Add TACUDA through cudaPackages extensions

See: https://lkml.org/lkml/2025/4/9/1709

flake.lock

@@ -1,107 +1,25 @@
 {
   "nodes": {
-    "agenix": {
-      "inputs": {
-        "darwin": "darwin",
-        "home-manager": "home-manager",
-        "nixpkgs": [
-          "nixpkgs"
-        ],
-        "systems": "systems"
-      },
-      "locked": {
-        "lastModified": 1750173260,
-        "narHash": "sha256-9P1FziAwl5+3edkfFcr5HeGtQUtrSdk/MksX39GieoA=",
-        "owner": "ryantm",
-        "repo": "agenix",
-        "rev": "531beac616433bac6f9e2a19feb8e99a22a66baf",
-        "type": "github"
-      },
-      "original": {
-        "owner": "ryantm",
-        "repo": "agenix",
-        "type": "github"
-      }
-    },
-    "darwin": {
-      "inputs": {
-        "nixpkgs": [
-          "agenix",
-          "nixpkgs"
-        ]
-      },
-      "locked": {
-        "lastModified": 1744478979,
-        "narHash": "sha256-dyN+teG9G82G+m+PX/aSAagkC+vUv0SgUw3XkPhQodQ=",
-        "owner": "lnl7",
-        "repo": "nix-darwin",
-        "rev": "43975d782b418ebf4969e9ccba82466728c2851b",
-        "type": "github"
-      },
-      "original": {
-        "owner": "lnl7",
-        "ref": "master",
-        "repo": "nix-darwin",
-        "type": "github"
-      }
-    },
-    "home-manager": {
-      "inputs": {
-        "nixpkgs": [
-          "agenix",
-          "nixpkgs"
-        ]
-      },
-      "locked": {
-        "lastModified": 1745494811,
-        "narHash": "sha256-YZCh2o9Ua1n9uCvrvi5pRxtuVNml8X2a03qIFfRKpFs=",
-        "owner": "nix-community",
-        "repo": "home-manager",
-        "rev": "abfad3d2958c9e6300a883bd443512c55dfeb1be",
-        "type": "github"
-      },
-      "original": {
-        "owner": "nix-community",
-        "repo": "home-manager",
-        "type": "github"
-      }
-    },
     "nixpkgs": {
       "locked": {
-        "lastModified": 1752436162,
+        "lastModified": 1764522689,
-        "narHash": "sha256-Kt1UIPi7kZqkSc5HVj6UY5YLHHEzPBkgpNUByuyxtlw=",
+        "narHash": "sha256-SqUuBFjhl/kpDiVaKLQBoD8TLD+/cTUzzgVFoaHrkqY=",
         "owner": "NixOS",
         "repo": "nixpkgs",
-        "rev": "dfcd5b901dbab46c9c6e80b265648481aafb01f8",
+        "rev": "8bb5646e0bed5dbd3ab08c7a7cc15b75ab4e1d0f",
         "type": "github"
       },
       "original": {
         "owner": "NixOS",
-        "ref": "nixos-25.05",
+        "ref": "nixos-25.11",
         "repo": "nixpkgs",
         "type": "github"
       }
     },
     "root": {
       "inputs": {
-        "agenix": "agenix",
         "nixpkgs": "nixpkgs"
       }
-    },
-    "systems": {
-      "locked": {
-        "lastModified": 1681028828,
-        "narHash": "sha256-Vy1rq5AaRuLzOxct8nz4T6wlgyUR7zLU309k9mBC768=",
-        "owner": "nix-systems",
-        "repo": "default",
-        "rev": "da67096a3b9bf56a91d16901293e51ba5b49a27e",
-        "type": "github"
-      },
-      "original": {
-        "owner": "nix-systems",
-        "repo": "default",
-        "type": "github"
-      }
     }
   },
   "root": "root",

flake.nix

@@ -1,15 +1,13 @@
 {
   inputs = {
-    nixpkgs.url = "github:NixOS/nixpkgs/nixos-25.05";
+    nixpkgs.url = "github:NixOS/nixpkgs/nixos-25.11";
-    agenix.url = "github:ryantm/agenix";
-    agenix.inputs.nixpkgs.follows = "nixpkgs";
   };
 
-  outputs = { self, nixpkgs, agenix, ... }:
+  outputs = { self, nixpkgs, ... }:
 let
   mkConf = name: nixpkgs.lib.nixosSystem {
     system = "x86_64-linux";
-    specialArgs = { inherit nixpkgs agenix; theFlake = self; };
+    specialArgs = { inherit nixpkgs; theFlake = self; };
     modules = [ "${self.outPath}/m/${name}/configuration.nix" ];
   };
   # For now we only support x86

m/common/base/agenix.nix

@@ -1,9 +1,8 @@
-{ agenix, ... }:
+{ pkgs, ... }:
 
 {
-  imports = [ agenix.nixosModules.default ];
+  imports = [ ../../module/agenix.nix ];
 
-  environment.systemPackages = [
+  # Add agenix to system packages
-    agenix.packages.x86_64-linux.default
+  environment.systemPackages = [ pkgs.agenix ];
-  ];
 }

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
+    ncdu perf ldns pv
-    # From bsckgs overlay
+    # From jungle overlay
-    osumb
+    osumb nixgen
   ];
 
   programs.direnv.enable = true;

m/common/base/users.nix

@@ -180,6 +180,19 @@
           "ssh-ed25519 AAAAC3NzaC1lZDI1NTE5AAAAIFmMqKqPg4uocNOr3O41kLbZMOMJn3m2ZdN1JvTR96z3 bsccns@arnau-bsc"
         ];
       };
+
+      aaguirre = {
+        uid = 9655;
+        isNormalUser = true;
+        home = "/home/Computational/aaguirre";
+        description = "Alejandro Aguirre";
+        group = "Computational";
+        hosts = [ "apex" "hut" ];
+        hashedPassword = "$6$TXRXQT6jjBvxkxU6$E.sh5KspAm1qeG5Ct7OPHpo8REmbGDwjFGvqeGgTVz3GASGOAnPL7UMZsMAsAKBoahOw.v8LNno6XGrTEPzZH1";
+        openssh.authorizedKeys.keys = [
+          "ssh-ed25519 AAAAC3NzaC1lZDI1NTE5AAAAIOlRX7ZCnqtUJYCxKgWmgSrFCYuA2LHY96rVwqxXPl86 aaguirre@BSC-8488184117"
+        ];
+      };
     };
 
     groups = {

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/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

@@ -17,6 +17,7 @@
     ./postgresql.nix
     ./nginx.nix
     ./p.nix
+    ./ompss2-timer.nix
     #./pxe.nix
   ];
 

m/hut/gitea.nix

@@ -29,6 +29,9 @@
     };
   };
 
+  # Allow gitea user to send mail
+  users.users.gitea.extraGroups = [ "mail-robot" ];
+
   services.gitea-actions-runner.instances = {
     runrun = {
       enable = true;

m/hut/msmtp.nix

@@ -1,8 +1,11 @@
 { config, lib, ... }:
 {
+  # Robot user that can see the password to send mail from jungle-robot
+  users.groups.mail-robot = {};
+
   age.secrets.jungleRobotPassword = {
     file = ../../secrets/jungle-robot-password.age;
-    group = "gitea";
+    group = "mail-robot";
     mode = "440";
   };
 

m/hut/nginx.nix

@@ -4,8 +4,8 @@ let
     name = "jungle-web";
     src = pkgs.fetchgit {
       url = "https://jungle.bsc.es/git/rarias/jungle-website.git";
-      rev = "739bf0175a7f05380fe7ad7023ff1d60db1710e1";
+      rev = "52abaf4d71652a9ef77a0b098db14ca33bffff4c";
-      hash = "sha256-ea5DzhYTzZ9TmqD+x95rdNdLbxPnBluqlYH2NmBYmc4=";
+      hash = "sha256-/ul9GazbOrOkmlvSgDz/+2W+V+ir5725Y7mVLc3rb0M=";
     };
     buildInputs = [ pkgs.hugo ];
     buildPhase = ''

m/hut/ompss2-timer.nix

@@ -0,0 +1,85 @@
+{ config, pkgs, ... }:
+{
+  systemd.timers = {
+    "ompss2-closing" = {
+      wantedBy = [ "timers.target" ];
+      timerConfig = {
+        Unit = "ompss2-closing.service";
+        OnCalendar = [ "*-03-15 07:00:00" "*-09-15 07:00:00"];
+      };
+    };
+    "ompss2-freeze" = {
+      wantedBy = [ "timers.target" ];
+      timerConfig = {
+        Unit = "ompss2-freeze.service";
+        OnCalendar = [ "*-04-15 07:00:00" "*-10-15 07:00:00" ];
+      };
+    };
+    "ompss2-release" = {
+      wantedBy = [ "timers.target" ];
+      timerConfig = {
+        Unit = "ompss2-release.service";
+        OnCalendar = [ "*-05-15 07:00:00" "*-11-15 07:00:00" ];
+      };
+    };
+  };
+
+  systemd.services =
+  let
+    closing = pkgs.writeText "closing.txt"
+    ''
+      Subject: OmpSs-2 release enters closing period
+
+      Hi,
+
+      You have one month to merge the remaining features for the next OmpSs-2
+      release. Please, identify what needs to be merged and discuss it in the next
+      OmpSs-2 meeting.
+
+      Thanks!,
+      Jungle robot
+    '';
+    freeze = pkgs.writeText "freeze.txt"
+    ''
+      Subject: OmpSs-2 release enters freeze period
+
+      Hi,
+
+      The period to introduce new features or breaking changes is over, only bug
+      fixes are allowed now. During this time, please prepare the release notes
+      to be included in the next OmpSs-2 release.
+
+      Thanks!,
+      Jungle robot
+    '';
+    release = pkgs.writeText "release.txt"
+    ''
+      Subject: OmpSs-2 release now
+
+      Hi,
+
+      The period to introduce bug fixes is now over. Please, proceed to do the
+      OmpSs-2 release.
+
+      Thanks!,
+      Jungle robot
+    '';
+    mkServ = name: mail: {
+      "ompss2-${name}" = {
+        script = ''
+          set -eu
+          set -o pipefail
+          cat ${mail} | ${config.security.wrapperDir}/sendmail star@bsc.es
+        '';
+        serviceConfig = {
+          Type = "oneshot";
+          DynamicUser = true;
+          Group = "mail-robot";
+        };
+      };
+    };
+  in
+    (mkServ "closing" closing) //
+    (mkServ "freeze" freeze) //
+    (mkServ "release" release);
+}

m/module/agenix.nix

@@ -0,0 +1,357 @@
+{
+  config,
+  options,
+  lib,
+  pkgs,
+  ...
+}:
+with lib;
+let
+  cfg = config.age;
+
+  isDarwin = lib.attrsets.hasAttrByPath [ "environment" "darwinConfig" ] options;
+
+  ageBin = config.age.ageBin;
+
+  users = config.users.users;
+
+  sysusersEnabled =
+    if isDarwin then
+      false
+    else
+      options.systemd ? sysusers && (config.systemd.sysusers.enable || config.services.userborn.enable);
+
+  mountCommand =
+    if isDarwin then
+      ''
+        if ! diskutil info "${cfg.secretsMountPoint}" &> /dev/null; then
+            num_sectors=1048576
+            dev=$(hdiutil attach -nomount ram://"$num_sectors" | sed 's/[[:space:]]*$//')
+            newfs_hfs -v agenix "$dev"
+            mount -t hfs -o nobrowse,nodev,nosuid,-m=0751 "$dev" "${cfg.secretsMountPoint}"
+        fi
+      ''
+    else
+      ''
+        grep -q "${cfg.secretsMountPoint} ramfs" /proc/mounts ||
+          mount -t ramfs none "${cfg.secretsMountPoint}" -o nodev,nosuid,mode=0751
+      '';
+  newGeneration = ''
+    _agenix_generation="$(basename "$(readlink ${cfg.secretsDir})" || echo 0)"
+    (( ++_agenix_generation ))
+    echo "[agenix] creating new generation in ${cfg.secretsMountPoint}/$_agenix_generation"
+    mkdir -p "${cfg.secretsMountPoint}"
+    chmod 0751 "${cfg.secretsMountPoint}"
+    ${mountCommand}
+    mkdir -p "${cfg.secretsMountPoint}/$_agenix_generation"
+    chmod 0751 "${cfg.secretsMountPoint}/$_agenix_generation"
+  '';
+
+  chownGroup = if isDarwin then "admin" else "keys";
+  # chown the secrets mountpoint and the current generation to the keys group
+  # instead of leaving it root:root.
+  chownMountPoint = ''
+    chown :${chownGroup} "${cfg.secretsMountPoint}" "${cfg.secretsMountPoint}/$_agenix_generation"
+  '';
+
+  setTruePath = secretType: ''
+    ${
+      if secretType.symlink then
+        ''
+          _truePath="${cfg.secretsMountPoint}/$_agenix_generation/${secretType.name}"
+        ''
+      else
+        ''
+          _truePath="${secretType.path}"
+        ''
+    }
+  '';
+
+  installSecret = secretType: ''
+    ${setTruePath secretType}
+    echo "decrypting '${secretType.file}' to '$_truePath'..."
+    TMP_FILE="$_truePath.tmp"
+
+    IDENTITIES=()
+    for identity in ${toString cfg.identityPaths}; do
+      test -r "$identity" || continue
+      test -s "$identity" || continue
+      IDENTITIES+=(-i)
+      IDENTITIES+=("$identity")
+    done
+
+    test "''${#IDENTITIES[@]}" -eq 0 && echo "[agenix] WARNING: no readable identities found!"
+
+    mkdir -p "$(dirname "$_truePath")"
+    [ "${secretType.path}" != "${cfg.secretsDir}/${secretType.name}" ] && mkdir -p "$(dirname "${secretType.path}")"
+    (
+      umask u=r,g=,o=
+      test -f "${secretType.file}" || echo '[agenix] WARNING: encrypted file ${secretType.file} does not exist!'
+      test -d "$(dirname "$TMP_FILE")" || echo "[agenix] WARNING: $(dirname "$TMP_FILE") does not exist!"
+      LANG=${
+        config.i18n.defaultLocale or "C"
+      } ${ageBin} --decrypt "''${IDENTITIES[@]}" -o "$TMP_FILE" "${secretType.file}"
+    )
+    chmod ${secretType.mode} "$TMP_FILE"
+    mv -f "$TMP_FILE" "$_truePath"
+
+    ${optionalString secretType.symlink ''
+      [ "${secretType.path}" != "${cfg.secretsDir}/${secretType.name}" ] && ln -sfT "${cfg.secretsDir}/${secretType.name}" "${secretType.path}"
+    ''}
+  '';
+
+  testIdentities = map (path: ''
+    test -f ${path} || echo '[agenix] WARNING: config.age.identityPaths entry ${path} not present!'
+  '') cfg.identityPaths;
+
+  cleanupAndLink = ''
+    _agenix_generation="$(basename "$(readlink ${cfg.secretsDir})" || echo 0)"
+    (( ++_agenix_generation ))
+    echo "[agenix] symlinking new secrets to ${cfg.secretsDir} (generation $_agenix_generation)..."
+    ln -sfT "${cfg.secretsMountPoint}/$_agenix_generation" ${cfg.secretsDir}
+
+    (( _agenix_generation > 1 )) && {
+    echo "[agenix] removing old secrets (generation $(( _agenix_generation - 1 )))..."
+    rm -rf "${cfg.secretsMountPoint}/$(( _agenix_generation - 1 ))"
+    }
+  '';
+
+  installSecrets = builtins.concatStringsSep "\n" (
+    [ "echo '[agenix] decrypting secrets...'" ]
+    ++ testIdentities
+    ++ (map installSecret (builtins.attrValues cfg.secrets))
+    ++ [ cleanupAndLink ]
+  );
+
+  chownSecret = secretType: ''
+    ${setTruePath secretType}
+    chown ${secretType.owner}:${secretType.group} "$_truePath"
+  '';
+
+  chownSecrets = builtins.concatStringsSep "\n" (
+    [ "echo '[agenix] chowning...'" ]
+    ++ [ chownMountPoint ]
+    ++ (map chownSecret (builtins.attrValues cfg.secrets))
+  );
+
+  secretType = types.submodule (
+    { config, ... }:
+    {
+      options = {
+        name = mkOption {
+          type = types.str;
+          default = config._module.args.name;
+          defaultText = literalExpression "config._module.args.name";
+          description = ''
+            Name of the file used in {option}`age.secretsDir`
+          '';
+        };
+        file = mkOption {
+          type = types.path;
+          description = ''
+            Age file the secret is loaded from.
+          '';
+        };
+        path = mkOption {
+          type = types.str;
+          default = "${cfg.secretsDir}/${config.name}";
+          defaultText = literalExpression ''
+            "''${cfg.secretsDir}/''${config.name}"
+          '';
+          description = ''
+            Path where the decrypted secret is installed.
+          '';
+        };
+        mode = mkOption {
+          type = types.str;
+          default = "0400";
+          description = ''
+            Permissions mode of the decrypted secret in a format understood by chmod.
+          '';
+        };
+        owner = mkOption {
+          type = types.str;
+          default = "0";
+          description = ''
+            User of the decrypted secret.
+          '';
+        };
+        group = mkOption {
+          type = types.str;
+          default = users.${config.owner}.group or "0";
+          defaultText = literalExpression ''
+            users.''${config.owner}.group or "0"
+          '';
+          description = ''
+            Group of the decrypted secret.
+          '';
+        };
+        symlink = mkEnableOption "symlinking secrets to their destination" // {
+          default = true;
+        };
+      };
+    }
+  );
+in
+{
+  imports = [
+    (mkRenamedOptionModule [ "age" "sshKeyPaths" ] [ "age" "identityPaths" ])
+  ];
+
+  options.age = {
+    ageBin = mkOption {
+      type = types.str;
+      default = "${pkgs.age}/bin/age";
+      defaultText = literalExpression ''
+        "''${pkgs.age}/bin/age"
+      '';
+      description = ''
+        The age executable to use.
+      '';
+    };
+    secrets = mkOption {
+      type = types.attrsOf secretType;
+      default = { };
+      description = ''
+        Attrset of secrets.
+      '';
+    };
+    secretsDir = mkOption {
+      type = types.path;
+      default = "/run/agenix";
+      description = ''
+        Folder where secrets are symlinked to
+      '';
+    };
+    secretsMountPoint = mkOption {
+      type =
+        types.addCheck types.str (
+          s:
+          (builtins.match "[ \t\n]*" s) == null # non-empty
+          && (builtins.match ".+/" s) == null
+        ) # without trailing slash
+        // {
+          description = "${types.str.description} (with check: non-empty without trailing slash)";
+        };
+      default = "/run/agenix.d";
+      description = ''
+        Where secrets are created before they are symlinked to {option}`age.secretsDir`
+      '';
+    };
+    identityPaths = mkOption {
+      type = types.listOf types.path;
+      default =
+        if isDarwin then
+          [
+            "/etc/ssh/ssh_host_ed25519_key"
+            "/etc/ssh/ssh_host_rsa_key"
+          ]
+        else if (config.services.openssh.enable or false) then
+          map (e: e.path) (
+            lib.filter (e: e.type == "rsa" || e.type == "ed25519") config.services.openssh.hostKeys
+          )
+        else
+          [ ];
+      defaultText = literalExpression ''
+        if isDarwin
+        then [
+          "/etc/ssh/ssh_host_ed25519_key"
+          "/etc/ssh/ssh_host_rsa_key"
+        ]
+        else if (config.services.openssh.enable or false)
+        then map (e: e.path) (lib.filter (e: e.type == "rsa" || e.type == "ed25519") config.services.openssh.hostKeys)
+        else [];
+      '';
+      description = ''
+        Path to SSH keys to be used as identities in age decryption.
+      '';
+    };
+  };
+
+  config = mkIf (cfg.secrets != { }) (mkMerge [
+    {
+      assertions = [
+        {
+          assertion = cfg.identityPaths != [ ];
+          message = "age.identityPaths must be set, for example by enabling openssh.";
+        }
+      ];
+    }
+    (optionalAttrs (!isDarwin) {
+      # When using sysusers we no longer be started as an activation script
+      # because those are started in initrd while sysusers is started later.
+      systemd.services.agenix-install-secrets = mkIf sysusersEnabled {
+        wantedBy = [ "sysinit.target" ];
+        after = [ "systemd-sysusers.service" ];
+        unitConfig.DefaultDependencies = "no";
+
+        path = [ pkgs.mount ];
+        serviceConfig = {
+          Type = "oneshot";
+          ExecStart = pkgs.writeShellScript "agenix-install" (concatLines [
+            newGeneration
+            installSecrets
+            chownSecrets
+          ]);
+          RemainAfterExit = true;
+        };
+      };
+
+      # Create a new directory full of secrets for symlinking (this helps
+      # ensure removed secrets are actually removed, or at least become
+      # invalid symlinks).
+      system.activationScripts = mkIf (!sysusersEnabled) {
+        agenixNewGeneration = {
+          text = newGeneration;
+          deps = [
+            "specialfs"
+          ];
+        };
+
+        agenixInstall = {
+          text = installSecrets;
+          deps = [
+            "agenixNewGeneration"
+            "specialfs"
+          ];
+        };
+
+        # So user passwords can be encrypted.
+        users.deps = [ "agenixInstall" ];
+
+        # Change ownership and group after users and groups are made.
+        agenixChown = {
+          text = chownSecrets;
+          deps = [
+            "users"
+            "groups"
+          ];
+        };
+
+        # So other activation scripts can depend on agenix being done.
+        agenix = {
+          text = "";
+          deps = [ "agenixChown" ];
+        };
+      };
+    })
+
+    (optionalAttrs isDarwin {
+      launchd.daemons.activate-agenix = {
+        script = ''
+          set -e
+          set -o pipefail
+          export PATH="${pkgs.gnugrep}/bin:${pkgs.coreutils}/bin:@out@/sw/bin:/usr/bin:/bin:/usr/sbin:/sbin"
+          ${newGeneration}
+          ${installSecrets}
+          ${chownSecrets}
+          exit 0
+        '';
+        serviceConfig = {
+          RunAtLoad = true;
+          KeepAlive.SuccessfulExit = false;
+        };
+      };
+    })
+  ]);
+}

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
 
@@ -86,9 +51,7 @@ in {
       # when a task runs (srun) so we can ssh early.
       PrologFlags=Alloc,Contain,X11
 
-      # LaunchParameters=ulimit_pam_adopt will set RLIMIT_RSS in processes
+      LaunchParameters=use_interactive_step
-      # adopted by the external step, similar to tasks running in regular steps
-      # LaunchParameters=ulimit_pam_adopt
       SlurmdDebug=debug5
       #DebugFlags=Protocol,Cgroup
     '';

m/tent/nginx.nix

@@ -4,8 +4,8 @@ let
     name = "jungle-web";
     src = pkgs.fetchgit {
       url = "https://jungle.bsc.es/git/rarias/jungle-website.git";
-      rev = "739bf0175a7f05380fe7ad7023ff1d60db1710e1";
+      rev = "52abaf4d71652a9ef77a0b098db14ca33bffff4c";
-      hash = "sha256-ea5DzhYTzZ9TmqD+x95rdNdLbxPnBluqlYH2NmBYmc4=";
+      hash = "sha256-/ul9GazbOrOkmlvSgDz/+2W+V+ir5725Y7mVLc3rb0M=";
     };
     buildInputs = [ pkgs.hugo ];
     buildPhase = ''

overlay.nix

@@ -7,6 +7,7 @@ let
   callPackage = final.callPackage;
 
   bscPkgs = {
+    agenix = prev.callPackage ./pkgs/agenix/default.nix { };
     amd-uprof = prev.callPackage ./pkgs/amd-uprof/default.nix { };
     bench6 = callPackage ./pkgs/bench6/default.nix { };
     bigotes = callPackage ./pkgs/bigotes/default.nix { };
@@ -29,13 +30,15 @@ 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 { };
@@ -47,9 +50,12 @@ let
     ovni = callPackage ./pkgs/ovni/default.nix { };
     ovniGit = final.ovni.override { useGit = true; };
     paraverKernel = callPackage ./pkgs/paraver/kernel.nix { };
+    pocl = callPackage ./pkgs/pocl/default.nix { };
+    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
+    slurm = import ./pkgs/slurm/default.nix { slurm = prev.slurm; };
     sonar = callPackage ./pkgs/sonar/default.nix { };
     stdenvClangOmpss2 = final.stdenv.override { cc = final.clangOmpss2; allowedRequisites = null; };
     stdenvClangOmpss2Nanos6 = final.stdenv.override { cc = final.clangOmpss2Nanos6; allowedRequisites = null; };
@@ -58,7 +64,16 @@ 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 {
@@ -92,20 +107,29 @@ 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;
   };
 
   # For now, only build toplevel packages in CI/Hydra
   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
+    # If meta.cross is undefined, use default
-    (pkg.meta.cross or false) &&
+    (pkg.meta.cross or default) &&
-    (meta.availableOn platform pkg);
+    (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 { } ''
@@ -125,7 +149,7 @@ 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/agenix/agenix.sh

@@ -0,0 +1,212 @@
+#!/usr/bin/env bash
+set -Eeuo pipefail
+
+PACKAGE="agenix"
+
+function show_help () {
+  echo "$PACKAGE - edit and rekey age secret files"
+  echo " "
+  echo "$PACKAGE -e FILE [-i PRIVATE_KEY]"
+  echo "$PACKAGE -r [-i PRIVATE_KEY]"
+  echo ' '
+  echo 'options:'
+  echo '-h, --help                show help'
+  # shellcheck disable=SC2016
+  echo '-e, --edit FILE           edits FILE using $EDITOR'
+  echo '-r, --rekey               re-encrypts all secrets with specified recipients'
+  echo '-d, --decrypt FILE        decrypts FILE to STDOUT'
+  echo '-i, --identity            identity to use when decrypting'
+  echo '-v, --verbose             verbose output'
+  echo ' '
+  echo 'FILE an age-encrypted file'
+  echo ' '
+  echo 'PRIVATE_KEY a path to a private SSH key used to decrypt file'
+  echo ' '
+  echo 'EDITOR environment variable of editor to use when editing FILE'
+  echo ' '
+  echo 'If STDIN is not interactive, EDITOR will be set to "cp /dev/stdin"'
+  echo ' '
+  echo 'RULES environment variable with path to Nix file specifying recipient public keys.'
+  echo "Defaults to './secrets.nix'"
+  echo ' '
+  echo "agenix version: @version@"
+  echo "age binary path: @ageBin@"
+  echo "age version: $(@ageBin@ --version)"
+}
+
+function warn() {
+  printf '%s\n' "$*" >&2
+}
+
+function err() {
+  warn "$*"
+  exit 1
+}
+
+test $# -eq 0 && (show_help && exit 1)
+
+REKEY=0
+DECRYPT_ONLY=0
+DEFAULT_DECRYPT=(--decrypt)
+
+while test $# -gt 0; do
+  case "$1" in
+    -h|--help)
+      show_help
+      exit 0
+      ;;
+    -e|--edit)
+      shift
+      if test $# -gt 0; then
+        export FILE=$1
+      else
+        echo "no FILE specified"
+        exit 1
+      fi
+      shift
+      ;;
+    -i|--identity)
+      shift
+      if test $# -gt 0; then
+        DEFAULT_DECRYPT+=(--identity "$1")
+      else
+        echo "no PRIVATE_KEY specified"
+        exit 1
+      fi
+      shift
+      ;;
+    -r|--rekey)
+      shift
+      REKEY=1
+      ;;
+    -d|--decrypt)
+      shift
+      DECRYPT_ONLY=1
+      if test $# -gt 0; then
+        export FILE=$1
+      else
+        echo "no FILE specified"
+        exit 1
+      fi
+      shift
+      ;;
+    -v|--verbose)
+      shift
+      set -x
+      ;;
+    *)
+      show_help
+      exit 1
+      ;;
+  esac
+done
+
+RULES=${RULES:-./secrets.nix}
+function cleanup {
+    if [ -n "${CLEARTEXT_DIR+x}" ]
+    then
+        rm -rf -- "$CLEARTEXT_DIR"
+    fi
+    if [ -n "${REENCRYPTED_DIR+x}" ]
+    then
+        rm -rf -- "$REENCRYPTED_DIR"
+    fi
+}
+trap "cleanup" 0 2 3 15
+
+function keys {
+    (@nixInstantiate@ --json --eval --strict -E "(let rules = import $RULES; in rules.\"$1\".publicKeys)" | @jqBin@ -r .[]) || exit 1
+}
+
+function armor {
+    (@nixInstantiate@ --json --eval --strict -E "(let rules = import $RULES; in (builtins.hasAttr \"armor\" rules.\"$1\" && rules.\"$1\".armor))") || exit 1
+}
+
+function decrypt {
+    FILE=$1
+    KEYS=$2
+    if [ -z "$KEYS" ]
+    then
+        err "There is no rule for $FILE in $RULES."
+    fi
+
+    if [ -f "$FILE" ]
+    then
+        DECRYPT=("${DEFAULT_DECRYPT[@]}")
+        if [[ "${DECRYPT[*]}" != *"--identity"* ]]; then
+            if [ -f "$HOME/.ssh/id_rsa" ]; then
+                DECRYPT+=(--identity "$HOME/.ssh/id_rsa")
+            fi
+            if [ -f "$HOME/.ssh/id_ed25519" ]; then
+                DECRYPT+=(--identity "$HOME/.ssh/id_ed25519")
+            fi
+        fi
+        if [[ "${DECRYPT[*]}" != *"--identity"* ]]; then
+          err "No identity found to decrypt $FILE. Try adding an SSH key at $HOME/.ssh/id_rsa or $HOME/.ssh/id_ed25519 or using the --identity flag to specify a file."
+        fi
+
+        @ageBin@ "${DECRYPT[@]}" -- "$FILE" || exit 1
+    fi
+}
+
+function edit {
+    FILE=$1
+    KEYS=$(keys "$FILE") || exit 1
+    ARMOR=$(armor "$FILE") || exit 1
+
+    CLEARTEXT_DIR=$(@mktempBin@ -d)
+    CLEARTEXT_FILE="$CLEARTEXT_DIR/$(basename -- "$FILE")"
+    DEFAULT_DECRYPT+=(-o "$CLEARTEXT_FILE")
+
+    decrypt "$FILE" "$KEYS" || exit 1
+
+    [ ! -f "$CLEARTEXT_FILE" ] || cp -- "$CLEARTEXT_FILE" "$CLEARTEXT_FILE.before"
+
+    [ -t 0 ] || EDITOR='cp -- /dev/stdin'
+
+    $EDITOR "$CLEARTEXT_FILE"
+
+    if [ ! -f "$CLEARTEXT_FILE" ]
+    then
+      warn "$FILE wasn't created."
+      return
+    fi
+    [ -f "$FILE" ] && [ "$EDITOR" != ":" ] && @diffBin@ -q -- "$CLEARTEXT_FILE.before" "$CLEARTEXT_FILE" && warn "$FILE wasn't changed, skipping re-encryption." && return
+
+    ENCRYPT=()
+    if [[ "$ARMOR" == "true" ]]; then
+        ENCRYPT+=(--armor)
+    fi
+    while IFS= read -r key
+    do
+        if [ -n "$key" ]; then
+            ENCRYPT+=(--recipient "$key")
+        fi
+    done <<< "$KEYS"
+
+    REENCRYPTED_DIR=$(@mktempBin@ -d)
+    REENCRYPTED_FILE="$REENCRYPTED_DIR/$(basename -- "$FILE")"
+
+    ENCRYPT+=(-o "$REENCRYPTED_FILE")
+
+    @ageBin@ "${ENCRYPT[@]}" <"$CLEARTEXT_FILE" || exit 1
+
+    mkdir -p -- "$(dirname -- "$FILE")"
+
+    mv -f -- "$REENCRYPTED_FILE" "$FILE"
+}
+
+function rekey {
+    FILES=$( (@nixInstantiate@ --json --eval -E "(let rules = import $RULES; in builtins.attrNames rules)"  | @jqBin@ -r .[]) || exit 1)
+
+    for FILE in $FILES
+    do
+        warn "rekeying $FILE..."
+        EDITOR=: edit "$FILE"
+        cleanup
+    done
+}
+
+[ $REKEY -eq 1 ] && rekey && exit 0
+[ $DECRYPT_ONLY -eq 1 ] && DEFAULT_DECRYPT+=("-o" "-") && decrypt "${FILE}" "$(keys "$FILE")" && exit 0
+edit "$FILE" && cleanup && exit 0

pkgs/agenix/default.nix

@@ -0,0 +1,66 @@
+{
+  lib,
+  stdenv,
+  age,
+  jq,
+  nix,
+  mktemp,
+  diffutils,
+  replaceVars,
+  ageBin ? "${age}/bin/age",
+  shellcheck,
+}:
+let
+  bin = "${placeholder "out"}/bin/agenix";
+in
+stdenv.mkDerivation rec {
+  pname = "agenix";
+  version = "0.15.0";
+  src = replaceVars ./agenix.sh {
+    inherit ageBin version;
+    jqBin = "${jq}/bin/jq";
+    nixInstantiate = "${nix}/bin/nix-instantiate";
+    mktempBin = "${mktemp}/bin/mktemp";
+    diffBin = "${diffutils}/bin/diff";
+  };
+  dontUnpack = true;
+  doInstallCheck = true;
+  installCheckInputs = [ shellcheck ];
+  postInstallCheck = ''
+    shellcheck ${bin}
+    ${bin} -h | grep ${version}
+
+    test_tmp=$(mktemp -d 2>/dev/null || mktemp -d -t 'mytmpdir')
+    export HOME="$test_tmp/home"
+    export NIX_STORE_DIR="$test_tmp/nix/store"
+    export NIX_STATE_DIR="$test_tmp/nix/var"
+    mkdir -p "$HOME" "$NIX_STORE_DIR" "$NIX_STATE_DIR"
+    function cleanup {
+      rm -rf "$test_tmp"
+    }
+    trap "cleanup" 0 2 3 15
+
+    mkdir -p $HOME/.ssh
+    cp -r "${./example}" $HOME/secrets
+    chmod -R u+rw $HOME/secrets
+    (
+    umask u=rw,g=r,o=r
+    cp ${./example_keys/user1.pub} $HOME/.ssh/id_ed25519.pub
+    chown $UID $HOME/.ssh/id_ed25519.pub
+    )
+    (
+    umask u=rw,g=,o=
+    cp ${./example_keys/user1} $HOME/.ssh/id_ed25519
+    chown $UID $HOME/.ssh/id_ed25519
+    )
+
+    cd $HOME/secrets
+    test $(${bin} -d secret1.age) = "hello"
+  '';
+
+  installPhase = ''
+    install -D $src ${bin}
+  '';
+
+  meta.description = "age-encrypted secrets for NixOS";
+}

pkgs/agenix/example/-leading-hyphen-filename.age

@@ -0,0 +1,7 @@
+age-encryption.org/v1
+-> ssh-ed25519 V3XmEA zirqdzZZ1E+sedBn7fbEHq4ntLEkokZ4GctarBBOHXY
+Rvs5YHaAUeCZyNwPedubPcHClWYIuXXWA5zadXPWY6w
+-> ssh-ed25519 KLPP8w BVp4rDkOYSQyn8oVeHFeinSqW+pdVtxBF9+5VM1yORY
+bMwppAi8Nhz0328taU4AzUkTVyWtSLvFZG6c5W/Fs78
+--- xCbqLhXAcOziO2wmbjTiSQfZvt5Rlsc4SCvF+iEzpQA
+<EFBFBD>KB<EFBFBD><EFBFBD>/<2F>Z<><5A>r<EFBFBD>%
<01><>4<EFBFBD><34><EFBFBD>Mq5<71><35>_<EFBFBD><5F>ݒ<><DD92><EFBFBD><EFBFBD><EFBFBD>11ܨqM;& <20><>Lr<4C><72><EFBFBD>f<EFBFBD><66><EFBFBD>]>N

pkgs/agenix/example/armored-secret.age

@@ -0,0 +1,7 @@
+-----BEGIN AGE ENCRYPTED FILE-----
+YWdlLWVuY3J5cHRpb24ub3JnL3YxCi0+IHNzaC1lZDI1NTE5IFYzWG1FQSBpZkZW
+aFpLNnJxc0VUMHRmZ2dZS0pjMGVENnR3OHd5K0RiT1RjRUhibFZBCnN5UG5vUjA3
+SXpsNGtiVUw4T0tIVFo5Wkk5QS9NQlBndzVvektiQ0ozc0kKLS0tIGxyY1Q4dEZ1
+VGZEanJyTFNta2JNRmpZb2FnK2JyS1hSVml1UGdMNWZKQXMKYla+wTXcRedyZoEb
+LVWaSx49WoUTU0KBPJg9RArxaeC23GoCDzR/aM/1DvYU
+-----END AGE ENCRYPTED FILE-----

pkgs/agenix/example/passwordfile-user1.age

@@ -0,0 +1,9 @@
+age-encryption.org/v1
+-> ssh-ed25519 KLPP8w s1DYZRlZuSsyhmZCF1lFB+E9vB8bZ/+ZhBRlx8nprwE
+nmYVCsVBrX2CFXXPU+D+bbkkIe/foofp+xoUrg9DHZw
+-> ssh-ed25519 V3XmEA Pwv3oCwcY0DX8rY48UNfsj9RumWsn4dbgorYHCwObgI
+FKxRYkL3JHtJxUwymWDF0rAtJ33BivDI6IfPsfumM90
+-> V'v(/u$-grease em/Vgf 2qDuk
+7I3iiQLPGi1COML9u/JeYkr7EqbSLoU
+--- 57WJRigUGtmcObrssS3s4PvmR8wgh1AOC/ijJn1s3xI
+<EFBFBD>'K<>ƷY&<26>7G<37>O<EFBFBD><4F>Fj
<13>k<EFBFBD>X<EFBFBD><58>BnuJ<75><4A>:9<>(<><7F><EFBFBD>X<EFBFBD>#<23>A<EFBFBD><41><EFBFBD><EFBFBD>ڧj<DAA7>,<02>_<17><><EFBFBD>?<3F>Z<EFBFBD><17>v<EFBFBD><76>V<EFBFBD>96]oks~%<25>c	<04>e^C<>%JQ5<51><H<>z}<7D>C<EFBFBD>,<2C>p<EFBFBD><70>*!W<><57><EFBFBD>A<EFBFBD><41><EFBFBD>҅dC<15>K)<10><>-<2D>y

pkgs/agenix/example/secret2.age

@@ -0,0 +1,5 @@
+age-encryption.org/v1
+-> ssh-ed25519 V3XmEA OB4+1FbPhQ3r6iGksM7peWX5it8NClpXIq/o5nnP7GA
+FmHVUj+A5i5+bDFgySQskmlvynnosJiWUTJmBRiNA9I
+--- tP+3mFVtd7ogVu1Lkboh55zoi5a77Ht08Uc/QuIviv4
+<EFBFBD><EFBFBD>X<EFBFBD>{<7B><>O<EFBFBD><4F><1F><04>tMXx<58>vӪ(<28>I<EFBFBD>myP<79><50><EFBFBD><EFBFBD>+3<>S3i

pkgs/agenix/example/secrets.nix

@@ -0,0 +1,23 @@
+let
+  user1 = "ssh-ed25519 AAAAC3NzaC1lZDI1NTE5AAAAIL0idNvgGiucWgup/mP78zyC23uFjYq0evcWdjGQUaBH";
+  system1 = "ssh-ed25519 AAAAC3NzaC1lZDI1NTE5AAAAIPJDyIr/FSz1cJdcoW69R+NrWzwGK/+3gJpqD1t8L2zE";
+in
+{
+  "secret1.age".publicKeys = [
+    user1
+    system1
+  ];
+  "secret2.age".publicKeys = [ user1 ];
+  "passwordfile-user1.age".publicKeys = [
+    user1
+    system1
+  ];
+  "-leading-hyphen-filename.age".publicKeys = [
+    user1
+    system1
+  ];
+  "armored-secret.age" = {
+    publicKeys = [ user1 ];
+    armor = true;
+  };
+}

pkgs/agenix/example_keys/system1

@@ -0,0 +1,7 @@
+-----BEGIN OPENSSH PRIVATE KEY-----
+b3BlbnNzaC1rZXktdjEAAAAABG5vbmUAAAAEbm9uZQAAAAAAAAABAAAAMwAAAAtzc2gtZW
+QyNTUxOQAAACDyQ8iK/xUs9XCXXKFuvUfja1s8Biv/t4Caag9bfC9sxAAAAJA3yvCWN8rw
+lgAAAAtzc2gtZWQyNTUxOQAAACDyQ8iK/xUs9XCXXKFuvUfja1s8Biv/t4Caag9bfC9sxA
+AAAEA+J2V6AG1NriAIvnNKRauIEh1JE9HSdhvKJ68a5Fm0w/JDyIr/FSz1cJdcoW69R+Nr
+WzwGK/+3gJpqD1t8L2zEAAAADHJ5YW50bUBob21lMQE=
+-----END OPENSSH PRIVATE KEY-----

pkgs/agenix/example_keys/system1.pub

@@ -0,0 +1 @@
+ssh-ed25519 AAAAC3NzaC1lZDI1NTE5AAAAIPJDyIr/FSz1cJdcoW69R+NrWzwGK/+3gJpqD1t8L2zE

pkgs/agenix/example_keys/user1

@@ -0,0 +1,7 @@
+-----BEGIN OPENSSH PRIVATE KEY-----
+b3BlbnNzaC1rZXktdjEAAAAABG5vbmUAAAAEbm9uZQAAAAAAAAABAAAAMwAAAAtzc2gtZW
+QyNTUxOQAAACC9InTb4BornFoLqf5j+/M8gtt7hY2KtHr3FnYxkFGgRwAAAJC2JJ8htiSf
+IQAAAAtzc2gtZWQyNTUxOQAAACC9InTb4BornFoLqf5j+/M8gtt7hY2KtHr3FnYxkFGgRw
+AAAEDxt5gC/s53IxiKAjfZJVCCcFIsdeERdIgbYhLO719+Kb0idNvgGiucWgup/mP78zyC
+23uFjYq0evcWdjGQUaBHAAAADHJ5YW50bUBob21lMQE=
+-----END OPENSSH PRIVATE KEY-----

pkgs/agenix/example_keys/user1.pub

@@ -0,0 +1 @@
+ssh-ed25519 AAAAC3NzaC1lZDI1NTE5AAAAIL0idNvgGiucWgup/mP78zyC23uFjYq0evcWdjGQUaBH

pkgs/agenix/update.sh

@@ -0,0 +1,23 @@
+#!/bin/sh
+
+set -e
+
+# All operations are done relative to root
+GITROOT=$(git rev-parse --show-toplevel)
+cd "$GITROOT"
+
+REVISION=${1:-main}
+
+TMPCLONE=$(mktemp -d)
+trap "rm -rf ${TMPCLONE}" EXIT
+
+git clone https://github.com/ryantm/agenix.git --revision="$REVISION" "$TMPCLONE" --depth=1
+
+cp "${TMPCLONE}/pkgs/agenix.sh" pkgs/agenix/agenix.sh
+cp "${TMPCLONE}/pkgs/agenix.nix" pkgs/agenix/default.nix
+sed -i 's#../example#./example#' pkgs/agenix/default.nix
+
+cp "${TMPCLONE}/example/"* pkgs/agenix/example/
+cp "${TMPCLONE}/example_keys/"* pkgs/agenix/example_keys/
+
+cp "${TMPCLONE}/modules/age.nix" m/module/agenix.nix

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

@@ -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

@@ -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/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

@@ -27,10 +27,10 @@ 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;

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

@@ -3,7 +3,6 @@
 , lib
 , fetchFromGitHub
 , pkg-config
-, perl
 , numactl
 , hwloc
 , boost
@@ -11,22 +10,23 @@
 , ovni
 , nosv
 , clangOmpss2
+, which
 , 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=";
     };
   };
 
@@ -59,6 +59,7 @@ in
     doCheck = false;
     nativeCheckInputs = [
       clangOmpss2
+      which
     ];
 
     # The "bindnow" flags are incompatible with ifunc resolution mechanism. We

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/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=";
+      hash = "sha256-0l2ryIyWNiZqeYdVlnj/WnQGS3xFCY4ICG8JedX424w=";
-    } // { shortRev = "a73afcf"; };
+    } // { 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/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/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/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/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/taopencl/default.nix

@@ -0,0 +1,46 @@
+{
+  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" ];
+})

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/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
+  ''