optionalDrvAttr enableHWLOC "node:1 core:1 pu:1";
+
+  propagatedBuildInputs = [ stdenv.cc.cc ];
+
+  meta = with lib; {
+    description = "A portable open source (MIT-licensed) implementation of the OpenCL standard";
+    homepage = "http://portablecl.org";
+    license = licenses.mit;
+    maintainers = with maintainers; [
+      leixb
+      jansol
+      xddxdd
+      bsc.maintainers.leixb
+    ];
+    platforms = platforms.linux ++ platforms.darwin;
+  };
+})

pkgs/rodinia/default.nix

@@ -0,0 +1,58 @@
+{
+  stdenv,
+  lib,
+  fetchurl,
+  ocl-icd,
+  opencl-headers,
+}:
+
+stdenv.mkDerivation {
+  pname = "rodinia-opencl";
+  version = "3.1";
+  src = fetchurl {
+    url = "http://www.cs.virginia.edu/~skadron/lava/Rodinia/Packages/rodinia_3.1.tar.bz2";
+    hash = "sha256-+uusfBHtj4/Pa/LX6FwwhvwtEfciBNbfwo3FsujyrP0=";
+  };
+
+  patches = [
+    ./rodinia-fixes.patch
+    ./rodinia-rm.patch
+  ];
+  buildInputs = [
+    opencl-headers
+    ocl-icd
+  ];
+  buildFlags = [
+    "OPENCL"
+    "--always-make"
+  ];
+
+  preBuild = ''
+    mkdir -p bin/linux/{cuda,omp,opencl}
+  '';
+
+  installPhase = ''
+    runHook preInstall
+
+    mkdir -p $out/share
+    cp -r bin data opencl $out
+    cp LICENSE README $out/share
+
+    runHook postInstall
+  '';
+
+  meta = {
+    homepage = "https://rodinia.cs.virginia.edu/";
+    description = "Test Suite of Compute-Intensive Applications with Accelerators";
+    maintainers = with lib.maintainers.bsc; [ abonerib ];
+    platforms = lib.platforms.linux;
+    license = {
+      deprecated = false;
+      free = false;
+      fullName = "Rodinia License";
+      redistributable = true;
+      shortName = "rodinia";
+      url = "https://www.cs.virginia.edu/~skadron/lava/rodinia/license.htm";
+    };
+  };
+}

pkgs/tacuda/default.nix

@@ -0,0 +1,72 @@
+{
+  backendStdenv,
+  fetchFromGitHub,
+  automake,
+  autoconf,
+  libtool,
+  gnumake,
+  autoreconfHook,
+  boost,
+  cudatoolkit,
+  libcublas,
+  cuda_cudart,
+
+  useGit ? false,
+  gitUrl ? "git@gitlab-internal.bsc.es:task-awareness/tacuda/tacuda.git",
+  gitBranch ? "main",
+  gitCommit ? "35234f9445e6149a2bd38d119841e2485d6ee05e",
+}:
+
+let
+
+  release_ver = "2.1.0";
+  release = {
+    version = release_ver;
+    src = fetchFromGitHub {
+      owner = "bsc-pm";
+      repo = "tacuda";
+      rev = release_ver;
+      hash = "sha256-Cj3EiLVJSLvRv0ydeg7Vp4SpkniEqHkcWF+YOJQ8EcM=";
+    };
+  };
+
+  git = rec {
+    version = src.shortRev;
+    src = builtins.fetchGit {
+      url = gitUrl;
+      ref = gitBranch;
+      rev = gitCommit;
+    };
+  };
+
+  source = if (useGit) then git else release;
+
+in
+
+backendStdenv.mkDerivation {
+  pname = "tacuda";
+  inherit (source) src version;
+
+  enableParallelBuilding = true;
+  separateDebugInfo = true;
+  strictDeps = true;
+
+  nativeBuildInputs = [
+    autoreconfHook
+    automake
+    autoconf
+    libtool
+    gnumake
+  ];
+
+  patches = [ ./fix_config.patch ];
+
+  configureFlags = [ "--with-cuda-include=${cudatoolkit}/include" ];
+
+  buildInputs = [
+    boost
+    libcublas
+    cuda_cudart
+  ];
+
+}

pkgs/tacuda/fix_config.patch

@@ -0,0 +1,13 @@
+diff --git a/m4/cuda.m4 b/m4/cuda.m4
+index 23f5c94..8f9b534 100644
+--- a/m4/cuda.m4
++++ b/m4/cuda.m4
+@@ -40,7 +40,7 @@ search_libs="cuda cublas cudart"
+ required_libs=""
+ 
+ m4_foreach([function],
+-           [cuInit,
++           [
+ 	    cublasSgemm,
+             cudaStreamCreate,
+             cudaLaunchKernel,

pkgs/taopencl/default.nix

@@ -0,0 +1,48 @@
+{
+  stdenv,
+  automake,
+  autoconf,
+  libtool,
+  gnumake,
+  boost,
+  mpi,
+  autoreconfHook,
+  ocl-icd,
+  opencl-headers,
+}:
+
+stdenv.mkDerivation (finalAttrs: {
+  pname = "taopencl";
+  version = finalAttrs.src.shortRev;
+
+  src = builtins.fetchGit {
+    url = "git@gitlab-internal.bsc.es:task-awareness/taopencl/taopencl.git";
+    ref = "master";
+    rev = "c3b7b32ae8fa4af7ceff598532a881f8f1490aaf";
+  };
+
+  enableParallelBuilding = true;
+  separateDebugInfo = true;
+  strictDeps = true;
+
+  configureFlags = [
+    "--with-opencl-lib=${ocl-icd}/lib"
+    "--with-opencl-include=${opencl-headers}/include"
+  ];
+
+  nativeBuildInputs = [
+    autoreconfHook
+    automake
+    autoconf
+    libtool
+    gnumake
+  ];
+
+  buildInputs = [
+    boost
+    mpi
+  ];
+
+  dontDisableStatic = true;
+  hardeningDisable = [ "all" ];
+})

pkgs/tasycl/default.nix

@@ -0,0 +1,87 @@
+{
+  lib,
+  stdenv,
+  autoconf,
+  automake,
+  autoreconfHook,
+  boost,
+  fetchFromGitHub,
+  gnumake,
+  libtool,
+  withCFlags,
+
+  useIntel ? true,
+  adaptivecpp ? null,
+  intelPackages ? null,
+
+  useGit ? false,
+  gitUrl ? "git@gitlab-internal.bsc.es:task-awareness/tasycl/tasycl.git",
+  gitBranch ? "main",
+  gitCommit ? "78f98dcf60a66e0eaa3b4ebcf55be076bec64825",
+}:
+
+assert !useIntel -> adaptivecpp != null;
+assert useIntel -> intelPackages != null;
+
+let
+  variant = if useIntel then "intel" else "acpp";
+
+  syclStdenv = withCFlags [ "-O3" ] (if useIntel then intelPackages.stdenv else stdenv);
+
+  release = rec {
+    version = "2.1.0";
+    src = fetchFromGitHub {
+      owner = "bsc-pm";
+      repo = "tasycl";
+      rev = version;
+      hash = "sha256-0kXnb0lHeQNHR27GTLbJ8xbiICLU8k2+FqEnnFSrzzo=";
+    };
+  };
+
+  git = rec {
+    version = src.shortRev;
+    src = builtins.fetchGit {
+      url = gitUrl;
+      ref = gitBranch;
+      rev = gitCommit;
+    };
+  };
+
+  source = if (useGit) then git else release;
+
+in
+
+syclStdenv.mkDerivation {
+  pname = "tasycl-${variant}";
+  inherit (source) src version;
+
+  enableParallelBuilding = true;
+  separateDebugInfo = true;
+
+  nativeBuildInputs = [
+    autoreconfHook
+    automake
+    autoconf
+    libtool
+    gnumake
+  ];
+
+  buildInputs = [
+    boost
+  ];
+
+  configureFlags = lib.optionals (!useIntel) [
+    "CXX=${lib.getExe adaptivecpp}"
+  ];
+
+  # add symlinks so we can explicitly link with tasycl-intel / tasycl-acpp
+  postInstall = ''
+    pushd $out/lib
+    for i in libtasycl* ; do
+      ln -s "$i" "''\${i/tasycl/tasycl-${variant}}"
+    done
+    popd
+  '';
+
+  hardeningDisable = [ "all" ];
+}

pkgs/unified-runtime/default.nix

@@ -0,0 +1,63 @@
+{
+  lib,
+  stdenv,
+  fetchFromGitHub,
+  cmake,
+  python3,
+  cudatoolkit,
+  libbacktrace,
+  intel-compute-runtime,
+  level-zero,
+  unified-memory-framework,
+  autoAddDriverRunpath,
+
+  enableL0 ? false,
+}:
+
+stdenv.mkDerivation rec {
+  pname = "unified-runtime";
+  version = "2025-WW45";
+
+  src = fetchFromGitHub {
+    owner = "intel";
+    repo = "llvm";
+    tag = version;
+    sha256 = "sha256-yf8pFEeNEWf9LpEhAy4vMdFDlA08x5XaCegnq+5aXRw=";
+  };
+
+  sourceRoot = "${src.name}/unified-runtime";
+
+  nativeBuildInputs = [
+    cmake
+    python3
+    libbacktrace
+    (python3.withPackages (
+      python-pkgs: with python-pkgs; [
+        lit
+        filecheck
+      ]
+    ))
+    autoAddDriverRunpath
+  ];
+
+  buildInputs = [
+    unified-memory-framework
+    cudatoolkit
+  ]
+  ++ lib.optionals enableL0 [
+    intel-compute-runtime
+    level-zero
+  ];
+
+  cmakeFlags = [
+    (lib.cmakeBool "UR_USE_EXTERNAL_UMF" true)
+    (lib.cmakeBool "UR_BUILD_TESTS" false)
+
+    (lib.cmakeBool "UR_BUILD_ADAPTER_CUDA" true)
+    (lib.cmakeBool "UR_BUILD_ADAPTER_L0" enableL0)
+
+    (lib.cmakeBool "UR_BUILD_ADAPTER_OPENCL" false)
+    (lib.cmakeBool "UR_BUILD_ADAPTER_HIP" false)
+    (lib.cmakeBool "UR_BUILD_ADAPTER_NATIVE_CPU" false)
+  ];
+}

test/compilers/hello-sycl.nix

@@ -0,0 +1,91 @@
+{
+  intelPackages,
+  writeText,
+  strace,
+  pocl,
+}:
+
+let
+  stdenv = intelPackages.stdenv;
+  hello_sycl = writeText "hello.cpp" ''
+    #include <sycl/sycl.hpp>
+
+    class hello_world;
+
+    int main(int argc, char** argv) try {
+        auto device_selector = sycl::default_selector_v;
+
+        sycl::queue queue(device_selector);
+
+        std::cout << "Running on: "
+                  << queue.get_device().get_info<sycl::info::device::name>()
+                  << std::endl;
+
+        queue.submit([&] (sycl::handler& cgh) {
+            auto os = sycl::stream{128, 128, cgh};
+            cgh.single_task<hello_world>([=]() {
+                os << "Hello World! (on device)\n";
+            });
+        });
+
+        return 0;
+    } catch (sycl::exception &e) {
+        std::cout << "SYCL exception: " << e.what() << std::endl;
+        return 0; // we expect to fail since no devices should be available;
+    }
+  '';
+in
+
+stdenv.mkDerivation (finalAttrs: {
+  version = "0.0.1";
+  name = "hello-sycl";
+  nativeBuildInputs = [
+    stdenv
+    strace
+  ];
+  src = hello_sycl;
+  dontUnpack = true;
+  dontConfigure = true;
+  NIX_DEBUG = 0;
+  buildPhase = ''
+    cp $src hello.cpp
+    set -x
+    echo CXX=$CXX
+    command -v $CXX
+    $CXX -fsycl hello.cpp -o hello
+    ./hello | tee test-output
+    set +x
+  '';
+
+  installPhase = ''
+    cp test-output $out
+  '';
+
+  passthru = {
+    withPocl = finalAttrs.finalPackage.overrideAttrs (old: {
+      nativeBuildInputs = old.nativeBuildInputs ++ [ pocl ];
+      env = (old.env or { }) // {
+        POCL_DEBUG = "error,warn";
+        POCL_CACHE_DIR = "/build/pocl_cache";
+
+        # Make PoCL report Intel vendor id so oneapi SYCL works
+        POCL_DRIVER_VERSION_OVERRIDE = "2024.18.6.0.02_160000";
+        POCL_CPU_VENDOR_ID_OVERRIDE = 32902;
+      };
+      doInstallCheck = true;
+      installCheckPhase = ''
+        grep "Hello World! (on device)" $out
+      '';
+    });
+    withIntel = finalAttrs.finalPackage.overrideAttrs (old: {
+      env = (old.env or { }) // {
+        OCL_ICD_VENDORS = intelPackages.compiler + "/etc/OpenCL/vendors";
+      };
+      doInstallCheck = true;
+      installCheckPhase = ''
+        grep "Hello World! (on device)" $out
+      '';
+
+    });
+  };
+})

test/compilers/icpx-ompss2.nix

@@ -0,0 +1,110 @@
+{
+  writeText,
+  intelPackages,
+  nodes,
+  nosv,
+  clangOmpss2Nodes,
+  strace,
+  pocl,
+}:
+
+let
+  hello_cpp = writeText "hello.cpp" ''
+    #include <cstdio>
+    #include <sycl/sycl.hpp>
+
+    int main(int argc, char** argv) try {
+        sycl::queue queue;
+
+        std::cout << "Running on: "
+                  << queue.get_device().get_info<sycl::info::device::name>()
+                  << std::endl;
+
+        #pragma oss task
+        queue.submit([&] (sycl::handler& cgh) {
+            auto os = sycl::stream{128, 128, cgh};
+            cgh.single_task<class hello_world>([=]() {
+                os << "Hello World! (on device)\n";
+            });
+        }).wait();
+
+        return 0;
+    } catch (sycl::exception &e) {
+        std::cout << "SYCL exception: " << e.what() << std::endl;
+        return 0; // we expect to fail since no devices should be available;
+    }
+
+  '';
+in
+
+intelPackages.stdenv.mkDerivation (finalAttrs: {
+  version = "0.0.1";
+  name = "hello-syclompss";
+
+  src = hello_cpp;
+
+  nativeBuildInputs = [
+    strace
+    nodes
+    nosv
+  ];
+
+  passthru = {
+    withPocl = finalAttrs.finalPackage.overrideAttrs (old: {
+      nativeBuildInputs = old.nativeBuildInputs ++ [ pocl ];
+      env = (old.env or { }) // {
+        POCL_DEBUG = "error,warn";
+        POCL_CACHE_DIR = "/build/pocl_cache";
+
+        # Make PoCL report Intel vendor id so oneapi SYCL works
+        POCL_DRIVER_VERSION_OVERRIDE = "2024.18.6.0.02_160000";
+        POCL_CPU_VENDOR_ID_OVERRIDE = 32902;
+      };
+      doInstallCheck = true;
+      installCheckPhase = ''
+        grep "Hello World! (on device)" $out
+      '';
+    });
+
+    withIntel = finalAttrs.finalPackage.overrideAttrs (old: {
+      env = (old.env or { }) // {
+        OCL_ICD_VENDORS = intelPackages.compiler + "/etc/OpenCL/vendors";
+      };
+      doInstallCheck = true;
+      installCheckPhase = ''
+        grep "Hello World! (on device)" $out
+      '';
+    });
+  };
+
+  dontUnpack = true;
+  dontConfigure = true;
+
+  # NODES requires access to /sys/devices to request NUMA information
+  requiredSystemFeatures = [ "sys-devices" ];
+
+  env.NODES_HOME = nodes;
+
+  NIX_DEBUG = 1;
+  buildPhase = ''
+    cp $src hello.cpp
+    set -x
+    echo CXX=$CXX
+    echo NODES_HOME=$NODES_HOME
+    command -v $CXX
+
+    icpx -Wno-deprecated-declarations -fsycl \
+        -fsycl-host-compiler=${clangOmpss2Nodes.forIcpx}/bin/clang++ \
+        -fsycl-host-compiler-options='-Wno-deprecated-declarations -fompss-2=libnodes' \
+        -lnodes -lnosv \
+        $NODES_HOME/lib/nodes-main-wrapper.o \
+        hello.cpp -o hello
+
+    ./hello | tee test-output
+    set +x
+  '';
+
+  installPhase = ''
+    cp test-output $out
+  '';
+})

test/compilers/opencl.c

@@ -0,0 +1,127 @@
+#include <CL/cl.h>
+#include <stdio.h>
+#include <stdlib.h>
+#include <string.h>
+
+#define BUF_LEN 128
+
+cl_int exit_err = CL_SUCCESS;
+
+#define CHECK(cmd)                                                             \
+  do {                                                                         \
+    cl_int err = cmd;                                                          \
+    if (err != CL_SUCCESS) {                                                   \
+      printf("[ERROR] " #cmd " (Error code: %d)\n"                             \
+             "@ "__FILE__                                                      \
+             ":%d",                                                            \
+             err, __LINE__);                                                   \
+      exit_err = err;                                                          \
+      goto cleanup;                                                            \
+    }                                                                          \
+  } while (0)
+
+const char *kernel_source = "__kernel void vector_add(__global const float *a, "
+                            "__global const float *b, __global float *c) {\n"
+                            "    int gid = get_global_id(0);\n"
+                            "    c[gid] = a[gid] + b[gid];\n"
+                            "}\n";
+
+cl_int test_kernel_compilation(cl_platform_id platform) {
+  cl_device_id device = NULL;
+  cl_context context = NULL;
+  cl_program program = NULL;
+  cl_int err = CL_SUCCESS;
+  char device_name[BUF_LEN];
+
+  // Get first device for this platform
+  CHECK(clGetDeviceIDs(platform, CL_DEVICE_TYPE_ALL, 1, &device, NULL));
+
+  // Get device name
+  CHECK(clGetDeviceInfo(device, CL_DEVICE_NAME, sizeof(device_name),
+                        device_name, NULL));
+  printf("    Device: %s\n", device_name);
+
+  context = clCreateContext(NULL, 1, &device, NULL, NULL, &err);
+  CHECK(err);
+
+  program = clCreateProgramWithSource(context, 1, &kernel_source, NULL, &err);
+  CHECK(err);
+
+  err = clBuildProgram(program, 1, &device, NULL, NULL, NULL);
+  if (err != CL_SUCCESS) {
+    printf("      [ERROR] Kernel compilation failed (Error code: %d)\n", err);
+
+    // Build log
+    size_t log_size;
+    CHECK(clGetProgramBuildInfo(program, device, CL_PROGRAM_BUILD_LOG, 0, NULL,
+                                &log_size));
+    char *log = (char *)malloc(log_size);
+    CHECK(clGetProgramBuildInfo(program, device, CL_PROGRAM_BUILD_LOG, log_size,
+                                log, NULL));
+    printf("      Build log:\n%s\n", log);
+    free(log);
+    goto cleanup;
+  }
+
+  printf("      [OK] Kernel compiled successfully!\n");
+
+cleanup:
+  if (program)
+    clReleaseProgram(program);
+  if (context)
+    clReleaseContext(context);
+  printf("\n");
+
+  return exit_err;
+}
+
+int main() {
+  cl_uint num_platforms;
+  cl_platform_id *platforms = NULL;
+
+  // Get number of platforms
+  CHECK(clGetPlatformIDs(0, NULL, &num_platforms));
+
+  printf("Found %d OpenCL platform(s)\n\n", num_platforms);
+
+  if (num_platforms == 0) {
+    printf("No OpenCL platforms found!\n");
+    return EXIT_FAILURE;
+  }
+
+  // Allocate memory for platforms
+  platforms = (cl_platform_id *)malloc(sizeof(cl_platform_id) * num_platforms);
+
+  // Get platform IDs
+  CHECK(clGetPlatformIDs(num_platforms, platforms, NULL));
+
+  // Query each platform and test kernel compilation
+  for (cl_uint i = 0; i < num_platforms; i++) {
+    char platform_name[BUF_LEN];
+    char platform_vendor[BUF_LEN];
+    char platform_version[BUF_LEN];
+
+    CHECK(clGetPlatformInfo(platforms[i], CL_PLATFORM_NAME,
+                            sizeof(platform_name), platform_name, NULL));
+    CHECK(clGetPlatformInfo(platforms[i], CL_PLATFORM_VENDOR,
+                            sizeof(platform_vendor), platform_vendor, NULL));
+    CHECK(clGetPlatformInfo(platforms[i], CL_PLATFORM_VERSION,
+                            sizeof(platform_version), platform_version, NULL));
+
+    printf("Platform %d: %s\n", i, platform_name);
+    printf("  Vendor: %s\n", platform_vendor);
+    printf("  Version: %s\n", platform_version);
+
+    // Test kernel compilation
+    CHECK(test_kernel_compilation(platforms[i]));
+  }
+
+cleanup:
+  if (platforms)
+    free(platforms);
+
+  if (exit_err == CL_SUCCESS)
+    return EXIT_SUCCESS;
+
+  return EXIT_FAILURE;
+}

test/compilers/opencl.nix

@@ -0,0 +1,104 @@
+{
+  stdenv,
+  ocl-icd,
+  opencl-headers,
+  pocl,
+  clinfo,
+  runCommand,
+  lib,
+}:
+
+stdenv.mkDerivation (finalAttrs: {
+  pname = "opencl-pocl-test";
+  version = "1.0.0";
+
+  src = ./opencl.c;
+
+  dontUnpack = true;
+  dontConfigure = true;
+
+  buildInputs = [
+    ocl-icd
+    opencl-headers
+  ];
+
+  buildPhase = ''
+    runHook preBuild
+
+    $CC -Wall -Wextra -D CL_TARGET_OPENCL_VERSION=100 $src -o ocl-hello -lOpenCL
+
+    runHook postBuild
+  '';
+
+  installPhase = ''
+    runHook preInstall
+
+    mkdir -p $out/bin
+    cp ocl-hello $out/bin
+
+    runHook postInstall
+  '';
+
+  passthru = {
+    test-icd =
+      runCommand "custom-clinfo"
+        {
+          nativeBuildInputs =
+            assert !(lib.hasPrefix "pocl" ocl-icd.pname);
+            [
+              clinfo
+              finalAttrs.finalPackage
+              pocl
+            ];
+
+          env = {
+            POCL_DEBUG = "error,warn";
+            POCL_CACHE_DIR = "/build/pocl_cache";
+          };
+
+          requiredSystemFeatures = [ "sys-devices" ];
+        }
+
+        ''
+          set -x
+
+          mkdir $out
+
+          clinfo -l >$out/clinfo
+          clinfo >$out/clinfo-full
+
+          ocl-hello >$out/hello
+
+          for i in $out/*; do
+            grep "Portable Computing Language" $i
+          done
+
+          echo $OCL_ICD_VENDORS >$out/env
+
+          grep "pocl.*/etc/OpenCL/vendors" $out/env
+
+          set +x
+        '';
+    # this needs: ocl-icd = pocl-noicd
+    test-noicd =
+      runCommand "custom-clinfo"
+        {
+          nativeBuildInputs = [
+            finalAttrs.finalPackage
+          ];
+
+          env = {
+            POCL_DEBUG = "error,warn";
+            POCL_CACHE_DIR = "/build/pocl_cache";
+          };
+
+          requiredSystemFeatures = [ "sys-devices" ];
+        }
+
+        ''
+          ocl-hello >$out
+
+          grep "Portable Computing Language" $out
+        '';
+  };
+})

test/compilers/pocl.nix

@@ -0,0 +1,27 @@
+{
+  runCommand,
+  pocl,
+  clinfo,
+}:
+
+runCommand "clinfo-pocl"
+  {
+    nativeBuildInputs = [
+      clinfo
+      pocl
+    ];
+
+    requiredSystemFeatures = [ "sys-devices" ];
+
+    env = {
+      POCL_DEBUG = "error,warn";
+      POCL_CACHE_DIR = "/build/pocl_cache";
+    };
+  }
+  ''
+    echo $OCL_ICD_VENDORS
+    clinfo >$out
+
+    # check that we have PoCL:
+    grep "Portable Computing Language" $out
+  ''

test/compilers/sycl-ls.nix

@@ -0,0 +1,40 @@
+{
+  intelPackages,
+  pocl,
+  runCommandWith,
+  symlinkJoin,
+  clinfo,
+}:
+
+runCommandWith
+  {
+    name = "sycl-ls";
+    inherit (intelPackages) stdenv;
+    runLocal = true;
+    derivationArgs = {
+      nativeBuildInputs = [ clinfo ];
+      env = {
+        OCL_ICD_VENDORS = symlinkJoin {
+          name = "vendors";
+          paths = builtins.map (p: p + "/etc/OpenCL/vendors") [
+            intelPackages.compiler
+            pocl
+          ];
+        };
+
+        POCL_DRIVER_VERSION_OVERRIDE = "2024.18.6.0.02_160000";
+        POCL_CPU_VENDOR_ID_OVERRIDE = 32902;
+        POCL_DEBUG = "error,warn";
+        POCL_CACHE_DIR = "/build/pocl_cache";
+
+        HWLOC_SYNTHETIC = "node:1 core:1 pu:1";
+      };
+    };
+  }
+  # bash
+  ''
+    clinfo -l | tee -a $out
+    sycl-ls | tee -a $out
+
+    test x6 = x"$(cat $out | wc -l)" # 2 lines per clinfo entry and 1 per sycl-ls
+  ''