Add passthru in ompss2 wrapper for icpx compat

When using `icpx -fsycl -fsycl-host-compiler=clang++`, the inner
compiler will use the flags set in the icpx wrapper and it will break.

flake.lock

@@ -2,16 +2,16 @@
   "nodes": {
     "nixpkgs": {
       "locked": {
-        "lastModified": 1752436162,
-        "narHash": "sha256-Kt1UIPi7kZqkSc5HVj6UY5YLHHEzPBkgpNUByuyxtlw=",
+        "lastModified": 1767634882,
+        "narHash": "sha256-2GffSfQxe3sedHzK+sTKlYo/NTIAGzbFCIsNMUPAAnk=",
         "owner": "NixOS",
         "repo": "nixpkgs",
-        "rev": "dfcd5b901dbab46c9c6e80b265648481aafb01f8",
+        "rev": "3c9db02515ef1d9b6b709fc60ba9a540957f661c",
         "type": "github"
       },
       "original": {
         "owner": "NixOS",
-        "ref": "nixos-25.05",
+        "ref": "nixos-25.11",
         "repo": "nixpkgs",
         "type": "github"
       }

flake.nix

@@ -1,6 +1,6 @@
 {
   inputs = {
-    nixpkgs.url = "github:NixOS/nixpkgs/nixos-25.05";
+    nixpkgs.url = "github:NixOS/nixpkgs/nixos-25.11";
   };
 
   outputs = { self, nixpkgs, ... }:

m/apex/configuration.nix

@@ -57,6 +57,18 @@
     };
   };
 
+  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.ibp5s0.ipv4.addresses = [ {
+    interfaces.ibs785.ipv4.addresses = [ {
       address = "10.0.42.40";
       prefixLength = 24;
     } ];

m/common/base/env.nix

@@ -1,12 +1,12 @@
-{ pkgs, config, ... }:
+{ pkgs, ... }:
 
 {
   environment.systemPackages = with pkgs; [
     vim wget git htop tmux pciutils tcpdump ripgrep nix-index nixos-option
     nix-diff ipmitool freeipmi ethtool lm_sensors cmake gnumake file tree
-    ncdu config.boot.kernelPackages.perf ldns pv
-    # From bsckgs overlay
-    osumb
+    ncdu perf ldns pv
+    # From jungle overlay
+    osumb nixgen
   ];
 
   programs.direnv.enable = true;

m/common/base/users.nix

@@ -139,6 +139,7 @@
         openssh.authorizedKeys.keys = [
           "ssh-ed25519 AAAAC3NzaC1lZDI1NTE5AAAAIKGt0ESYxekBiHJQowmKpfdouw0hVm3N7tUMtAaeLejK vincent@varch"
         ];
+        shell = pkgs.zsh;
       };
 
       pmartin1 = {

m/common/base/watchdog.nix

@@ -5,5 +5,5 @@
   boot.kernelModules = [ "ipmi_watchdog" ];
 
   # Enable systemd watchdog with 30 s interval
-  systemd.watchdog.runtimeTime = "30s";
+  systemd.settings.Manager.RuntimeWatchdogSec = 30;
 }

m/eudy/kernel/perf.nix

@@ -1,11 +1,6 @@
-{ config, pkgs, lib, ... }:
+{ 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/fox/configuration.nix

@@ -93,20 +93,4 @@
     wantedBy = [ "multi-user.target" ];
     serviceConfig.ExecStart = script;
   };
-
-  # Only allow SSH connections from users who have a SLURM allocation
-  # See: https://slurm.schedmd.com/pam_slurm_adopt.html
-  security.pam.services.sshd.rules.account.slurm = {
-    control = "required";
-    enable = true;
-    modulePath = "${pkgs.slurm}/lib/security/pam_slurm_adopt.so";
-    args = [ "log_level=debug5" ];
-    order = 999999; # Make it last one
-  };
-
-  # Disable systemd session (pam_systemd.so) as it will conflict with the
-  # pam_slurm_adopt.so module. What happens is that the shell is first adopted
-  # into the slurmstepd task and then into the systemd session, which is not
-  # what we want, otherwise it will linger even if all jobs are gone.
-  security.pam.services.sshd.startSession = lib.mkForce false;
 }

m/hut/configuration.nix

@@ -45,7 +45,7 @@
       address = "10.0.40.7";
       prefixLength = 24;
     } ];
-    interfaces.ibp5s0.ipv4.addresses = [ {
+    interfaces.ibs785.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.ibp5s0.ipv4.addresses = [ {
+    interfaces.ibs785.ipv4.addresses = [ {
       address = "10.0.42.42";
       prefixLength = 24;
     } ];

m/module/debuginfod.nix

@@ -1,3 +1,10 @@
 {
-  services.nixseparatedebuginfod.enable = true;
+  services.nixseparatedebuginfod2 = {
+    enable = true;
+    substituters = [
+      "local:"
+      "https://cache.nixos.org"
+      "http://hut/cache"
+    ];
+  };
 }

m/module/slurm-client.nix

@@ -1,4 +1,4 @@
-{ lib, ... }:
+{ lib, pkgs, ... }:
 
 {
   imports = [
@@ -21,4 +21,20 @@
   };
 
   services.slurm.client.enable = true;
+
+  # Only allow SSH connections from users who have a SLURM allocation
+  # See: https://slurm.schedmd.com/pam_slurm_adopt.html
+  security.pam.services.sshd.rules.account.slurm = {
+    control = "required";
+    enable = true;
+    modulePath = "${pkgs.slurm}/lib/security/pam_slurm_adopt.so";
+    args = [ "log_level=debug5" ];
+    order = 999999; # Make it last one
+  };
+
+  # Disable systemd session (pam_systemd.so) as it will conflict with the
+  # pam_slurm_adopt.so module. What happens is that the shell is first adopted
+  # into the slurmstepd task and then into the systemd session, which is not
+  # what we want, otherwise it will linger even if all jobs are gone.
+  security.pam.services.sshd.startSession = lib.mkForce false;
 }

m/module/slurm-common.nix

@@ -1,31 +1,6 @@
 { config, pkgs, ... }:
 
-let
-  suspendProgram = pkgs.writeShellScript "suspend.sh" ''
-    exec 1>>/var/log/power_save.log 2>>/var/log/power_save.log
-    set -x
-    export "PATH=/run/current-system/sw/bin:$PATH"
-    echo "$(date) Suspend invoked $0 $*" >> /var/log/power_save.log
-    hosts=$(scontrol show hostnames $1)
-    for host in $hosts; do
-      echo Shutting down host: $host
-      ipmitool -I lanplus -H ''${host}-ipmi -P "" -U "" chassis power off
-    done
-  '';
-
-  resumeProgram = pkgs.writeShellScript "resume.sh" ''
-    exec 1>>/var/log/power_save.log 2>>/var/log/power_save.log
-    set -x
-    export "PATH=/run/current-system/sw/bin:$PATH"
-    echo "$(date) Suspend invoked $0 $*" >> /var/log/power_save.log
-    hosts=$(scontrol show hostnames $1)
-    for host in $hosts; do
-      echo Starting host: $host
-      ipmitool -I lanplus -H ''${host}-ipmi -P "" -U "" chassis power on
-    done
-  '';
-
-in {
+{
   services.slurm = {
     controlMachine = "apex";
     clusterName = "jungle";
@@ -59,16 +34,6 @@ in {
       # the resources. Use the task/cgroup plugin to enable process containment.
       TaskPlugin=task/affinity,task/cgroup
 
-      # Power off unused nodes until they are requested
-      SuspendProgram=${suspendProgram}
-      SuspendTimeout=60
-      ResumeProgram=${resumeProgram}
-      ResumeTimeout=300
-      SuspendExcNodes=fox
-
-      # Turn the nodes off after 1 hour of inactivity
-      SuspendTime=3600
-
       # Reduce port range so we can allow only this range in the firewall
       SrunPortRange=60000-61000
 

m/owl1/configuration.nix

@@ -20,7 +20,7 @@
       address = "10.0.40.1";
       prefixLength = 24;
     } ];
-    interfaces.ibp5s0.ipv4.addresses = [ {
+    interfaces.ibs785.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.ibp129s0.ipv4.addresses = [ {
+    interfaces.ibs801.ipv4.addresses = [ {
       address = "10.0.42.2";
       prefixLength = 24;
     } ];

m/tent/gitea.nix

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

overlay.nix

@@ -34,13 +34,15 @@ let
       amd-uprof-driver = _prev.callPackage ./pkgs/amd-uprof/driver.nix { };
     });
     lmbench = callPackage ./pkgs/lmbench/default.nix { };
-    mcxx = callPackage ./pkgs/mcxx/default.nix { };
+    # Broken and unmantained
+    # mcxx = callPackage ./pkgs/mcxx/default.nix { };
     meteocat-exporter = prev.callPackage ./pkgs/meteocat-exporter/default.nix { };
     mpi = final.mpich; # Set MPICH as default
     mpich = callPackage ./pkgs/mpich/default.nix { mpich = prev.mpich; };
     nanos6 = callPackage ./pkgs/nanos6/default.nix { };
     nanos6Debug = final.nanos6.override { enableDebug = true; };
     nixtools = callPackage ./pkgs/nixtools/default.nix { };
+    nixgen = callPackage ./pkgs/nixgen/default.nix { };
     # Broken because of pkgsStatic.libcap
     # See: https://github.com/NixOS/nixpkgs/pull/268791
     #nix-wrap = callPackage ./pkgs/nix-wrap/default.nix { };
@@ -68,8 +70,6 @@ let
     tasycl-acpp = callPackage ./pkgs/tasycl/default.nix { useIntel = false; };
     upc-qaire-exporter = prev.callPackage ./pkgs/upc-qaire-exporter/default.nix { };
     wxparaver = callPackage ./pkgs/paraver/default.nix { };
-
-    gromacs = callPackage ./pkgs/gromacs/default.nix { enableSYCL = true; };
   };
 
   tests = rec {
@@ -118,14 +118,16 @@ let
   pkgsTopLevel = filterAttrs (_: isDerivation) bscPkgs;
 
   # Native build in that platform doesn't imply cross build works
-  canCrossCompile = platform: pkg:
+  canCrossCompile = platform: default: pkg:
     (isDerivation pkg) &&
-    # Must be defined explicitly
-    (pkg.meta.cross or false) &&
-    (meta.availableOn platform pkg);
+    # If meta.cross is undefined, use default
+    (pkg.meta.cross or default) &&
+    (meta.availableOn final.pkgsCross.${platform}.stdenv.hostPlatform pkg);
 
   # For now only RISC-V
-  crossSet = { riscv64 = final.pkgsCross.riscv64.bsc.pkgsTopLevel; };
+  crossSet = genAttrs [ "riscv64" ] (platform:
+    filterAttrs (_: canCrossCompile platform true)
+      final.pkgsCross.${platform}.bsc.pkgsTopLevel);
 
   buildList = name: paths:
     final.runCommandLocal name { } ''
@@ -145,7 +147,7 @@ let
   # For now only RISC-V
   crossList = buildList "ci-cross"
     (filter
-      (canCrossCompile final.pkgsCross.riscv64.stdenv.hostPlatform)
+      (canCrossCompile "riscv64" false) # opt-in (pkgs with: meta.cross = true)
         (builtins.attrValues crossSet.riscv64));
 
 in bscPkgs // {

pkgs/amd-uprof/default.nix

@@ -90,7 +90,7 @@ in
     meta = {
       description = "Performance analysis tool-suite for x86 based applications";
       homepage = "https://www.amd.com/es/developer/uprof.html";
-      platforms = lib.platforms.linux;
+      platforms = [ "x86_64-linux" ];
       license = lib.licenses.unfree;
       maintainers = with lib.maintainers.bsc; [ rarias varcila ];
     };

pkgs/amd-uprof/driver.nix

@@ -19,7 +19,7 @@ in stdenv.mkDerivation {
   '';
   hardeningDisable = [ "pic" "format" ];
   nativeBuildInputs = kernel.moduleBuildDependencies;
-  patches = [ ./makefile.patch ./hrtimer.patch ];
+  patches = [ ./makefile.patch ./hrtimer.patch ./remove-wr-rdmsrq.patch ];
   makeFlags = [
     "KERNEL_VERSION=${kernel.modDirVersion}"
     "KERNEL_DIR=${kernel.dev}/lib/modules/${kernel.modDirVersion}/build"

pkgs/amd-uprof/remove-wr-rdmsrq.patch

@@ -0,0 +1,20 @@
+diff --git a/inc/PwrProfAsm.h b/inc/PwrProfAsm.h
+index d77770a..c93a0e9 100644
+--- a/inc/PwrProfAsm.h
++++ b/inc/PwrProfAsm.h
+@@ -347,6 +347,7 @@
+ 
+ #endif
+ 
++/*
+ #define rdmsrq(msr,val1,val2,val3,val4) ({ \
+         __asm__ __volatile__( \
+                               "rdmsr\n" \
+@@ -362,6 +363,7 @@
+                               :"c"(msr), "a"(val1), "d"(val2), "S"(val3), "D"(val4) \
+                             ); \
+     })
++*/
+ 
+ #define rdmsrpw(msr,val1,val2,val3,val4) ({ \
+         __asm__ __volatile__( \

pkgs/cudainfo/default.nix

@@ -1,5 +1,6 @@
 {
   stdenv
+, lib
 , cudatoolkit
 , cudaPackages
 , autoAddDriverRunpath
@@ -11,7 +12,7 @@ stdenv.mkDerivation (finalAttrs: {
   src = ./.;
   buildInputs = [
     cudatoolkit # Required for nvcc
-    cudaPackages.cuda_cudart.static # Required for -lcudart_static
+    (lib.getOutput "static" cudaPackages.cuda_cudart) # Required for -lcudart_static
     autoAddDriverRunpath
   ];
   installPhase = ''
@@ -40,4 +41,9 @@ stdenv.mkDerivation (finalAttrs: {
     '';
     installPhase = "touch $out";
   };
+
+  meta = {
+    platforms = [ "x86_64-linux" ];
+    maintainers = with lib.maintainers.bsc; [ rarias ];
+  };
 })

pkgs/gpi-2/default.nix

@@ -9,7 +9,6 @@
 , automake
 , libtool
 , mpi
-, rsync
 , gfortran
 }:
 
@@ -44,13 +43,24 @@ stdenv.mkDerivation rec {
 
   configureFlags = [
     "--with-infiniband=${rdma-core-all}"
-    "--with-mpi=${mpiAll}"
+    "--with-mpi=yes" # fixes mpi detection when cross-compiling
     "--with-slurm"
     "CFLAGS=-fPIC"
     "CXXFLAGS=-fPIC"
   ];
 
-  buildInputs = [ slurm mpiAll rdma-core-all autoconf automake libtool rsync gfortran ];
+  nativeBuildInputs = [
+    autoconf
+    automake
+    gfortran
+    libtool
+  ];
+
+  buildInputs = [
+    slurm
+    mpiAll
+    rdma-core-all
+  ];
 
   hardeningDisable = [ "all" ];
 
@@ -60,5 +70,6 @@ stdenv.mkDerivation rec {
     maintainers = with lib.maintainers.bsc; [ rarias ];
     platforms = lib.platforms.linux;
     license = lib.licenses.gpl3Plus;
+    cross = false; # infiniband detection does not work
   };
 }

pkgs/gromacs/default.nix

@@ -1,191 +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/intel-oneapi/2023.nix

@@ -10,7 +10,7 @@
 , zlib
 , autoPatchelfHook
 , libfabric
-, gcc13
+, gcc
 , wrapCCWith
 }:
 
@@ -33,8 +33,6 @@ let
     maintainers = with lib.maintainers.bsc; [ abonerib ];
   };
 
-  gcc = gcc13;
-
   v = {
     hpckit   = "2023.1.0";
     compiler = "2023.1.0";

pkgs/intel-oneapi/packages.nix

@@ -1,19 +1,46 @@
-{ lib
-, stdenv
-, callPackage
-, dpkg
-, fetchurl
-, recurseIntoAttrs
+{
+  lib,
+  stdenv,
+  callPackage,
+  dpkg,
+  fetchurl,
 
-, sqlite
-, elfutils
+  sqlite,
+  elfutils,
 }:
 
 let
   inherit (builtins)
-    elem attrNames attrValues concatMap filter fromJSON getAttr groupBy head isNull listToAttrs map mapAttrs readFile replaceStrings splitVersion ;
+    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 ;
+    converge
+    findFirst
+    groupBy'
+    hasPrefix
+    optional
+    pipe
+    take
+    toInt
+    toList
+    versionAtLeast
+    versionOlder
+    ;
 
   aptData = fromJSON (readFile ./packages.json);
 
@@ -32,44 +59,69 @@ let
   #
   # 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:
+  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}";
+    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 }:
+  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);
+  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;
+  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);
+  resolveDeps =
+    pkg:
+    let
+      deps = _resolveDeps (toList pkg);
       namedDeps = (map (x: "${x.pname}-${x.version}") deps);
-    in builtins.traceVerbose (builtins.deepSeq namedDeps namedDeps) deps;
+    in
+    builtins.traceVerbose (builtins.deepSeq namedDeps namedDeps) deps;
 
   blacklist = [
     "intel-basekit-env"
@@ -95,34 +147,53 @@ let
   isInBlacklist = pkg: elem pkg.provides blacklist;
   removeBlacklist = filter (e: !(isInBlacklist e));
 
-  dpkgExtractAll = pname: version: {srcs, deps}: stdenv.mkDerivation {
-    inherit pname version srcs;
+  dpkgExtractAll =
+    pname: version:
+    { srcs, deps }:
+    stdenv.mkDerivation {
+      inherit pname version srcs;
 
-    nativeBuildInputs = [ dpkg ];
-    phases = [ "installPhase" ];
+      nativeBuildInputs = [ dpkg ];
+      phases = [ "installPhase" ];
 
-    passthru = { inherit deps; };
+      passthru = { inherit deps; };
 
-    installPhase = ''
-      mkdir -p $out
-      for src in $srcs; do
-        echo "Unpacking $src"
-        dpkg -x $src $out
-      done
-    '';
-  };
+      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; };
+  fetchDeb =
+    p:
+    fetchurl {
+      url = apthost + p.filename;
+      inherit (p) sha256;
+    };
 
-  buildIntel = pkg: pipe pkg [
-    resolveDeps
-    removeBlacklist
-    (l: {srcs = map fetchDeb l; deps = l; })
-    (dpkgExtractAll "${pkg.provides}-extracted" pkg.version)
-  ];
+  buildIntel =
+    pkg:
+    pipe pkg [
+      resolveDeps
+      removeBlacklist
+      (l: {
+        srcs = map fetchDeb l;
+        deps = l;
+      })
+      (dpkgExtractAll "${pkg.provides}-extracted" pkg.version)
+    ];
 
-  findHpcKit = year: findMatching { pname = "intel-hpckit"; kind = "<<"; version = toString (year+1); };
+  findHpcKit =
+    year:
+    findMatching {
+      pname = "intel-hpckit";
+      kind = "<<";
+      version = toString (year + 1);
+    };
   years = map toInt (attrNames components);
 
   patchIntel = callPackage ./patch_intel.nix { };
@@ -188,18 +259,39 @@ let
     };
   };
 
-  replaceDots = replaceStrings ["."] ["_"];
+  replaceDots = replaceStrings [ "." ] [ "_" ];
 
-in 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)) // {
+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)))
-  ] ;
+    (mapAttrs (
+      _: l:
+      listToAttrs (
+        map (pkg: {
+          name = replaceDots ("v" + pkg.version);
+          value = pkg;
+        }) l
+      )
+    ))
+  ];
 
   inherit resolveDeps patchIntel buildIntel;
 }

pkgs/intel-oneapi/patch_intel.nix

@@ -1,179 +1,189 @@
-{ stdenvNoCC
-, lib
-, symlinkJoin
-, autoPatchelfHook
-, wrapCCWith
-, overrideCC
-, gcc13
-, gcc13Stdenv
-, hwloc
-, libelf
-, libffi_3_3
-, libpsm2
-, libuuid
-, libxml2
-, numactl
-, ocl-icd
-, openssl
-, python3
-, rdma-core
-, ucx
-, zlib
-, makeOverridable
-, recurseIntoAttrs
-}:
-
-makeOverridable (
 {
-  unpatched,
-  components ? { },
-  extraPackages ? components.extraPackages or []
+  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,
 }:
 
-let
-  inherit (builtins) attrValues filter mapAttrs removeAttrs;
+lib.makeOverridable (
+  {
+    unpatched,
+    components ? { },
+    extraPackages ? components.extraPackages or [ ],
+  }:
 
-  gcc = gcc13;
-  stdenv = gcc13Stdenv;
+  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;
+    __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, extraBuildCommands ? "", extraInstall ? "", ... }@args:
-    let
-      targetConfig = stdenv.targetPlatform.config;
-    in (wrapCCWith {
-      inherit cc;
-      extraBuildCommands = ''
-        echo "-L${gcc.cc}/lib/gcc/${targetConfig}/${gcc.version}" >> $out/nix-support/cc-ldflags
-        echo "-L${gcc.cc.lib}/lib" >> $out/nix-support/cc-ldflags
-        echo "-L${cc}/lib" >> $out/nix-support/cc-ldflags
+    wrapIntel =
+      cc:
+      let
+        targetConfig = stdenv.targetPlatform.config;
+      in
+      (wrapCCWith {
+        inherit cc;
 
-        # echo "--gcc-toolchain=${gcc.cc}" >> $out/nix-support/libcxx-cxxflags
-        echo "--gcc-toolchain=${gcc.cc}" >> $out/nix-support/cc-cflags
+        nixSupport = {
+          cc-ldflags = [
+            "-L${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}"
+          ];
+        };
 
-        # For some reason, If we don't resolve the realpath things go wrong
-        for stddef in ${cc}/lib/clang/*/include/stddef.h ; do
-          dir=$(dirname $(realpath "$stddef"))
-          echo "-isystem $dir" >> $out/nix-support/cc-cflags
-        done
+        extraBuildCommands = ''
+          # FIXME: We should find a better way to modify the PATH instead of using
+          # this ugly hack. See https://jungle.bsc.es/git/rarias/bscpkgs/issues/9
+          echo 'path_backup="${gcc.cc}/bin:$path_backup"' >>$out/nix-support/cc-wrapper-hook
 
-        echo "-isystem ${cc}/include" >> $out/nix-support/cc-cflags
-        echo "-isystem ${cc}/include/intel64" >> $out/nix-support/cc-cflags
+          # Disable hardening by default
+          echo "" > $out/nix-support/add-hardening.sh
 
-        for dir in ${gcc.cc}/lib/gcc/${targetConfig}/*/include; do
-          echo "-isystem $dir" >> $out/nix-support/cc-cflags
-        done
+          wrap icx  $wrapper $ccPath/icx
+          wrap icpx $wrapper $ccPath/icpx
+          wrap ifx  $wrapper $ccPath/ifx
 
-        for dir in ${gcc.cc}/include/c++/*; do
-          echo "-isystem $dir" >> $out/nix-support/libcxx-cxxflags
-        done
-        for dir in ${gcc.cc}/include/c++/*/${targetConfig}; do
-          echo "-isystem $dir" >> $out/nix-support/libcxx-cxxflags
-        done
+          ln -s $out/bin/icpx $out/bin/c++
+          ln -s $out/bin/icx  $out/bin/cc
 
-        # 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
+          sed -i 's/.*isCxx=0/isCxx=1/' $out/bin/icpx
 
-        # Disable hardening by default
-        echo "" > $out/nix-support/add-hardening.sh
-      '' + extraBuildCommands;
-    } // (removeAttrs args ["cc" "extraBuildCommands" "extraInstall"])
-    ).overrideAttrs (old: {
-      installPhase = old.installPhase + extraInstall;
-    });
+          # Use this to detect when a compiler subprocess is called
+          # from icpx (--fsycl-host-compiler)
+          echo 'export NIX_CC_WRAPPER_INTEL=1' >>$out/nix-support/cc-wrapper-hook
 
-in
-stdenvNoCC.mkDerivation (finalAttrs: {
-  pname = lib.removeSuffix "-extracted" unpatched.pname;
-  inherit (unpatched) version;
-  src = unpatched;
+          # 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"
+          '';
+        });
 
-  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;
+  in
+  stdenvNoCC.mkDerivation (finalAttrs: {
+    pname = lib.removeSuffix "-extracted" unpatched.pname;
+    inherit (unpatched) version;
+    src = unpatched;
 
-  autoPatchelfIgnoreMissingDeps = [ "libhwloc.so.5" "libcuda.so.1" "libze_loader.so.1" ];
+    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;
 
-  # There are broken symlinks that go outside packages, ignore them
-  dontCheckForBrokenSymlinks = true;
+    autoPatchelfIgnoreMissingDeps = [
+      "libhwloc.so.5"
+      "libcuda.so.1"
+      "libze_loader.so.1"
+    ];
 
-  nativeBuildInputs = [ autoPatchelfHook ];
-  installPhase = ''
-    cp -r $src/opt/intel/oneapi/ $out
-  '';
+    # There are broken symlinks that go outside packages, ignore them
+    dontCheckForBrokenSymlinks = true;
 
-  passthru = let
-    pkgs = mapAttrs
-      (folder: version: symlinkJoin {
-        pname = "intel-${folder}";
-        inherit version;
-        paths = ["${finalAttrs.finalPackage}/${folder}/${version}"];
-      })
-      _components;
-  in pkgs // {
-    inherit unpatched;
-    pkgs = recurseIntoAttrs pkgs;
-    components = _components;
+    nativeBuildInputs = [ autoPatchelfHook ];
+    installPhase = ''
+      cp -r $src/opt/intel/oneapi/ $out
+    '';
 
-    # This contains all packages properly symlinked into toplevel directories
-    # in $out.
-    #
-    # NOTE: there are clashes with packages that have symlinks outside their
-    # scope (libtcm and env/vars.sh)
-    all = symlinkJoin {
-      pname = finalAttrs.finalPackage + "-symlinked";
-      inherit (finalAttrs.finalPackage) version;
-      paths = filter lib.isDerivation (attrValues finalAttrs.finalPackage.pkgs);
-    };
+    passthru =
+      let
+        pkgs = mapAttrs (
+          folder: version:
+          let
+            original = "${finalAttrs.finalPackage}/${folder}/${version}";
+          in
+          symlinkJoin {
+            pname = "intel-${folder}";
+            inherit version;
+            paths = [ original ];
+            passthru = { inherit original; };
+          }
+        ) _components;
+      in
+      pkgs
+      // {
+        inherit unpatched;
+        pkgs = lib.recurseIntoAttrs pkgs;
+        components = _components;
 
-    stdenv = overrideCC stdenv finalAttrs.finalPackage.cc;
+        # 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);
+        };
 
-    cc = wrapIntel {
-      cc = finalAttrs.finalPackage.pkgs.compiler;
-      extraBuildCommands = ''
-        wrap icx  $wrapper $ccPath/icx
-        wrap icpx $wrapper $ccPath/icpx
-        wrap ifx  $wrapper $ccPath/ifx
+        stdenv = overrideCC stdenv finalAttrs.finalPackage.cc;
 
-        ln -s $out/bin/icpx $out/bin/c++
-        ln -s $out/bin/icx  $out/bin/cc
+        cc = wrapIntel finalAttrs.finalPackage.pkgs.compiler;
+      };
 
-        # 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
-
-        sed -i 's/.*isCxx=0/isCxx=1/' $out/bin/icpx
-
-        # oneMath looks for sycl libraries in bin/../lib
-        ln -s ${finalAttrs.finalPackage.pkgs.compiler}/lib $out/lib
-        ln -s ${finalAttrs.finalPackage.pkgs.compiler}/include $out/include
-      '';
-      extraInstall = ''
-        export named_cc="icx"
-        export named_cxx="icpx"
-        export named_fc="ifx"
-      '';
-    };
-  };
-
-}))
+  })
+)

pkgs/llvm-ompss2/clang.nix

@@ -16,19 +16,19 @@
 , useGit ? false
 , gitUrl ? "ssh://git@bscpm04.bsc.es/llvm-ompss/llvm-mono.git"
 , gitBranch ? "master"
-, gitCommit ? "880e2341c56bad1dc14e8c369fb3356bec19018e"
+, gitCommit ? "872ba63f86edaefc9787984ef3fae9f2f94e0124" # github-release-2025.11
 }:
 
 let
   stdenv = llvmPackages_latest.stdenv;
 
   release = rec {
-    version = "2025.06";
+    version = "2025.11";
     src = fetchFromGitHub {
       owner = "bsc-pm";
       repo = "llvm";
       rev = "refs/tags/github-release-${version}";
-      hash = "sha256-ww9PpRmtz/M9IyLiZ8rAehx2UW4VpQt+svf4XfKBzKo=";
+      hash = "sha256-UgwMTUkM9Z87dDH205swZFBeFhrcbLAxginViG40pBM=";
     };
   };
 

pkgs/llvm-ompss2/default.nix

@@ -2,7 +2,6 @@
   stdenv
 , lib
 , gcc
-, gcc13
 , clangOmpss2Unwrapped
 , writeShellScript
 , openmp ? null
@@ -29,10 +28,10 @@ let
   # We need to replace the lld linker from bintools with our linker just built,
   # otherwise we run into incompatibility issues when mixing compiler and linker
   # versions.
-  bintools-unwrapped = llvmPackages_latest.tools.bintools-unwrapped.override {
+  bintools-unwrapped = llvmPackages_latest.bintools-unwrapped.override {
     lld = clangOmpss2Unwrapped;
   };
-  bintools = llvmPackages_latest.tools.bintools.override {
+  bintools = llvmPackages_latest.bintools.override {
     bintools = bintools-unwrapped;
   };
   targetConfig = stdenv.targetPlatform.config;
@@ -93,9 +92,7 @@ let
   '';
 
   wrappedCCIntel = wrapCCWith {
-    inherit bintools extraPackages;
-    cc = cc.override { gcc = gcc13; }; # Intel uses gcc13, so we have to match it
-    gccForLibs = gcc13;
+    inherit cc bintools extraPackages;
     # extraPackages adds packages to depsTargetTargetPropagated
     extraBuildCommands = intelExtraBuildCommands + envExports;
   };

pkgs/mcxx/default.nix

@@ -65,6 +65,7 @@ stdenv.mkDerivation rec {
   ];
 
   meta = {
+    broken = true;
     homepage = "https://github.com/bsc-pm/mcxx";
     description = "C/C++/Fortran source-to-source compilation infrastructure aimed at fast prototyping";
     maintainers = with lib.maintainers.bsc; [ rpenacob ];

pkgs/meteocat-exporter/default.nix

@@ -1,9 +1,11 @@
 { python3Packages, lib }:
 
-python3Packages.buildPythonApplication rec {
+python3Packages.buildPythonApplication {
   pname = "meteocat-exporter";
   version = "1.0";
 
+  pyproject = true;
+
   src = ./.;
 
   doCheck = false;

pkgs/mpich/default.nix

@@ -6,6 +6,13 @@
 , pmix
 , gfortran
 , symlinkJoin
+# Disabled when cross-compiling
+# To fix cross compilation, we should fill the values in:
+# https://github.com/pmodels/mpich/blob/main/maint/fcrosscompile/cross_values.txt.in
+# For each arch
+, enableFortran ? stdenv.hostPlatform == stdenv.buildPlatform
+, perl
+, targetPackages
 }:
 
 let
@@ -15,10 +22,13 @@ let
     paths = [ pmix.dev pmix.out ];
   };
 in mpich.overrideAttrs (old: {
-  buildInput = old.buildInputs ++ [
+  buildInputs = old.buildInputs ++ [
     libfabric
     pmixAll
   ];
+  nativeBuildInputs = old.nativeBuildInputs ++ [
+    perl
+  ];
   configureFlags = [
     "--enable-shared"
     "--enable-sharedlib"
@@ -31,10 +41,21 @@ in mpich.overrideAttrs (old: {
   ] ++ lib.optionals (lib.versionAtLeast gfortran.version "10") [
     "FFLAGS=-fallow-argument-mismatch" # https://github.com/pmodels/mpich/issues/4300
     "FCFLAGS=-fallow-argument-mismatch"
+  ] ++ lib.optionals (!enableFortran) [
+    "--disable-fortran"
   ];
+
+  preFixup = ''
+    sed -i 's:^CC=.*:CC=${targetPackages.stdenv.cc}/bin/${targetPackages.stdenv.cc.targetPrefix}cc:' $out/bin/mpicc
+    sed -i 's:^CXX=.*:CXX=${targetPackages.stdenv.cc}/bin/${targetPackages.stdenv.cc.targetPrefix}c++:' $out/bin/mpicxx
+  '' + lib.optionalString enableFortran ''
+    sed -i 's:^FC=.*:FC=${targetPackages.gfortran or gfortran}/bin/${targetPackages.gfortran.targetPrefix or gfortran.targetPrefix}gfortran:' $out/bin/mpifort
+  '';
+
   hardeningDisable = [ "all" ];
 
   meta = old.meta // {
     maintainers = old.meta.maintainers ++ (with lib.maintainers.bsc; [ rarias ]);
+    cross = true;
   };
 })

pkgs/nixgen/default.nix

@@ -0,0 +1,22 @@
+{
+  stdenv
+, lib
+}:
+
+stdenv.mkDerivation {
+  pname = "nixgen";
+  version = "0.0.1";
+  src = ./nixgen;
+  dontUnpack = true;
+  phases = [ "installPhase" ];
+  installPhase = ''
+    mkdir -p $out/bin
+    cp -a $src $out/bin/nixgen
+  '';
+  meta = {
+    description = "Quickly generate flake.nix from command line";
+    maintainers = with lib.maintainers.bsc; [ rarias ];
+    platforms = lib.platforms.linux;
+    license = lib.licenses.gpl3Plus;
+  };
+}

pkgs/nixgen/nixgen

@@ -0,0 +1,97 @@
+#!/bin/sh
+#
+# Copyright (c) 2025, Barcelona Supercomputing Center (BSC)
+# SPDX-License-Identifier: GPL-3.0+
+# Author: Rodrigo Arias Mallo <rodrigo.arias@bsc.es>
+
+function usage() {
+  echo "USAGE: nixgen [-f] [package [...]] [-b package [...]]" >&2
+  echo "  Generates a flake.nix file with the given packages." >&2
+  echo "  After flake.nix is created, use 'nix develop' to enter the shell." >&2
+  echo "OPTIONS" >&2
+  echo "  -f               Overwrite existing flake.nix (default: no)." >&2
+  echo "  packages...      Add these packages to the shell." >&2
+  echo "  -b packages...   Add the dependencies needed to build these packages." >&2
+  echo "EXAMPLE" >&2
+  echo "  $ nixgen ovni bigotes -b nosv tampi" >&2
+  echo "  Adds the packages ovni and bigotes as well as all required dependencies" >&2
+  echo "  to build nosv and tampi." >&2
+  echo "AUTHOR" >&2
+  echo "  Rodrigo Arias Mallo <rodrigo.arias@bsc.es>" >&2
+  exit 1
+}
+
+mode=package
+packages=
+inputsFrom=
+force=
+
+if [[ $# -eq 0 ]]; then
+  usage
+fi
+
+while [[ $# -gt 0 ]]; do
+    case $1 in -b)
+      mode=build
+      shift
+      ;;
+    -f)
+      force=1
+      shift
+      ;;
+    -h)
+      usage
+      ;;
+    -*|--*)
+      echo "error: unknown option $1" >&2
+      exit 1
+      ;;
+    *)
+      if [ "$mode" == "package" ]; then
+        packages+="${packages:+ }$1"
+      else
+        inputsFrom+="${inputsFrom:+ }$1"
+      fi
+      shift
+      ;;
+  esac
+done
+
+if [ ! "$force" -a -e flake.nix ]; then
+  echo "error: flake.nix exists, force overwrite with -f" >&2
+  exit 1
+fi
+
+cat > flake.nix <<EOF
+{
+  inputs.jungle.url = "git+https://jungle.bsc.es/git/rarias/jungle";
+  outputs = { self, jungle }:
+  let
+    nixpkgs = jungle.inputs.nixpkgs;
+    customOverlay = (final: prev: {
+      # Example overlay, for now empty
+    });
+    pkgs = import nixpkgs {
+      system = "x86_64-linux";
+      overlays = [
+        # Apply jungle overlay to get our BSC custom packages
+        jungle.outputs.bscOverlay
+        # And on top apply our local changes to customize for cluster
+        customOverlay
+      ];
+    };
+  in {
+    devShells.x86_64-linux.default = pkgs.mkShell {
+      pname = "devshell";
+      # Include these packages in the shell
+      packages = with pkgs; [
+        $packages
+      ];
+      # The dependencies needed to build these packages will be also included
+      inputsFrom = with pkgs; [
+        $inputsFrom
+      ];
+    };
+  };
+}
+EOF

pkgs/nodes/default.nix

@@ -14,19 +14,19 @@
 , useGit ? false
 , gitUrl ? "ssh://git@gitlab-internal.bsc.es/nos-v/nodes.git"
 , gitBranch ? "master"
-, gitCommit ? "6002ec9ae6eb876d962cc34366952a3b26599ba6"
+, gitCommit ? "511489e71504a44381e0930562e7ac80ac69a848" # version-1.4
 }:
 
 with lib;
 
 let
   release = rec {
-    version = "1.3";
+    version = "1.4";
     src = fetchFromGitHub {
       owner = "bsc-pm";
       repo = "nodes";
       rev = "version-${version}";
-      hash = "sha256-cFb9pxcjtkMmH0CsGgUO9LTdXDNh7MCqicgGWawLrsU=";
+      hash = "sha256-+lR/R0l3fGZO3XG7whMorFW2y2YZ0ZFnLeOHyQYrAsQ=";
     };
   };
 

pkgs/nosv/default.nix

@@ -13,19 +13,19 @@
 , useGit ? false
 , gitUrl ? "git@gitlab-internal.bsc.es:nos-v/nos-v.git"
 , gitBranch ? "master"
-, gitCommit ? "9f47063873c3aa9d6a47482a82c5000a8c813dd8"
+, gitCommit ? "1108e4786b58e0feb9a16fa093010b763eb2f8e8" # version 4.0.0
 }:
 
 with lib;
 
 let
   release = rec {
-    version = "3.2.0";
+    version = "4.0.0";
     src = fetchFromGitHub {
       owner = "bsc-pm";
       repo = "nos-v";
       rev = "${version}";
-      hash = "sha256-yaz92426EM8trdkBJlISmAoG9KJCDTvoAW/HKrasvOw=";
+      hash = "sha256-llaq73bd/YxLVKNlMebnUHKa4z3sdcsuDUoVwUxNuw8=";
     };
   };
 

pkgs/onemath/default.nix

@@ -1,30 +1,33 @@
-{ lib
-, fetchFromGitHub
-, cmake
-, withCFlags
-, intelPackages
+{
+  lib,
+  fetchFromGitHub,
+  cmake,
+  withCFlags,
+  intelPackages,
 
-, mklSupport ? true
+  mklSupport ? true,
 
-, config
+  config,
 
-, cudaSupport ? config.cudaSupport
-, cudaPackages ? { }
+  cudaSupport ? config.cudaSupport,
+  cudaPackages ? { },
 
-, rocmSupport ? config.rocmSupport
-, hipTargets ? null # only one target at a time supported
-, rocmPackages ? { }
+  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=${cudaPackages.cudatoolkit}" ]) intelPackages.stdenv;
+  stdenv = withCFlags (lib.optionals cudaSupport [
+    "--cuda-path=${cudaPackages.cudatoolkit}"
+  ]) intelPackages.stdenv;
 in
 
-  # at least one backend has to be enabled
-  assert mklSupport || cudaSupport || enableHip;
+# at least one backend has to be enabled
+assert mklSupport || cudaSupport || enableHip;
 
 stdenv.mkDerivation rec {
   pname = "oneMath";
@@ -38,47 +41,51 @@ stdenv.mkDerivation rec {
   };
 
   cmakeFlags = [
-    (lib.cmakeBool "ENABLE_MKLCPU_BACKEND"    mklSupport)
-    (lib.cmakeBool "ENABLE_MKLGPU_BACKEND"    mklSupport)
+    (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_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_ROCBLAS_BACKEND" enableHip)
+    (lib.cmakeBool "ENABLE_ROCFFT_BACKEND" enableHip)
     (lib.cmakeBool "ENABLE_ROCSOLVER_BACKEND" enableHip)
-    (lib.cmakeBool "ENABLE_ROCRAND_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.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
+  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
-  ];
+      cudaPackages.libcublas
+      cudaPackages.libcurand
+      cudaPackages.libcufft
+      cudaPackages.libcusparse
+      cudaPackages.libcusolver
+    ];
 
 }

pkgs/osu/default.nix

@@ -32,6 +32,11 @@ stdenv.mkDerivation rec {
       "CXX=mpicxx"
   ];
 
+  env = {
+    MPICH_CC="${stdenv.cc}/bin/${stdenv.cc.targetPrefix}cc";
+    MPICH_CXX="${stdenv.cc}/bin/${stdenv.cc.targetPrefix}c++";
+  };
+
   postInstall = ''
     mkdir -p $out/bin
     for f in $(find $out -executable -type f); do
@@ -44,5 +49,6 @@ stdenv.mkDerivation rec {
     homepage = "http://mvapich.cse.ohio-state.edu/benchmarks/";
     maintainers = [ ];
     platforms = lib.platforms.all;
+    cross = true;
   };
 }

pkgs/ovni/default.nix

@@ -7,7 +7,7 @@
 , useGit ? false
 , gitBranch ? "master"
 , gitUrl ? "ssh://git@bscpm04.bsc.es/rarias/ovni.git"
-, gitCommit ? "e4f62382076f0cf0b1d08175cf57cc0bc51abc61"
+, gitCommit ? "06432668f346c8bdc1006fabc23e94ccb81b0d8b" # version 1.13.0
 , enableDebug ? false
 # Only enable MPI if the build is native (fails on cross-compilation)
 , useMpi ? (stdenv.buildPlatform.canExecute stdenv.hostPlatform)
@@ -15,13 +15,13 @@
 
 let
   release = rec {
-    version = "1.12.0";
+    version = "1.13.0";
     src = fetchFromGitHub {
       owner = "bsc-pm";
       repo = "ovni";
       rev = "${version}";
-      hash = "sha256-H04JvsVKrdqr3ON7JhU0g17jjlg/jzQ7eTfx9vUNd3E=";
-    } // { shortRev = "a73afcf"; };
+      hash = "sha256-0l2ryIyWNiZqeYdVlnj/WnQGS3xFCY4ICG8JedX424w=";
+    } // { shortRev = "0643266"; };
   };
 
   git = rec {

pkgs/paraver/default.nix

@@ -12,7 +12,7 @@
 , paraverKernel
 , openssl
 , glibcLocales
-, wrapGAppsHook
+, wrapGAppsHook3
 }:
 
 let
@@ -64,7 +64,7 @@ stdenv.mkDerivation rec {
     autoconf
     automake
     autoreconfHook
-    wrapGAppsHook
+    wrapGAppsHook3
   ];
 
   buildInputs = [

pkgs/sonar/default.nix

@@ -35,5 +35,6 @@ stdenv.mkDerivation rec {
     maintainers = with lib.maintainers.bsc; [ rarias ];
     platforms = lib.platforms.linux;
     license = lib.licenses.mit;
+    cross = true;
   };
 }

pkgs/tagaspi/default.nix

@@ -5,23 +5,14 @@
 , automake
 , autoconf
 , libtool
-, mpi
 , autoreconfHook
 , gpi-2
 , boost
 , numactl
 , rdma-core
 , gfortran
-, symlinkJoin
 }:
 
-let
-  mpiAll = symlinkJoin {
-    name = "mpi-all";
-    paths = [ mpi.all ];
-  };
-in
-
 stdenv.mkDerivation rec {
   pname = "tagaspi";
   enableParallelBuilding = true;
@@ -35,16 +26,18 @@ stdenv.mkDerivation rec {
     hash = "sha256-RGG/Re2uM293HduZfGzKUWioDtwnSYYdfeG9pVrX9EM=";
   };
 
-  buildInputs = [
+  nativeBuildInputs = [
     autoreconfHook
     automake
     autoconf
     libtool
+    gfortran
+  ];
+
+  buildInputs = [
     boost
     numactl
     rdma-core
-    gfortran
-    mpiAll
   ];
 
   dontDisableStatic = true;
@@ -63,5 +56,6 @@ stdenv.mkDerivation rec {
     maintainers = with lib.maintainers.bsc; [ rarias ];
     platforms = lib.platforms.linux;
     license = lib.licenses.gpl3Plus;
+    cross = false; # gpi-2 cannot cross
   };
 }

pkgs/tampi/default.nix

@@ -68,5 +68,6 @@ in stdenv.mkDerivation {
     maintainers = with lib.maintainers.bsc; [ rarias ];
     platforms = lib.platforms.linux;
     license = lib.licenses.gpl3Plus;
+    cross = true;
   };
 }

pkgs/upc-qaire-exporter/default.nix

@@ -1,9 +1,11 @@
 { python3Packages, lib }:
 
-python3Packages.buildPythonApplication rec {
+python3Packages.buildPythonApplication {
   pname = "upc-qaire-exporter";
   version = "1.0";
 
+  pyproject = true;
+
   src = ./.;
 
   doCheck = false;

test/compilers/hello-sycl.nix

@@ -1,4 +1,8 @@
-{ intelPackages,  writeText, strace }:
+{
+  intelPackages,
+  writeText,
+  strace,
+}:
 
 let
   stdenv = intelPackages.stdenv;
@@ -26,7 +30,7 @@ let
         return 0;
     } catch (sycl::exception &e) {
         std::cout << "SYCL exception: " << e.what() << std::endl;
-        return 0; // we excpect to fail since no devices should be available;
+        return 0; // we expect to fail since no devices should be available;
     }
   '';
 in
@@ -34,7 +38,10 @@ in
 stdenv.mkDerivation {
   version = "0.0.1";
   name = "hello-sycl";
-  buildInputs = [ stdenv strace ];
+  buildInputs = [
+    stdenv
+    strace
+  ];
   src = hello_sycl;
   dontUnpack = true;
   dontConfigure = true;

test/compilers/icpx-ompss2.nix

@@ -1,4 +1,11 @@
-{ writeText, intelPackages, nodes, nosv, clangOmpss2Nodes, strace }:
+{
+  writeText,
+  intelPackages,
+  nodes,
+  nosv,
+  clangOmpss2Nodes,
+  strace,
+}:
 
 let
   hello_cpp = writeText "hello.cpp" ''