Use POCL_CACHE_DIR instead of writableHome...Hook

overlay.nix

@@ -64,16 +64,7 @@ let
     tagaspi = callPackage ./pkgs/tagaspi/default.nix { };
     tampi = callPackage ./pkgs/tampi/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 { };
-
-    gromacs = callPackage ./pkgs/gromacs/default.nix { enableSYCL = true; };
-
-    _cuda = prev._cuda.extend (_: _prev: final.lib.recursiveUpdate _prev {
-      extensions = _prev.extensions ++ [(finalAttrs: _: {
-        tacuda = finalAttrs.callPackage ./pkgs/tacuda/default.nix { };
-      })];
-    });
   };
 
   tests = rec {

pkgs/gromacs/default.nix

@@ -1,190 +0,0 @@
-{
-  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

@@ -1,24 +0,0 @@
-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

@@ -1,36 +0,0 @@
-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/pocl/default.nix

@@ -14,8 +14,6 @@
   python3,
   writableTmpDirAsHomeHook,
   writeText,
-  runCommand,
-  opencl-cts,
 
   fetchFromGitHub,
 
@@ -203,38 +201,12 @@ stdenv.mkDerivation (finalAttrs: {
     ''
   );
 
-  passthru =
+  passthru = {
-    let
+    updateScript = nix-update-script { };
-      self = finalAttrs.finalPackage;
+    git = finalAttrs.finalPackage.override { useGit = true; };
-    in
+    test = finalAttrs.finalPackage.overrideAttrs { doCheck = true; };
-    {
+    withICD = enableICD;
-      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";
 

pkgs/tacuda/default.nix

@@ -1,72 +0,0 @@
-{
-  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

@@ -1,13 +0,0 @@
-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

@@ -1,46 +0,0 @@
-{
-  stdenv,
-  automake,
-  autoconf,
-  libtool,
-  gnumake,
-  boost,
-  mpi,
-  gcc,
-  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;
-
-  configureFlags = [
-    "--with-opencl-lib=${ocl-icd}/lib"
-    "--with-opencl-include=${opencl-headers}/include"
-  ];
-
-  buildInputs = [
-    autoreconfHook
-    automake
-    autoconf
-    libtool
-    gnumake
-    boost
-    mpi
-    gcc
-  ];
-
-  dontDisableStatic = true;
-  hardeningDisable = [ "all" ];
-})

test/compilers/opencl-run.nix

@@ -0,0 +1,31 @@
+{
+  stdenv,
+  clang-ompss2,
+  nanos6,
+}:
+
+stdenv.mkDerivation {
+  version = "0.0.1";
+  name = "test-clang-ompss2";
+  src = ./.;
+  buildInputs = [
+    clang-ompss2
+    nanos6
+  ];
+
+  env = {
+    # NIX_DEBUG = 1;
+    OCL_ICD_VENDORS = "";
+  };
+
+  buildPhase = ''
+    clang -fompss-2 hello.c -o hello
+    ./hello
+    clang++ -fompss-2 hello.cc -o hello
+    ./hello
+  '';
+
+  installPhase = ''
+    mkdir -p $out
+  '';
+}