Add stdenv to llvm-intel passthru

Doesn't work with neither spirv nor nvptx

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,
-        "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"
       }
     },
     "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";
-    agenix.url = "github:ryantm/agenix";
-    agenix.inputs.nixpkgs.follows = "nixpkgs";
+    nixpkgs.url = "github:NixOS/nixpkgs/nixos-25.11";
   };
 
-  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

keys.nix

@@ -22,8 +22,9 @@ rec {
     storage    = [ bay lake2 ];
     monitor    = [ hut ];
     login      = [ apex ];
+    services   = [ tent ];
 
-    system     = storage ++ monitor ++ login;
+    system     = storage ++ monitor ++ login ++ services;
     safe       = system ++ compute;
     all        = safe ++ playground;
   };

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/apex/nfs.nix

@@ -7,7 +7,7 @@
     mountdPort = 4002;
     statdPort = 4000;
     exports = ''
-      /home 10.0.40.0/24(rw,async,no_subtree_check,no_root_squash)
+      /home 10.0.40.0/21(rw,async,no_subtree_check,no_root_squash)
       /home 10.106.0.0/24(rw,async,no_subtree_check,no_root_squash)
     '';
   };
@@ -15,19 +15,19 @@
     # Check with `rpcinfo -p`
     extraCommands = ''
       # Accept NFS traffic from compute nodes but not from the outside
-      iptables -A nixos-fw -p tcp -s 10.0.40.0/24 --dport 111   -j nixos-fw-accept
-      iptables -A nixos-fw -p tcp -s 10.0.40.0/24 --dport 2049  -j nixos-fw-accept
-      iptables -A nixos-fw -p tcp -s 10.0.40.0/24 --dport 4000  -j nixos-fw-accept
-      iptables -A nixos-fw -p tcp -s 10.0.40.0/24 --dport 4001  -j nixos-fw-accept
-      iptables -A nixos-fw -p tcp -s 10.0.40.0/24 --dport 4002  -j nixos-fw-accept
-      iptables -A nixos-fw -p tcp -s 10.0.40.0/24 --dport 20048 -j nixos-fw-accept
+      iptables -A nixos-fw -p tcp -s 10.0.40.0/21 --dport 111   -j nixos-fw-accept
+      iptables -A nixos-fw -p tcp -s 10.0.40.0/21 --dport 2049  -j nixos-fw-accept
+      iptables -A nixos-fw -p tcp -s 10.0.40.0/21 --dport 4000  -j nixos-fw-accept
+      iptables -A nixos-fw -p tcp -s 10.0.40.0/21 --dport 4001  -j nixos-fw-accept
+      iptables -A nixos-fw -p tcp -s 10.0.40.0/21 --dport 4002  -j nixos-fw-accept
+      iptables -A nixos-fw -p tcp -s 10.0.40.0/21 --dport 20048 -j nixos-fw-accept
       # Same but UDP
-      iptables -A nixos-fw -p udp -s 10.0.40.0/24 --dport 111   -j nixos-fw-accept
-      iptables -A nixos-fw -p udp -s 10.0.40.0/24 --dport 2049  -j nixos-fw-accept
-      iptables -A nixos-fw -p udp -s 10.0.40.0/24 --dport 4000  -j nixos-fw-accept
-      iptables -A nixos-fw -p udp -s 10.0.40.0/24 --dport 4001  -j nixos-fw-accept
-      iptables -A nixos-fw -p udp -s 10.0.40.0/24 --dport 4002  -j nixos-fw-accept
-      iptables -A nixos-fw -p udp -s 10.0.40.0/24 --dport 20048 -j nixos-fw-accept
+      iptables -A nixos-fw -p udp -s 10.0.40.0/21 --dport 111   -j nixos-fw-accept
+      iptables -A nixos-fw -p udp -s 10.0.40.0/21 --dport 2049  -j nixos-fw-accept
+      iptables -A nixos-fw -p udp -s 10.0.40.0/21 --dport 4000  -j nixos-fw-accept
+      iptables -A nixos-fw -p udp -s 10.0.40.0/21 --dport 4001  -j nixos-fw-accept
+      iptables -A nixos-fw -p udp -s 10.0.40.0/21 --dport 4002  -j nixos-fw-accept
+      iptables -A nixos-fw -p udp -s 10.0.40.0/21 --dport 20048 -j nixos-fw-accept
 
       # Accept NFS traffic from wg0
       iptables -A nixos-fw -p tcp -i wg0 -s 10.106.0.0/24 --dport 111   -j nixos-fw-accept

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;
     } ];
@@ -35,7 +35,7 @@
         # Accept monitoring requests from hut
         iptables -A nixos-fw -p tcp -s hut -m multiport --dport 9283,9002 -j nixos-fw-accept
         # Accept all Ceph traffic from the local network
-        iptables -A nixos-fw -p tcp -s 10.0.40.0/24 -m multiport --dport 3300,6789,6800:7568 -j nixos-fw-accept
+        iptables -A nixos-fw -p tcp -s 10.0.40.0/21 -m multiport --dport 3300,6789,6800:7568 -j nixos-fw-accept
       '';
     };
   };

m/common/base/agenix.nix

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

m/common/base/env.nix

@@ -1,11 +1,36 @@
-{ 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
+    cmake
+    ethtool
+    file
+    freeipmi
+    git
+    gnumake
+    home-manager
+    htop
+    ipmitool
+    ldns
+    lm_sensors
+    ncdu
+    nix-diff
+    nix-index
+    nix-output-monitor
+    nixfmt-tree
+    nixos-option
+    pciutils
+    perf
+    pv
+    ripgrep
+    tcpdump
+    tmux
+    tree
+    vim
+    wget
+
+    # From jungle overlay
+    nixgen
     osumb
   ];
 

m/common/base/users.nix

@@ -134,11 +134,12 @@
         home = "/home/Computational/varcila";
         description = "Vincent Arcila";
         group = "Computational";
-        hosts = [ "apex" "hut" "tent" "fox" ];
+        hosts = [ "apex" "hut" "tent" "fox" "owl1" "owl2" ];
         hashedPassword = "$6$oB0Tcn99DcM4Ch$Vn1A0ulLTn/8B2oFPi9wWl/NOsJzaFAWjqekwcuC9sMC7cgxEVb.Nk5XSzQ2xzYcNe5MLtmzkVYnRS1CqP39Y0";
         openssh.authorizedKeys.keys = [
           "ssh-ed25519 AAAAC3NzaC1lZDI1NTE5AAAAIKGt0ESYxekBiHJQowmKpfdouw0hVm3N7tUMtAaeLejK vincent@varch"
         ];
+        shell = pkgs.zsh;
       };
 
       pmartin1 = {
@@ -180,6 +181,45 @@
           "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"
+        ];
+      };
+
+      emonteir = {
+        uid = 9656;
+        isNormalUser = true;
+        home = "/home/Computational/emonteir";
+        description = "Erwin Royson Monteiro";
+        group = "Computational";
+        hosts = [ "apex" "fox" ];
+        hashedPassword = "$6$0mU88zd3ZuK5NiJQ$DFWL5RMLH6esQM5UyhBCiiNryw4lDDmvJp7Usz3tmevnsiSJr6u0RsUKAnR/K8GRBFrV1.GocrgNjKjik5GY//";
+        openssh.authorizedKeys.keys = [
+          "ssh-ed25519 AAAAC3NzaC1lZDI1NTE5AAAAIOKZKot/Y3F5Wq9pQIXlCbyvQuVVeWMCsAC96Nd+LTcG erwin@Oreo"
+        ];
+      };
+
+      ssanzmar = {
+        uid = 9657;
+        isNormalUser = true;
+        home = "/home/Computational/ssanzmar";
+        description = "Sergio Sanz Martínez";
+        group = "Computational";
+        hosts = [ "apex" "fox" ];
+        hashedPassword = "$6$HUjNDJeJMmNQ6M64$laXSOZcXg6o4v2r8Jm8Xj9kmqw7veCY32po3TVDPRR4WlyxvOeqwoKr4NjlUlPPpKN55Oot3ZYHi.9iNXsH5E1";
+        openssh.authorizedKeys.keys = [
+          "ssh-ed25519 AAAAC3NzaC1lZDI1NTE5AAAAIIELrsRRHXryrdA2ZBx5XmdGxL4DC5bmJydhBeTWQ0SQ sergio.sanz.martinez@estudiantat.upc.edu"
+        ];
+      };
     };
 
     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/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

@@ -17,6 +17,7 @@
     ./postgresql.nix
     ./nginx.nix
     ./p.nix
+    ./ompss2-timer.nix
     #./pxe.nix
   ];
 
@@ -44,7 +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/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/gitlab-runner.nix

@@ -51,6 +51,7 @@
           "/nix/store:/nix/store:ro"
           "/nix/var/nix/db:/nix/var/nix/db:ro"
           "/nix/var/nix/daemon-socket:/nix/var/nix/daemon-socket:ro"
+          "/var/run/postgresql/:/var/run/postgresql/"
         ];
         dockerExtraHosts = [
           # Required to pass the proxy via hut

m/hut/monitoring.nix

@@ -5,7 +5,7 @@
     ../module/slurm-exporter.nix
     ../module/meteocat-exporter.nix
     ../module/upc-qaire-exporter.nix
-    ./gpfs-probe.nix
+    ./ssh-robot-probes.nix
     ../module/nix-daemon-exporter.nix
   ];
 
@@ -111,6 +111,7 @@
             "127.0.0.1:${toString config.services.prometheus.exporters.smartctl.port}"
             "127.0.0.1:9341" # Slurm exporter
             "127.0.0.1:9966" # GPFS custom exporter
+            "127.0.0.1:9967" # SLURM custom exporter
             "127.0.0.1:9999" # Nix-daemon custom exporter
             "127.0.0.1:9929" # Meteocat custom exporter
             "127.0.0.1:9928" # UPC Qaire custom exporter

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";
-      hash = "sha256-ea5DzhYTzZ9TmqD+x95rdNdLbxPnBluqlYH2NmBYmc4=";
+      rev = "5f18335d14126d2fef134c0cd441771436f7dfa1";
+      hash = "sha256-s9VBF91sQ7hg9+lrwNFPYgoXTTyXaQcAulCiGJgWERo=";
     };
     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/hut/postgresql.nix

@@ -8,12 +8,14 @@
       { name = "anavarro"; ensureClauses.superuser = true; }
       { name = "rarias";   ensureClauses.superuser = true; }
       { name = "grafana"; }
+      { name = "gitlab-runner"; }
     ];
     authentication = ''
-      #type  database     DBuser    auth-method
-      local  perftestsdb  rarias    trust
-      local  perftestsdb  anavarro  trust
-      local  perftestsdb  grafana   trust
+      #type  database     DBuser         auth-method
+      local  perftestsdb  rarias         trust
+      local  perftestsdb  anavarro       trust
+      local  perftestsdb  grafana        trust
+      local  perftestsdb  gitlab-runner  trust
     '';
   };
 }

m/hut/sblame-probe.sh

@@ -0,0 +1,8 @@
+#!/bin/sh
+
+cat <<EOF
+HTTP/1.1 200 OK
+Content-Type: text/plain; version=0.0.4; charset=utf-8; escaping=values
+
+EOF
+ssh bsc015557@glogin2.bsc.es "timeout 3 command sblame -E"

m/hut/ssh-robot-probes.nix

@@ -6,6 +6,12 @@ let
       chmod +x $out
     ''
   ;
+  sblame-probe-script = pkgs.runCommand "sblame-probe.sh" { }
+    ''
+      cp ${./sblame-probe.sh} $out;
+      chmod +x $out
+    ''
+  ;
 in
 {
   # Use a new user to handle the SSH keys
@@ -28,4 +34,17 @@ in
       Group = "ssh-robot";
     };
   };
+
+  systemd.services.sblame-probe = {
+    description = "Daemon to report SLURM statistics via SSH";
+    path = [ pkgs.openssh pkgs.netcat ];
+    after = [ "network.target" ];
+    wantedBy = [ "default.target" ];
+    serviceConfig = {
+      Type = "simple";
+      ExecStart = "${pkgs.socat}/bin/socat TCP4-LISTEN:9967,fork EXEC:${sblame-probe-script}";
+      User = "ssh-robot";
+      Group = "ssh-robot";
+    };
+  };
 }

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;
     } ];
@@ -57,7 +57,7 @@
         # Accept monitoring requests from hut
         iptables -A nixos-fw -p tcp -s hut --dport 9002 -j nixos-fw-accept
         # Accept all Ceph traffic from the local network
-        iptables -A nixos-fw -p tcp -s 10.0.40.0/24 -m multiport --dport 3300,6789,6800:7568 -j nixos-fw-accept
+        iptables -A nixos-fw -p tcp -s 10.0.40.0/21 -m multiport --dport 3300,6789,6800:7568 -j nixos-fw-accept
       '';
     };
   };

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
-      # adopted by the external step, similar to tasks running in regular steps
-      # LaunchParameters=ulimit_pam_adopt
+      LaunchParameters=use_interactive_step
       SlurmdDebug=debug5
       #DebugFlags=Protocol,Cgroup
     '';

m/module/tc1-board.nix

@@ -0,0 +1,27 @@
+{ lib, pkgs, ... }:
+
+{
+  # Allow user access to FTDI USB device
+  services.udev.packages = lib.singleton (pkgs.writeTextFile {
+    # Needs to be < 73
+    name = "60-ftdi-tc1.rules";
+    text = ''
+      # Bus 003 Device 003: ID 0403:6011 Future Technology Devices International, Ltd FT4232H Quad HS USB-UART/FIFO IC
+      # Use := to make sure it doesn't get changed later
+      SUBSYSTEMS=="usb", ATTRS{idVendor}=="0403", ATTRS{idProduct}=="6011", MODE:="0666"
+    '';
+    destination = "/etc/udev/rules.d/60-ftdi-tc1.rules";
+  });
+
+  # Allow access to USB for docker in GitLab runner
+  services.gitlab-runner = {
+    services.gitlab-bsc-docker = {
+      registrationFlags = [
+        # We need raw access to the USB port to reboot the board
+        "--docker-devices /dev/bus/usb/003/003"
+        # And TTY access for the serial port
+        "--docker-devices /dev/ttyUSB2"
+      ];
+    };
+  };
+}

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/configuration.nix

@@ -16,6 +16,8 @@
     ../module/p.nix
     ../module/vpn-dac.nix
     ../module/hut-substituter.nix
+    ../module/tc1-board.nix
+    ../module/ceph.nix
   ];
 
   # Select the this using the ID to avoid mismatches
@@ -63,6 +65,13 @@
     fsType = "ext4";
   };
 
+  # Mount the NFS home
+  fileSystems."/nfs/home" = {
+    device = "10.106.0.30:/home";
+    fsType = "nfs";
+    options = [ "nfsvers=3" "rsize=1024" "wsize=1024" "cto" "nofail" ];
+  };
+
   # Make a /vault/$USER directory for each user.
   systemd.services.create-vault-dirs = let
     # Take only normal users in tent

m/tent/gitea.nix

@@ -1,4 +1,7 @@
 { config, lib, ... }:
+let
+  cfg = config.services.gitea;
+in
 {
   services.gitea = {
     enable = true;
@@ -26,5 +29,54 @@
         SENDMAIL_ARGS = "--";
       };
     };
+
+    dump = {
+      enable = false; # Do not enable NixOS module, use our custom systemd script below
+      backupDir = "/vault/backup/gitea";
+    };
   };
+
+  systemd.services.gitea-backup = let
+    exe = lib.getExe cfg.package;
+  in {
+    description = "Gitea daily backup";
+    after = [ "gitea.service" ];
+    path = [ cfg.package ];
+
+    environment = {
+      USER = cfg.user;
+      HOME = cfg.stateDir;
+      GITEA_WORK_DIR = cfg.stateDir;
+      GITEA_CUSTOM = cfg.customDir;
+    };
+
+    serviceConfig = {
+      Type = "oneshot";
+      User = cfg.user;
+      WorkingDirectory = cfg.dump.backupDir;
+    };
+
+    script = ''
+      name="gitea-dump-$(date +%a).${cfg.dump.type}"
+      ${exe} dump --type ${cfg.dump.type} --file - >"$name.tmp"
+      mv "$name.tmp" "$name"
+      cp "$name" "/ceph/backup/gitea/$name"
+    '';
+  };
+
+  # Create also the /ceph directories if needed
+  systemd.tmpfiles.rules = [
+    "d /ceph/backup/gitea/ 0750 ${cfg.user} ${cfg.group} - -"
+    "z /ceph/backup/gitea/ 0750 ${cfg.user} ${cfg.group} - -"
+  ];
+
+  systemd.timers.gitea-backup = {
+    description = "Update timer for gitea-backup";
+    partOf = [ "gitea-backup.service" ];
+    wantedBy = [ "timers.target" ];
+    timerConfig.OnCalendar = cfg.dump.interval;
+  };
+
+  # Allow gitea user to send mail
+  users.users.gitea.extraGroups = [ "mail-robot" ];
 }

m/tent/gitlab-runner.nix

@@ -43,6 +43,7 @@
         registrationFlags = [
           # Increase build log length to 64 MiB
           "--output-limit 65536"
+          "--docker-network-mode host"
         ];
         preBuildScript = pkgs.writeScript "setup-container" ''
           mkdir -p -m 0755 /nix/var/log/nix/drvs

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";
-      hash = "sha256-ea5DzhYTzZ9TmqD+x95rdNdLbxPnBluqlYH2NmBYmc4=";
+      rev = "5f18335d14126d2fef134c0cd441771436f7dfa1";
+      hash = "sha256-s9VBF91sQ7hg9+lrwNFPYgoXTTyXaQcAulCiGJgWERo=";
     };
     buildInputs = [ pkgs.hugo ];
     buildPhase = ''

m/weasel/configuration.nix

@@ -25,7 +25,7 @@
       address = "10.0.40.6";
       prefixLength = 24;
     } ];
-    interfaces.ibp5s0.ipv4.addresses = [ {
+    interfaces.ibs785.ipv4.addresses = [ {
       address = "10.0.42.6";
       prefixLength = 24;
     } ];

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 { };
@@ -18,7 +19,13 @@ let
     cudainfo = prev.callPackage ./pkgs/cudainfo/default.nix { };
     #extrae = callPackage ./pkgs/extrae/default.nix { }; # Broken and outdated
     gpi-2 = callPackage ./pkgs/gpi-2/default.nix { };
-    intelPackages_2023 = callPackage ./pkgs/intel-oneapi/2023.nix { };
+    gromacs = callPackage ./pkgs/gromacs/default.nix { enableSYCL = true; };
+    wrapIntel = callPackage ./pkgs/intel-oneapi/common/wrapper.nix { };
+    intel-apt = callPackage ./pkgs/intel-oneapi/deb/packages.nix { };
+    intelPackages_2023 = callPackage ./pkgs/intel-oneapi/deb/2023.nix { };
+    intelPackages_2024 = final.intel-apt.hpckit_2024;
+    intelPackages_2025 = final.intel-apt.hpckit_2025;
+    intelPackages = final.intelPackages_2025;
     jemallocNanos6 = callPackage ./pkgs/nanos6/jemalloc.nix { };
     # FIXME: Extend this to all linuxPackages variants. Open problem, see:
     # https://discourse.nixos.org/t/whats-the-right-way-to-make-a-custom-kernel-module-available/4636
@@ -28,28 +35,35 @@ let
     linuxPackages_latest = prev.linuxPackages_latest.extend(_final: _prev: {
       amd-uprof-driver = _prev.callPackage ./pkgs/amd-uprof/driver.nix { };
     });
+    llvm-intel-unwrapped = callPackage ./pkgs/intel-oneapi/open/default.nix { };
+    llvm-intel = final.wrapIntel { cc = final.llvm-intel-unwrapped; };
     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 { };
-    # Broken because of pkgsStatic.libcap
-    # See: https://github.com/NixOS/nixpkgs/pull/268791
-    #nix-wrap = callPackage ./pkgs/nix-wrap/default.nix { };
+    nixgen = callPackage ./pkgs/nixgen/default.nix { };
+    nix-portable = callPackage ./pkgs/nix-portable/default.nix { };
+    nix-wrap = callPackage ./pkgs/nix-wrap/default.nix { };
     nodes = callPackage ./pkgs/nodes/default.nix { };
     nosv = callPackage ./pkgs/nosv/default.nix { };
+    oneMath = callPackage ./pkgs/onemath/default.nix { };
     openmp = callPackage ./pkgs/llvm-ompss2/openmp.nix { monorepoSrc = final.clangOmpss2Unwrapped.src; version = final.clangOmpss2Unwrapped.version; };
     openmpv = final.openmp.override { enableNosv = true; enableOvni = true; };
     osumb = callPackage ./pkgs/osu/default.nix { };
     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; };
@@ -57,6 +71,8 @@ let
     stdenvClangOmpss2NodesOmpv = final.stdenv.override { cc = final.clangOmpss2NodesOmpv; allowedRequisites = null; };
     tagaspi = callPackage ./pkgs/tagaspi/default.nix { };
     tampi = callPackage ./pkgs/tampi/default.nix { };
+    tasycl = callPackage ./pkgs/tasycl/default.nix { };
+    tasycl-acpp = callPackage ./pkgs/tasycl/default.nix { useIntel = false; };
     upc-qaire-exporter = prev.callPackage ./pkgs/upc-qaire-exporter/default.nix { };
     wxparaver = callPackage ./pkgs/paraver/default.nix { };
   };
@@ -66,6 +82,13 @@ let
     #sigsegv = callPackage ./test/reproducers/sigsegv.nix { };
     hello-c = callPackage ./test/compilers/hello-c.nix { };
     hello-cpp = callPackage ./test/compilers/hello-cpp.nix { };
+    hello-sycl = callPackage ./test/compilers/hello-sycl.nix { };
+    hello-syclompss = callPackage ./test/compilers/icpx-ompss2.nix { };
+    hello-sycl-pocl = (callPackage ./test/compilers/hello-sycl.nix { }).withPocl;
+    hello-sycl-intel = (callPackage ./test/compilers/hello-sycl.nix { }).withIntel;
+    hello-syclompss-pocl = (callPackage ./test/compilers/icpx-ompss2.nix { }).withPocl;
+    hello-syclompss-intel = (callPackage ./test/compilers/icpx-ompss2.nix { }).withIntel;
+
     lto = callPackage ./test/compilers/lto.nix { };
     asan = callPackage ./test/compilers/asan.nix { };
     intel2023-icx-c   = hello-c.override   { stdenv = final.intelPackages_2023.stdenv; };
@@ -75,6 +98,17 @@ let
     intel2023-ifort   = callPackage ./test/compilers/hello-f.nix {
       stdenv = final.intelPackages_2023.stdenv-ifort;
     };
+    intel2024-icx-c   = hello-c.override   { stdenv = final.intelPackages_2024.stdenv; };
+    intel2025-icx-c   = hello-c.override   { stdenv = final.intelPackages_2025.stdenv; };
+    intel2024-icx-cpp = hello-cpp.override { stdenv = final.intelPackages_2024.stdenv; };
+    intel2025-icx-cpp = hello-cpp.override { stdenv = final.intelPackages_2025.stdenv; };
+    # intel2023-sycl    = hello-sycl.override { intelPackages = final.intelPackages_2023; }; # broken
+    intel2024-sycl    = hello-sycl.override { intelPackages = final.intelPackages_2024; };
+    intel2025-sycl    = hello-sycl.override { intelPackages = final.intelPackages_2025; };
+    oneapi-c          = hello-c.override    { inherit (final.llvm-intel) stdenv; };
+    oneapi-cpp        = hello-cpp.override  { inherit (final.llvm-intel) stdenv; };
+    oneapi-sycl       = hello-sycl.override { intelPackages = final.llvm-intel; };
+    oneapi-syclompss  = hello-syclompss.override { intelPackages = final.llvm-intel; };
     clangOmpss2-lto   = lto.override       { stdenv = final.stdenvClangOmpss2Nanos6; };
     clangOmpss2-asan  = asan.override      { stdenv = final.stdenvClangOmpss2Nanos6; };
     clangOmpss2-task  = callPackage ./test/compilers/ompss2.nix {
@@ -92,20 +126,31 @@ let
     clangNosvOmpv-ld = callPackage ./test/compilers/clang-openmp-ld.nix {
       stdenv = final.stdenvClangOmpss2NodesOmpv;
     };
+
+    ocl-build = callPackage ./test/compilers/opencl.nix { };
+    ocl-build-noicd = callPackage ./test/compilers/opencl.nix { ocl-icd = final.pocl-noicd; };
+
+    pocl = callPackage ./test/compilers/pocl.nix { };
+    ocl-run-pocl = ocl-build.test-icd;
+    ocl-run-pocl-noicd = ocl-build-noicd.test-noicd;
+
+    sycl-ls = callPackage ./test/compilers/sycl-ls.nix { };
   };
 
   # For now, only build toplevel packages in CI/Hydra
   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 { } ''
@@ -125,7 +170,7 @@ 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

@@ -1,8 +1,6 @@
 { stdenv
 , lib
-, curl
-, cacert
-, runCommandLocal
+, fetchurl
 , autoPatchelfHook
 , elfutils
 , glib
@@ -26,26 +24,22 @@ let
   tarball = "AMDuProf_Linux_x64_${version}.tar.bz2";
 
   # NOTE: Remember to update the radare2 patch below if AMDuProfPcm changes.
-  uprofSrc = runCommandLocal tarball {
-    nativeBuildInputs = [ curl ];
-    outputHash = "sha256-j9gxcBcIg6Zhc5FglUXf/VV9bKSo+PAKeootbN7ggYk=";
-    SSL_CERT_FILE="${cacert}/etc/ssl/certs/ca-bundle.crt";
-  } ''
-    curl \
-    -o $out \
-    'https://download.amd.com/developer/eula/uprof/uprof-5-1/${tarball}' \
-    -H 'User-Agent: Mozilla/5.0 (X11; Linux x86_64; rv:139.0) Gecko/20100101 Firefox/139.0' \
-    -H 'Accept: text/html,application/xhtml+xml,application/xml;q=0.9,*/*;q=0.8' \
-    -H 'Accept-Language: en-US,en;q=0.5' \
-    -H 'Accept-Encoding: gzip, deflate, br, zstd' \
-    -H 'Referer: https://www.amd.com/' 2>&1 | tr '\r' '\n'
-  '';
+  src = fetchurl {
+    url = "https://download.amd.com/developer/eula/uprof/uprof-5-1/${tarball}";
+    sha256 = "sha256-j9gxcBcIg6Zhc5FglUXf/VV9bKSo+PAKeootbN7ggYk=";
+    curlOptsList = [
+      "-H" "User-Agent: Mozilla/5.0 (X11; Linux x86_64; rv:139.0) Gecko/20100101 Firefox/139.0"
+      "-H" "'Accept: text/html,application/xhtml+xml,application/xml;q=0.9,*/*;q=0.8'"
+      "-H" "Accept-Language: en-US,en;q=0.5"
+      "-H" "Accept-Encoding: gzip, deflate, br, zstd"
+      "-H" "Referer: https://www.amd.com/"
+    ];
+  };
 
 in
   stdenv.mkDerivation {
     pname = "AMD-uProf";
-    inherit version;
-    src = uprofSrc;
+    inherit src version;
     dontStrip = true;
     phases = [ "installPhase" "fixupPhase" ];
     nativeBuildInputs = [ autoPatchelfHook radare2 ];
@@ -90,7 +84,7 @@ 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/babeltrace/default.nix

@@ -0,0 +1,25 @@
+{ stdenv, lib, fetchurl, pkg-config, glib, libuuid, popt, elfutils, swig4, python3 }:
+
+stdenv.mkDerivation rec {
+  name = "babeltrace-1.5.8";
+
+  src = fetchurl {
+    url = "https://www.efficios.com/files/babeltrace/${name}.tar.bz2";
+    sha256 = "1hkg3phnamxfrhwzmiiirbhdgckzfkqwhajl0lmr1wfps7j47wcz";
+  };
+
+  nativeBuildInputs = [ pkg-config ];
+  buildInputs = [ glib libuuid popt elfutils swig4 python3 ];
+
+  meta = with lib; {
+    description = "Command-line tool and library to read and convert LTTng tracefiles";
+    homepage = "https://www.efficios.com/babeltrace";
+    license = licenses.mit;
+    platforms = platforms.linux;
+    maintainers = [ maintainers.bjornfor ];
+  };
+
+  configureFlags = [
+    "--enable-python-bindings"
+  ];
+}

pkgs/babeltrace2/default.nix

@@ -0,0 +1,34 @@
+{
+  stdenv
+, fetchurl
+, pkg-config
+, glib
+, libuuid
+, popt
+, elfutils
+, python3
+, swig4
+, ncurses
+, breakpointHook
+}:
+
+stdenv.mkDerivation rec {
+  pname = "babeltrace2";
+  version = "2.0.3";
+
+  src = fetchurl {
+    url = "https://www.efficios.com/files/babeltrace/${pname}-${version}.tar.bz2";
+    sha256 = "1804pyq7fz6rkcz4r1abkkn0pfnss13m6fd8if32s42l4lajadm5";
+  };
+
+  enableParallelBuilding = true;
+  nativeBuildInputs = [ pkg-config ];
+  buildInputs = [ glib libuuid popt elfutils python3 swig4 ncurses breakpointHook ];
+  hardeningDisable = [ "all" ];
+
+  configureFlags = [
+    "--enable-python-plugins"
+    "--enable-python-bindings"
+  ];
+
+}

pkgs/clsync/default.nix

@@ -0,0 +1,54 @@
+{ stdenv
+, fetchFromGitHub
+, libcap
+, libcgroup
+, libmhash
+, doxygen
+, graphviz
+, autoreconfHook
+, pkg-config
+, glib
+}:
+
+let
+  version = "0.4.4";
+
+in stdenv.mkDerivation {
+  pname = "clsync";
+  inherit version;
+
+  src = fetchFromGitHub {
+    repo = "clsync";
+    owner = "clsync";
+    rev = "v${version}";
+    sha256 = "0sdiyfwp0iqr6l1sirm51pirzmhi4jzgky5pzfj24nn71q3fwqgz";
+  };
+
+  outputs = [ "out" "dev" ];
+
+  buildInputs = [
+    autoreconfHook
+    libcap
+    libcgroup
+    libmhash
+    doxygen
+    graphviz
+    pkg-config
+    glib
+  ];
+
+  preConfigure = ''
+    ./configure --help
+  '';
+
+  enableParallelBuilding = true;
+
+  meta = with lib; {
+    description = "File live sync daemon based on inotify/kqueue/bsm (Linux, FreeBSD), written in GNU C";
+    homepage = "https://github.com/clsync/clsync";
+    license = licenses.gpl3Plus;
+    maintainers = [ ];
+    platforms = platforms.linux;
+  };
+}
+

pkgs/cn6/default.nix

@@ -0,0 +1,51 @@
+{
+  stdenv
+, lib
+, babeltrace2
+, pkg-config
+, uthash
+, enableTest ? false
+, mpi ? null
+, clangOmpss2 ? null
+, tampi ? null
+}:
+
+with lib;
+
+assert (enableTest -> (mpi != null));
+assert (enableTest -> (clangOmpss2 != null));
+assert (enableTest -> (tampi != null));
+
+stdenv.mkDerivation rec {
+  pname = "cn6";
+  version = "${src.shortRev}";
+
+  buildInputs = [
+    babeltrace2
+    pkg-config
+    uthash
+    mpi
+  ] ++ optionals (enableTest) [ mpi clangOmpss2 tampi ];
+
+  src = builtins.fetchGit {
+    url = "ssh://git@bscpm04.bsc.es/rarias/cn6.git";
+    ref = "master";
+    rev = "c72c3b66b720c2a33950f536fc819051c8f20a69";
+  };
+
+  makeFlags = [ "PREFIX=$(out)" ];
+
+  postBuild = optionalString (enableTest) ''
+    (
+      cd test
+      make timediff timediff_mpi
+    )
+  '';
+
+  postInstall = optionalString (enableTest) ''
+    (
+      cd test
+      cp timediff timediff_mpi sync-err.sh $out/bin/
+    )
+  '';
+}

pkgs/cpuid/default.nix

@@ -0,0 +1,21 @@
+{
+  stdenv
+, perl # For the pod2man command
+}:
+
+stdenv.mkDerivation rec {
+  version = "20201006";
+  pname = "cpuid";
+
+  buildInputs = [ perl ];
+
+  # Replace /usr install directory for $out
+  postPatch = ''
+    sed -i "s@/usr@$out@g" Makefile
+  '';
+
+  src = builtins.fetchTarball {
+    url = "http://www.etallen.com/cpuid/${pname}-${version}.src.tar.gz";
+    sha256 = "04qhs938gs1kjxpsrnfy6lbsircsprfyh4db62s5cf83a1nrwn9w";
+  };
+}

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/dummy/default.nix

@@ -0,0 +1,25 @@
+{
+  stdenv
+}:
+
+stdenv.mkDerivation rec {
+  name = "dummy";
+
+  src = null;
+  dontUnpack = true;
+  dontBuild = true;
+
+  programPath = "/bin/dummy";
+
+  installPhase = ''
+    mkdir -p $out/bin
+
+    cat > $out/bin/dummy <<EOF
+    #!/bin/sh
+    echo Hello worlda!
+
+    EOF
+
+    chmod +x $out/bin/dummy
+  '';
+}

pkgs/fftw/default.nix

@@ -0,0 +1,58 @@
+{ fetchurl, stdenv, lib, llvmPackages ? null, precision ? "double", perl, mpi }:
+
+with lib;
+
+assert stdenv.cc.isClang -> llvmPackages != null;
+assert elem precision [ "single" "double" "long-double" "quad-precision" ];
+
+let
+  version = "3.3.8";
+  withDoc = stdenv.cc.isGNU;
+in
+
+stdenv.mkDerivation {
+  name = "fftw-${precision}-${version}";
+
+  src = fetchurl {
+    urls = [
+      "http://fftw.org/fftw-${version}.tar.gz"
+      "ftp://ftp.fftw.org/pub/fftw/fftw-${version}.tar.gz"
+    ];
+    sha256 = "00z3k8fq561wq2khssqg0kallk0504dzlx989x3vvicjdqpjc4v1";
+  };
+
+  outputs = [ "out" "dev" "man" ]
+    ++ optional withDoc "info"; # it's dev-doc only
+  outputBin = "dev"; # fftw-wisdom
+
+  buildInputs = [ mpi ]
+  ++ lib.optionals stdenv.cc.isClang [
+    # TODO: This may mismatch the LLVM version sin the stdenv, see #79818.
+    llvmPackages.openmp
+  ];
+
+  configureFlags =
+    [ "--enable-shared"
+      "--enable-threads"
+      "--enable-mpi"
+      "--disable-openmp"
+    ]
+    ++ optional (precision != "double") "--enable-${precision}"
+    # all x86_64 have sse2
+    # however, not all float sizes fit
+    ++ optional (stdenv.isx86_64 && (precision == "single" || precision == "double") )  "--enable-sse2"
+    # doc generation causes Fortran wrapper generation which hard-codes gcc
+    ++ optional (!withDoc) "--disable-doc";
+
+  enableParallelBuilding = true;
+
+  checkInputs = [ perl ];
+
+  meta = with lib; {
+    description = "Fastest Fourier Transform in the West library";
+    homepage = "http://www.fftw.org/";
+    license = licenses.gpl2Plus;
+    maintainers = [ maintainers.spwhitt ];
+    platforms = platforms.unix;
+  };
+}

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/groff/0001-Fix-cross-compilation-by-looking-for-ar.patch

@@ -0,0 +1,46 @@
+From 1454525f70b43a6957b7c9e1870e997368787da3 Mon Sep 17 00:00:00 2001
+From: Samuel Dionne-Riel <samuel@dionne-riel.com>
+Date: Fri, 8 Nov 2019 21:59:21 -0500
+Subject: [PATCH] Fix cross-compilation by looking for `ar`.
+
+---
+ Makefile.am  | 2 +-
+ configure.ac | 2 ++
+ 2 files changed, 3 insertions(+), 1 deletion(-)
+
+diff --git a/Makefile.am b/Makefile.am
+index d18c49b8..b1b53338 100644
+--- a/Makefile.am
++++ b/Makefile.am
+@@ -494,7 +494,7 @@ CCC=@CXX@
+ # INSTALL_INFO
+ # LN_S
+ 
+-AR=ar
++AR=@AR@
+ ETAGS=etags
+ ETAGSFLAGS=
+ # Flag that tells etags to assume C++.
+diff --git a/configure.ac b/configure.ac
+index 28e75f17..2449b9f5 100644
+--- a/configure.ac
++++ b/configure.ac
+@@ -37,6 +37,7 @@ AC_CONFIG_AUX_DIR([build-aux])
+ 
+ AC_CONFIG_HEADERS([src/include/config.h:src/include/config.hin])
+ AC_CONFIG_SRCDIR([src/roff/groff/groff.cpp])
++AC_CONFIG_MACRO_DIR([m4])
+ 
+ AC_USE_SYSTEM_EXTENSIONS
+ 
+@@ -72,6 +73,7 @@ GROFF_DOC_CHECK
+ GROFF_MAKEINFO
+ GROFF_TEXI2DVI
+ AC_PROG_RANLIB
++AC_CHECK_TOOL([AR], [ar], [ar])
+ GROFF_INSTALL_SH
+ GROFF_INSTALL_INFO
+ AC_PROG_INSTALL
+-- 
+2.23.0
+

pkgs/groff/default.nix

@@ -0,0 +1,127 @@
+{ stdenv, lib, fetchurl, perl
+, ghostscript #for postscript and html output
+, psutils, netpbm #for html output
+, buildPackages
+, autoreconfHook
+, pkg-config
+, texinfo
+}:
+
+stdenv.mkDerivation rec {
+  pname = "groff";
+  version = "1.22.4";
+
+  src = fetchurl {
+    url = "mirror://gnu/groff/${pname}-${version}.tar.gz";
+    sha256 = "14q2mldnr1vx0l9lqp9v2f6iww24gj28iyh4j2211hyynx67p3p7";
+  };
+
+  enableParallelBuilding = false;
+
+  patches = [
+    ./0001-Fix-cross-compilation-by-looking-for-ar.patch
+  ];
+
+  postPatch = lib.optionalString (psutils != null) ''
+    substituteInPlace src/preproc/html/pre-html.cpp \
+      --replace "psselect" "${psutils}/bin/psselect"
+  '' + lib.optionalString (netpbm != null) ''
+    substituteInPlace src/preproc/html/pre-html.cpp \
+      --replace "pnmcut" "${lib.getBin netpbm}/bin/pnmcut" \
+      --replace "pnmcrop" "${lib.getBin netpbm}/bin/pnmcrop" \
+      --replace "pnmtopng" "${lib.getBin netpbm}/bin/pnmtopng"
+    substituteInPlace tmac/www.tmac.in \
+      --replace "pnmcrop" "${lib.getBin netpbm}/bin/pnmcrop" \
+      --replace "pngtopnm" "${lib.getBin netpbm}/bin/pngtopnm" \
+      --replace "@PNMTOPS_NOSETPAGE@" "${lib.getBin netpbm}/bin/pnmtops -nosetpage"
+  '';
+
+  buildInputs = [ ghostscript psutils netpbm perl ];
+  nativeBuildInputs = [ autoreconfHook pkg-config texinfo ];
+
+  # Builds running without a chroot environment may detect the presence
+  # of /usr/X11 in the host system, leading to an impure build of the
+  # package. To avoid this issue, X11 support is explicitly disabled.
+  # Note: If we ever want to *enable* X11 support, then we'll probably
+  # have to pass "--with-appresdir", too.
+  configureFlags = [
+    "--without-x"
+  ] ++ lib.optionals (ghostscript != null) [
+    "--with-gs=${ghostscript}/bin/gs"
+  ] ++ lib.optionals (stdenv.buildPlatform != stdenv.hostPlatform) [
+    "ac_cv_path_PERL=${buildPackages.perl}/bin/perl"
+  ];
+
+  makeFlags = lib.optionals (stdenv.buildPlatform != stdenv.hostPlatform) [
+    # Trick to get the build system find the proper 'native' groff
+    # http://www.mail-archive.com/bug-groff@gnu.org/msg01335.html
+    "GROFF_BIN_PATH=${buildPackages.groff}/bin"
+    "GROFFBIN=${buildPackages.groff}/bin/groff"
+  ];
+
+  doCheck = true;
+
+  postInstall = ''
+    for f in 'man.local' 'mdoc.local'; do
+        cat '${./site.tmac}' >>"$out/share/groff/site-tmac/$f"
+    done
+
+    moveToOutput bin/gropdf $out
+    moveToOutput bin/pdfmom $out
+    moveToOutput bin/roff2text $out
+    moveToOutput bin/roff2pdf $out
+    moveToOutput bin/roff2ps $out
+    moveToOutput bin/roff2dvi $out
+    moveToOutput bin/roff2ps $out
+    moveToOutput bin/roff2html $out
+    moveToOutput bin/glilypond $out
+    moveToOutput bin/mmroff $out
+    moveToOutput bin/roff2x $out
+    moveToOutput bin/afmtodit $out
+    moveToOutput bin/gperl $out
+    moveToOutput bin/chem $out
+    moveToOutput share/groff/${version}/font/devpdf $out
+
+    # idk if this is needed, but Fedora does it
+    moveToOutput share/groff/${version}/tmac/pdf.tmac $out
+
+    moveToOutput bin/gpinyin $out
+    moveToOutput lib/groff/gpinyin $out
+    substituteInPlace $out/bin/gpinyin \
+      --replace $out/lib/groff/gpinyin $out/lib/groff/gpinyin
+
+    moveToOutput bin/groffer $out
+    moveToOutput lib/groff/groffer $out
+    substituteInPlace $out/bin/groffer \
+      --replace $out/lib/groff/groffer $out/lib/groff/groffer
+
+    moveToOutput bin/grog $out
+    moveToOutput lib/groff/grog $out
+    substituteInPlace $out/bin/grog \
+      --replace $out/lib/groff/grog $out/lib/groff/grog
+
+  '' + lib.optionalString (stdenv.buildPlatform != stdenv.hostPlatform) ''
+    find $out/ -type f -print0 | xargs --null sed -i 's|${buildPackages.perl}|${perl}|'
+  '';
+
+  meta = with lib; {
+    homepage = "https://www.gnu.org/software/groff/";
+    description = "GNU Troff, a typesetting package that reads plain text and produces formatted output";
+    license = licenses.gpl3Plus;
+    platforms = platforms.all;
+    maintainers = with maintainers; [ pSub ];
+
+    longDescription = ''
+      groff is the GNU implementation of troff, a document formatting
+      system.  Included in this release are implementations of troff,
+      pic, eqn, tbl, grn, refer, -man, -mdoc, -mom, and -ms macros,
+      and drivers for PostScript, TeX dvi format, HP LaserJet 4
+      printers, Canon CAPSL printers, HTML and XHTML format (beta
+      status), and typewriter-like devices.  Also included is a
+      modified version of the Berkeley -me macros, the enhanced
+      version gxditview of the X11 xditview previewer, and an
+      implementation of the -mm macros.
+    '';
+
+  };
+}

pkgs/groff/site.tmac

@@ -0,0 +1,16 @@
+.
+.if n \{\
+.  \" Character translations for non-keyboard
+.  \" characters - to make them searchable
+.  if '\*[.T]'utf8' \{\
+.    char \- \N'45'
+.    char - \N'45'
+.    char ' \N'39'
+.    char \' \N'39'
+.  \}
+.
+.  \" Shut off SGR by default (groff colors)
+.  \" Require GROFF_SGR envvar defined to turn it on
+.  if '\V[GROFF_SGR]'' \
+.    output x X tty: sgr 0
+.\}

pkgs/gromacs/default.nix

@@ -0,0 +1,191 @@
+{
+  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
+      bsc.abonerib
+    ];
+  };
+}

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/hwloc/1.11.6/default.nix

@@ -0,0 +1,70 @@
+{ stdenv, lib, fetchurl, pkg-config, expat, ncurses
+, pciutils, numactl }:
+
+with lib;
+
+stdenv.mkDerivation rec {
+  name = "hwloc-1.11.6";
+
+  src = fetchurl {
+    url = "http://www.open-mpi.org/software/hwloc/v1.11/downloads/${name}.tar.bz2";
+    sha256 = "1yl7dm2qplwmnidd712zy12qfvxk28k8ccs694n42ybwdjwzg1bn";
+  };
+
+  nativeBuildInputs = [ pkg-config ];
+
+  # Filter out `null' inputs.  This allows users to `.override' the
+  # derivation and set optional dependencies to `null'.
+  buildInputs = filter (x: x != null)
+   ([ expat ncurses ]
+     ++  (optionals stdenv.isLinux [ numactl ]));
+
+  propagatedBuildInputs =
+    # Since `libpci' appears in `hwloc.pc', it must be propagated.
+    optional stdenv.isLinux pciutils;
+
+  enableParallelBuilding = true;
+
+  postInstall =
+    optionalString (stdenv.isLinux && numactl != null)
+      '' if [ -d "${numactl}/lib64" ]
+         then
+             numalibdir="${numactl}/lib64"
+         else
+             numalibdir="${numactl}/lib"
+             test -d "$numalibdir"
+         fi
+
+         sed -i "$out/lib/libhwloc.la" \
+             -e "s|-lnuma|-L$numalibdir -lnuma|g"
+      '';
+
+  # Checks disabled because they're impure (hardware dependent) and
+  # fail on some build machines.
+  doCheck = false;
+
+  meta = {
+    description = "Portable abstraction of hierarchical architectures for high-performance computing";
+    longDescription = ''
+       hwloc provides a portable abstraction (across OS,
+       versions, architectures, ...) of the hierarchical topology of
+       modern architectures, including NUMA memory nodes, sockets,
+       shared caches, cores and simultaneous multithreading.  It also
+       gathers various attributes such as cache and memory
+       information.  It primarily aims at helping high-performance
+       computing applications with gathering information about the
+       hardware so as to exploit it accordingly and efficiently.
+
+       hwloc may display the topology in multiple convenient
+       formats.  It also offers a powerful programming interface to
+       gather information about the hardware, bind processes, and much
+       more.
+    '';
+
+    # http://www.open-mpi.org/projects/hwloc/license.php
+    license = licenses.bsd3;
+    homepage = http://www.open-mpi.org/projects/hwloc/;
+    maintainers = [ ];
+    platforms = platforms.all;
+  };
+}

pkgs/intel-compiler/default.nix

@@ -0,0 +1,40 @@
+{
+  stdenv
+, gcc
+, iccUnwrapped
+, wrapCCWith
+, intelLicense
+}:
+
+let
+  targetConfig = stdenv.targetPlatform.config;
+  inherit gcc;
+in wrapCCWith rec {
+  cc = iccUnwrapped;
+  extraBuildCommands = ''
+    echo "-B${gcc.cc}/lib/gcc/${targetConfig}/${gcc.version}" >> $out/nix-support/cc-cflags
+    echo "-isystem ${iccUnwrapped}/include" >> $out/nix-support/cc-cflags
+    echo "-isystem ${iccUnwrapped}/include/intel64" >> $out/nix-support/cc-cflags
+    echo "-L${gcc.cc}/lib/gcc/${targetConfig}/${gcc.version}" >> $out/nix-support/cc-ldflags
+    echo "-L${gcc.cc.lib}/lib" >> $out/nix-support/cc-ldflags
+
+    cat "${iccUnwrapped}/nix-support/propagated-build-inputs" >> \
+      $out/nix-support/propagated-build-inputs
+
+    echo "export INTEL_LICENSE_FILE=${intelLicense}" \
+      >> $out/nix-support/setup-hook
+
+    # Create the wrappers for icc and icpc
+    if [ -e $ccPath/icc ]; then
+      wrap icc  $wrapper $ccPath/icc
+    fi
+
+    if [ -e $ccPath/icpc ]; then
+      wrap icpc $wrapper $ccPath/icpc
+    fi
+
+    if [ -e $ccPath/ifort ]; then
+      wrap ifort $wrapper $ccPath/ifort
+    fi
+  '';
+}

pkgs/intel-compiler/icc2020.nix

@@ -0,0 +1,71 @@
+{ stdenv
+, lib
+, fetchurl
+, rpmextract
+, autoPatchelfHook
+, gcc
+, intel-mpi
+}:
+
+stdenv.mkDerivation rec {
+  version = "${year}.${v_a}.${v_b}";
+  name = "intel-compiler-${version}";
+
+  passthru = {
+    CC = "icc";
+    CXX = "icpc";
+  };
+
+  # From Arch Linux PKGBUILD
+  dir_nr="17114";
+  year="2020";
+  v_a="4";
+  v_b="304";
+  update="4";
+  composer_xe_dir="compilers_and_libraries_${year}.${v_a}.${v_b}";
+  tgz="parallel_studio_xe_2020_update${update}_professional_edition.tgz";
+
+  src = fetchurl {
+    url = "https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/${dir_nr}/${tgz}";
+    sha256 = "1rn9kk5bjj0jfv853b09dxrx7kzvv8dlyzw3hl9ijx9mqr09lrzr";
+  };
+
+  buildInputs = [
+    rpmextract
+    autoPatchelfHook
+    gcc.cc.lib
+    gcc
+    intel-mpi
+  ];
+
+  # The gcc package is required for building other programs
+  propagatedBuildInputs = [ gcc ];
+
+  installPhase = ''
+    pwd
+    ls -l rpm
+    rpmextract rpm/intel-icc-*.rpm
+    rpmextract rpm/intel-comp-*.rpm
+    rpmextract rpm/intel-c-comp-*.rpm
+    rpmextract rpm/intel-openmp*.rpm
+    rpmextract rpm/intel-ifort*.rpm
+
+    mkdir -p $out/{bin,lib,include}
+
+    pushd ./opt/intel/${composer_xe_dir}/linux/
+      cp -a bin/intel64/* $out/bin/
+      cp -a compiler/include/* $out/include/
+      cp -a compiler/lib/intel64_lin/* $out/lib/
+      ln -s lib $out/lib_lin
+      rm $out/lib/*.dbg
+    popd
+  '';
+
+  meta = {
+    homepage = "https://www.intel.com/content/www/us/en/developer/tools/overview.html";
+    description = "Intel compiler";
+    maintainers = with lib.maintainers.bsc; [ rarias ];
+    platforms = lib.platforms.linux;
+    license = lib.licenses.unfree;
+  };
+}

pkgs/intel-compiler/icc2021.nix

@@ -0,0 +1,156 @@
+{ stdenv
+, lib
+, fetchurl
+, dpkg
+, rsync
+, libffi
+, libelf
+, libxml2
+, hwloc
+, autoPatchelfHook
+}:
+
+with lib;
+
+let
+
+  getsrc = url: sha256: fetchurl { inherit url sha256; };
+
+  version = "2021.2.0";
+  _debpkgrel = "610";
+  tbbrel = "357";
+
+  # Shorhands
+  main     = "intel-oneapi-dpcpp-cpp";
+  compiler = "intel-oneapi-compiler-dpcpp-cpp";
+  shared   = "intel-oneapi-compiler-shared";
+  openmp   = "intel-oneapi-openmp";
+  tbb      = "intel-oneapi-tbb";
+
+  # From Arch Linux PKGBUILD:
+  # https://aur.archlinux.org/cgit/aur.git/tree/PKGBUILD?h=intel-oneapi-compiler-dpcpp-cpp
+  debs = [
+    # From intel-oneapi-compiler-dpcpp-cpp
+    "${main}-${version}-${version}-${_debpkgrel}_amd64.deb"
+    "${compiler}-common-${version}-${version}-${_debpkgrel}_all.deb"
+    "${compiler}-runtime-${version}-${version}-${_debpkgrel}_amd64.deb"
+
+    # From intel-oneapi-compiler-shared
+    "${shared}-${version}-${version}-${_debpkgrel}_amd64.deb"
+    "${shared}-runtime-${version}-${version}-${_debpkgrel}_amd64.deb"
+    "${shared}-common-${version}-${version}-${_debpkgrel}_all.deb"
+    "${shared}-common-runtime-${version}-${version}-${_debpkgrel}_all.deb"
+    "${compiler}-classic-fortran-shared-runtime-${version}-${version}-${_debpkgrel}_amd64.deb"
+
+    # From intel-oneapi-openmp
+    "${openmp}-${version}-${version}-${_debpkgrel}_amd64.deb"
+    "${openmp}-common-${version}-${version}-${_debpkgrel}_all.deb"
+
+    # From intel-oneapi-tbb
+    "${tbb}-${version}-${version}-${tbbrel}_amd64.deb"
+    "${tbb}-devel-${version}-${version}-${tbbrel}_amd64.deb"
+    "${tbb}-common-${version}-${version}-${tbbrel}_all.deb"
+    "${tbb}-common-devel-${version}-${version}-${tbbrel}_all.deb"
+  ];
+
+  apthost = "https://apt.repos.intel.com/oneapi/pool/main/";
+  urls = map (x: apthost + x) debs;
+
+  sums = [
+    # From intel-oneapi-compiler-dpcpp-cpp
+    "0pwsfzkazr9yf6v6lgwb3p2in6ch3rlcc9qcfarkyqn052p760kk"
+    "0vzsanldhs4ym4gsfn0zjqm03x53ma1zjkj24hpkhpsvlr2r069w"
+    "0nx62v6g0wl70lqdh7sh7gfgxbynhrrips9gpj9if60ngz6fm21m"
+
+    # From intel-oneapi-compiler-shared
+    "1al80pcy2r3q2r2pm04sva7rd3z6y287mkdv5jq4p5bfd8yi14d4"
+    "07rp0cjmbgj48wly9dm6ibxzbsanmgrsjjqr7mx688ms6qbhv314"
+    "1pf4xckyyhssjknhs6hwampjsz2qjlg81jw2fc441zaccwf25yf3"
+    "0hk0x4wq60g9wnn9j051v25zcmbasjdzp34xfvrihmcvyws0s69g"
+    "0dhbw8kshw4abqc9zf891z5ic0x13x3kvhk56nrqkqgcfwps9w8a"
+
+    # From intel-oneapi-openmp
+    "1wqy2sjwlqdh72zhfrxl9pm106hjzfdbbm98cxigbg20fb5lbv5a"
+    "19nbqypvqcf8c3mwriaqrmp5igjpwvwrb9mq2fxa5i40w7bhlxjl"
+
+    # From intel-oneapi-tbb
+    "1dpii3g861kimky0x7dqcj6hg7zb6i5kw1wgwrxdc5yxhi5slbm9"
+    "0bl1flm6w0w9nzrh34ig4p9qz2gbdgw9q14as2pwp8flicd8p899"
+    "0w3kip6q713v1xlfc10ai4v15cbwmbqrv8r1f5x6pfqdbb0bpmbv"
+    "0v95nmddyi0mjjdvm07w9fm3vq4a0wkx7zxlyzn2f4xg38qc5j73"
+  ];
+
+in
+  stdenv.mkDerivation {
+    inherit version;
+    name = "intel-compiler-${version}";
+
+    passthru = {
+      CC = "icc";
+      CXX = "icpc";
+    };
+
+    srcs = zipListsWith getsrc urls sums;
+
+    buildInputs = [
+      dpkg
+      rsync
+      libffi
+      libelf
+      libxml2
+      hwloc
+      autoPatchelfHook
+      stdenv.cc.cc.lib
+    ];
+
+    dontBuild = true;
+    dontStrip = true;
+
+    # The gcc package is required for building other programs
+    #propagatedBuildInputs = [ gcc ];
+
+    unpackCmd = ''
+      dpkg -x $curSrc .
+    '';
+
+    # FIXME: Some dependencies are missing
+    autoPatchelfIgnoreMissingDeps = true;
+    #autoPatchelfIgnoreMissingDeps = [ "*" ];
+
+    # Compiler
+    installPhase = ''
+      mkdir -p $out/{bin,lib,include}
+
+      pushd intel/oneapi/compiler/${version}/linux
+        # Binaries
+        rsync -a bin/ $out/bin/
+        rsync -a bin/intel64/ $out/bin/
+
+        # Libraries
+        rsync -a --exclude=oclfpga lib/ $out/lib/
+        rsync -a compiler/lib/intel64_lin/ $out/lib/
+
+        # Headers
+        rsync -a include/ $out/include/
+        rsync -a compiler/include/ $out/include/
+      popd
+
+      # TBB
+      pushd intel/oneapi/tbb/${version}
+        # Libraries
+        rsync -a lib/intel64/gcc4.8/ $out/lib/
+
+        # Headers
+        rsync -a include/ $out/include/
+      popd
+    '';
+
+    meta = {
+      homepage = "https://www.intel.com/content/www/us/en/developer/tools/overview.html";
+      description = "Intel compiler";
+      maintainers = with lib.maintainers.bsc; [ rarias ];
+      platforms = lib.platforms.linux;
+      license = lib.licenses.unfree;
+    };
+
+  }

pkgs/intel-compiler/license.nix

@@ -0,0 +1,39 @@
+{ stdenv
+, requireFile
+}:
+
+stdenv.mkDerivation rec {
+  name = "intel-compiler-license";
+  version = "2019.7.217";
+
+  src = requireFile {
+    name = "license.lic";
+    sha256 = "0rgmsqkhpqcfny8j7msa4sgz3prhh248ylh69gjh12dkra77prsj";
+    message = ''
+      The Intel Compiler requires a license. You can get one (free of charge) if
+      you meet the requeriments at the website:
+
+        https://software.intel.com/content/www/us/en/develop/articles/qualify-for-free-software.html#opensourcecontributor
+
+      Or you can use your own license. Add it to the store with:
+
+        $ nix-store --add-fixed sha256 license.lic
+        /nix/store/2p9v0nvsl3scshjx348z6j32rh7ac0db-license.lic
+
+      Notice that the name must match exactly "license.lic".
+
+      Then update the hash in the bsc/intel-compiler/license.nix file using the
+      nix-hash command with:
+
+        $ nix-hash --type sha256 --base32 --flat /nix/store/2p9v0nvsl3scshjx348z6j32rh7ac0db-license.lic
+        06g2xgm1lch6zqfkhb768wacdx46kf61mfvj5wfpyssw0anr0x9q
+    '';
+  };
+
+  dontUnpack = true;
+
+  installPhase = ''
+    mkdir -p $out
+    cp $src $out/
+  '';
+}

pkgs/intel-compiler/wrapper2021.nix

@@ -0,0 +1,29 @@
+{
+  stdenv
+, gcc
+, iccUnwrapped
+, wrapCCWith
+}:
+
+let
+  targetConfig = stdenv.targetPlatform.config;
+  inherit gcc;
+in wrapCCWith rec {
+  cc = iccUnwrapped;
+  extraBuildCommands = ''
+    echo "-B${gcc.cc}/lib/gcc/${targetConfig}/${gcc.version}" >> $out/nix-support/cc-cflags
+    echo "-isystem ${iccUnwrapped}/include" >> $out/nix-support/cc-cflags
+    echo "-isystem ${iccUnwrapped}/include/icc" >> $out/nix-support/cc-cflags
+    echo "-isystem ${gcc.cc}/include/c++/${gcc.version}" >> $out/nix-support/cc-cflags
+    echo "-isystem ${gcc.cc}/include/c++/${gcc.version}/${targetConfig}" >> $out/nix-support/cc-cflags
+
+    echo "-L${iccUnwrapped}/lib" >> $out/nix-support/cc-ldflags
+    echo "-L${gcc.cc}/lib/gcc/${targetConfig}/${gcc.version}" >> $out/nix-support/cc-ldflags
+    echo "-L${gcc.cc.lib}/lib" >> $out/nix-support/cc-ldflags
+
+    # Create the wrappers for icx*
+    wrap lld  $wrapper $ccPath/lld
+    wrap icx  $wrapper $ccPath/icx
+    wrap icpx  $wrapper $ccPath/icpx
+  '';
+}

pkgs/intel-mpi/default.nix

@@ -0,0 +1,113 @@
+{ stdenv
+, lib
+, rpmextract
+, gcc
+, zlib
+, ucx
+, numactl
+, rdma-core
+, libpsm2
+, patchelf
+, autoPatchelfHook
+, enableDebug ? false
+# The _mt version seems to cause seg-faults and deadlocks with the libpsm2
+# provider library with programs that call the MPI library without any locking
+# mechanism. See https://pm.bsc.es/gitlab/rarias/bscpkgs/-/issues/28. By
+# default, we use the non-mt variant, which provides a big lock. If you want to
+# use it, take a look at the I_MPI_THREAD_SPLIT env-var as well.
+, enableMt ? false
+}:
+
+let
+
+  lib_variant = (if enableDebug then "debug" else "release");
+
+  # See https://software.intel.com/content/www/us/en/develop/documentation/mpi-developer-reference-linux/top/environment-variable-reference/other-environment-variables.html
+  lib_mt = (if enableMt then "_mt" else "");
+  lib_name = "${lib_variant}${lib_mt}";
+
+in
+
+stdenv.mkDerivation rec {
+  name = "intel-mpi-${version}";
+  version = "2019.10.317";
+  dir_nr = "17534";
+
+  src = builtins.fetchTarball {
+    url = "http://registrationcenter-download.intel.com/akdlm/irc_nas/tec/${dir_nr}/l_mpi_${version}.tgz";
+    sha256 = "00nimgqywr20dv1ns5kg4r8539gvharn0xfj48i7mhbg8kwf8s08";
+  };
+
+  buildInputs = [
+    rpmextract
+    autoPatchelfHook
+    gcc.cc.lib
+    zlib
+    ucx
+    numactl
+    rdma-core
+    libpsm2
+    patchelf
+  ];
+
+  postUnpack = ''
+    pushd $sourceRoot
+      rpmextract rpm/intel-mpi-*.rpm
+      # Predictable name
+      mv opt/intel/compilers_and_libraries_* opt/intel/compilers_and_libraries
+    popd
+    sourceRoot="$sourceRoot/opt/intel/compilers_and_libraries/linux/mpi/intel64"
+  '';
+
+  patches = [
+    ./mpicc.patch
+    ./mpicxx.patch
+  ];
+
+  postPatch = ''
+    for i in bin/mpi* ; do
+      echo "Fixing paths in $i"
+      sed -i "s:I_MPI_SUBSTITUTE_INSTALLDIR:$out:g" "$i"
+    done     
+  '';
+
+  dontBuild = true;
+
+  installPhase = ''
+    mkdir -p $out
+    mv etc $out
+    mv bin $out 
+    mv include $out 
+    mkdir $out/lib
+    cp -a lib/lib* $out/lib
+    cp -a lib/${lib_name}/lib* $out/lib
+    cp -a libfabric/lib/* $out/lib
+    cp -a libfabric/lib/prov/* $out/lib
+    cp -a libfabric/bin/* $out/bin
+    ln -s . $out/intel64
+    rm $out/lib/libmpi.dbg
+
+    # Fixup Intel PSM2 library missing (now located at PSMX2)
+    ln -s $out/lib/libpsmx2-fi.so $out/lib/libpsm2-fi.so
+  '';
+
+  dontAutoPatchelf = true;
+
+  # The rpath of libfabric.so bundled with Intel MPI is patched to include the
+  # rdma-core lib path, as is required for dlopen to find the rdma components.
+  # TODO: Try the upstream libfabric library with rdma support, so we can avoid
+  # this hack.
+  postFixup = ''
+    autoPatchelf -- $out
+    patchelf --set-rpath "$out/lib:${rdma-core}/lib:${libpsm2}/lib" $out/lib/libfabric.so
+    echo "Patched RPATH in libfabric.so to: $(patchelf --print-rpath $out/lib/libfabric.so)"
+  '';
+
+  meta = {
+    homepage = "https://www.intel.com/content/www/us/en/developer/tools/overview.html";
+    description = "Intel MPI";
+    maintainers = with lib.maintainers.bsc; [ rarias ];
+    platforms = lib.platforms.linux;
+    license = lib.licenses.unfree;
+  };
+}

pkgs/intel-mpi/mpicc.patch

@@ -0,0 +1,20 @@
+--- a/bin/mpicc	2021-02-04 18:15:11.233632360 +0100
++++ b/bin/mpicc	2021-02-05 09:33:49.493598479 +0100
+@@ -50,7 +50,7 @@
+ if [ x"$opt_args" == x"" ]; then
+     case "${compiler_short_name}" in
+     icc|icx)    "$dir"/mpiicc -cc=$compiler_name "$@" ;;
+-    cc|*gcc*|clang*) "$dir"/mpigcc -cc=$compiler_name "$@" ;;
++    cc|*gcc*|clang*|mcc|echo) "$dir"/mpigcc -cc=$compiler_name "$@" ;;
+     mpicc)  "$dir"/mpigcc "$@" ;;    
+     *)  
+             echo "Error: unsupported compiler name '$compiler_name'."
+@@ -60,7 +60,7 @@
+ else
+     case "${compiler_short_name}" in
+     icc|icx)    "$dir"/mpiicc -cc=$compiler_name "$@" $opt_args ;;
+-    cc|*gcc*|clang*) "$dir"/mpigcc -cc=$compiler_name "$@" $opt_args ;;
++    cc|*gcc*|clang*|mcc|echo) "$dir"/mpigcc -cc=$compiler_name "$@" $opt_args ;;
+     mpicc)  "$dir"/mpigcc "$@" $opt_args ;;    
+     *)  
+             echo "Error: unsupported compiler name '$compiler_name'."

pkgs/intel-mpi/mpicxx.patch

@@ -0,0 +1,20 @@
+--- a/bin/mpicxx	2021-02-04 18:15:11.233632360 +0100
++++ b/bin/mpicxx	2021-02-05 09:36:21.396922569 +0100
+@@ -50,7 +50,7 @@
+ if [ x"$opt_args" == x"" ]; then
+     case "${compiler_short_name}" in
+     icc|icpc|dpcpp)   "$dir"/mpiicpc -cxx=$compiler_name "$@" ;;
+-    *g++*)        "$dir"/mpigxx -cxx=$compiler_name "$@" ;;
++    *g++*|clang*++|mcxx|echo) "$dir"/mpigxx -cxx=$compiler_name "$@" ;;
+     mpicxx)     "$dir"/mpigxx "$@" ;;
+     *)  
+             echo "Error: unsupported compiler name '$compiler_name'."
+@@ -60,7 +60,7 @@
+ else
+     case "${compiler_short_name}" in
+     icc|icpc|dpcpp)   "$dir"/mpiicpc -cxx=$compiler_name "$@" $opt_args ;;
+-    *g++*)        "$dir"/mpigxx -cxx=$compiler_name "$@" $opt_args ;;
++    *g++*|clang*++|mcxx|echo) "$dir"/mpigxx -cxx=$compiler_name "$@" $opt_args ;;
+     mpicxx)     "$dir"/mpigxx "$@" $opt_args ;;
+     *)  
+             echo "Error: unsupported compiler name '$compiler_name'."

pkgs/intel-oneapi/common/wrapper.nix

@@ -0,0 +1,73 @@
+{
+  stdenv,
+  lib,
+  gcc,
+  libgcc,
+  overrideCC,
+  wrapCCWith,
+}:
+
+{
+  cc,
+  extraPath ? lib.makeBinPath (
+    [ gcc.cc ] ++ (lib.optionals (cc.enableCuda or false) [ cc.cudaPackages.cudatoolkit ])
+  ),
+  extraBuildCommands ? "",
+  extraInstallCommands ? "",
+}:
+
+let
+  targetConfig = stdenv.targetPlatform.config;
+in
+(wrapCCWith {
+  inherit cc;
+
+  nixSupport = {
+    cc-ldflags = [
+      "-L${gcc.cc}/lib/gcc/${targetConfig}/${gcc.version}"
+      "-L${gcc.cc.lib}/lib"
+      "-L${libgcc.out}/lib"
+      "-L${gcc.libc}/lib"
+      "-L${cc}/lib"
+    ];
+    cc-cflags = [
+      "--gcc-toolchain=${gcc.cc}"
+      "-isystem ${cc.original or cc}/lib/clang/${toString cc.llvmMajorVersion}/include"
+      "-isystem ${cc}/include"
+      "-isystem ${cc}/include/intel64"
+      "-isystem ${gcc.cc}/lib/gcc/${targetConfig}/${gcc.version}/include"
+    ];
+    libcxx-cxxflags = [
+      "-isystem ${gcc.cc}/include/c++/${gcc.version}"
+      "-isystem ${gcc.cc}/include/c++/${gcc.version}/${targetConfig}"
+    ];
+  };
+
+  extraBuildCommands = ''
+    # FIXME: We should find a better way to modify the PATH instead of using
+    # this ugly hack. See https://jungle.bsc.es/git/rarias/bscpkgs/issues/9
+    echo 'path_backup="${extraPath}:$path_backup"' >>$out/nix-support/cc-wrapper-hook
+
+    # Disable hardening by default
+    echo "" > $out/nix-support/add-hardening.sh
+
+    pushd $ccPath
+    for i in $ {llvm,sycl}-* ; do
+      ln -s $ccPath/$i $out/bin/$i
+    done
+    popd
+
+    # Use this to detect when a compiler subprocess is called
+    # from icpx (--fsycl-host-compiler)
+    echo 'export NIX_CC_WRAPPER_INTEL=1' >>$out/nix-support/cc-wrapper-hook
+
+    # oneMath looks for sycl libraries in bin/../lib
+    ln -s ${cc}/lib $out/lib
+    ln -s ${cc}/include $out/include
+  ''
+  + extraBuildCommands;
+}).overrideAttrs
+  (finalAttrs: prevAttrs: {
+    installPhase = prevAttrs.installPhase + extraInstallCommands;
+    passthru.stdenv = overrideCC stdenv finalAttrs.finalPackage;
+  })

pkgs/intel-oneapi/deb/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";
@@ -42,45 +40,19 @@ let
     mpi      = "2021.9.0";
   };
 
-  aptPackageIndex = stdenv.mkDerivation {
-    name = "intel-oneapi-packages";
-    srcs = [
-      # Run update.sh to update the package lists
-      ./amd64-packages ./all-packages
-    ];
-    phases = [ "installPhase" ];
-    installPhase = ''
-      awk -F': ' '\
-        BEGIN   { print "[ {" } \
-        NR>1 && /^Package: / { print "} {"; } \
-        /: /    { printf "%s = \"%s\";\n", $1, $2 } \
-        END     { print "} ]" }' $srcs > $out
-    '';
-  };
-
-  aptPackages = import aptPackageIndex;
-
-  apthost = "https://apt.repos.intel.com/oneapi/";
-
-  getSum = pkgList: name:
+  findMatch = name:
   let
-    matches = lib.filter (x: name == x.Package) pkgList;
-    #n = lib.length matches;
-    #match = builtins.trace (name + " -- ${builtins.toString n}") (lib.elemAt matches 0);
-    match = lib.elemAt matches 0;
-  in
-    match.SHA256;
-
-  getUrl = pkgList: name:
-  let
-    matches = lib.filter (x: name == x.Package) pkgList;
-    #match = assert lib.length matches == 1; lib.elemAt matches 0;
+    aptPackages = builtins.fromJSON (builtins.readFile ./packages.json);
+    matches = lib.filter (x: name == x.pname) aptPackages;
     n = lib.length matches;
-    match =
-      #builtins.trace (name + " -- n=${builtins.toString n}")
-      (lib.elemAt matches 0);
+    match = builtins.traceVerbose (name + " -- ${builtins.toString n}") (builtins.head matches);
+
+    apthost = "https://apt.repos.intel.com/oneapi/";
   in
-    apthost + match.Filename;
+    {
+      url = apthost + match.filename;
+      sha256 = match.sha256;
+    };
 
   uncompressDebs = debs: name: stdenv.mkDerivation {
     name = name;
@@ -100,10 +72,7 @@ let
 
   joinDebs = name: names:
   let
-    urls = builtins.map (x: getUrl aptPackages x) names;
-    sums = builtins.map (x: getSum aptPackages x) names;
-    getsrc = url: sha256: builtins.fetchurl { inherit url sha256; };
-    debs = lib.zipListsWith getsrc urls sums;
+    debs = builtins.map (x: builtins.fetchurl (findMatch x)) names;
   in
     uncompressDebs debs "${name}-source";
 
@@ -472,7 +441,7 @@ let
     '';
   };
 
-  ifort-wrapper = wrapIntel rec {
+  ifort-wrapper = wrapIntel {
     cc = intel-compiler-fortran;
     mygcc = gcc;
     extraBuild = ''

pkgs/intel-oneapi/deb/packages.nix

@@ -0,0 +1,301 @@
+{
+  lib,
+  stdenv,
+  callPackage,
+  dpkg,
+  fetchurl,
+
+  sqlite,
+  elfutils,
+}:
+
+let
+  inherit (builtins)
+    attrNames
+    attrValues
+    concatMap
+    elem
+    filter
+    fromJSON
+    getAttr
+    groupBy
+    head
+    isNull
+    listToAttrs
+    map
+    mapAttrs
+    readFile
+    replaceStrings
+    splitVersion
+    ;
+  inherit (lib)
+    converge
+    findFirst
+    groupBy'
+    hasPrefix
+    optional
+    pipe
+    take
+    toInt
+    toList
+    versionAtLeast
+    versionOlder
+    ;
+
+  aptData = fromJSON (readFile ./packages.json);
+
+  # Compare versions in debian control file syntax
+  # See: https://www.debian.org/doc/debian-policy/ch-relationships.html#syntax-of-relationship-fields
+  #
+  # NOTE: this is not a proper version comparison
+  #
+  # A proper version solver, should aggregate dependencies with the same name
+  # and compute the constraint (e.g. a (>= 2) a (<< 5) -> 2 <= a << 5)
+  #
+  # But in the intel repo, there are no such "duplicated" dependencies to specify
+  # upper limits, which leads to issues when intel-hpckit-2021 depends on things
+  # like intel-basekit >= 2021.1.0-2403 and we end up installing the newest
+  # basekit instead of the one from 2021.
+  #
+  # To mitigate this, >= is set to take the latest version with matching major
+  # and minor (only revision and patch are allowed to change)
+  compareVersions =
+    got: kind: want:
+    let
+      g0 = take 2 (splitVersion got);
+      w0 = take 2 (splitVersion want);
+    in
+    if isNull want then
+      true
+    else if kind == "=" then
+      got == want
+    else if kind == "<<" then
+      versionOlder got want
+    else if kind == "<=" then
+      versionAtLeast want got
+    else if kind == ">>" then
+      versionOlder want got
+    else if kind == ">=" then
+      (g0 == w0) && versionAtLeast got want # always match major version
+    else
+      throw "unknown operation: ${kind}";
+
+  findMatching =
+    {
+      pname,
+      kind,
+      version,
+    }:
+    findFirst (x: pname == x.pname && compareVersions x.version kind version) null aptData;
+
+  isIntel = pkg: (hasPrefix "intel-" pkg.pname);
+
+  expandDeps =
+    pkg: (map findMatching (filter isIntel pkg.dependencies)) ++ (optional (pkg.size != 0) pkg);
+
+  # get the oldest by major version. If they have the same major version, take
+  # the newest. This prevents most issues with resolutions
+  # versionOlder b a -> true if b is older than a (b `older` a)
+  getNewerInMajor =
+    a: b:
+    let
+      va = a.version;
+      vb = b.version;
+      va0 = head (splitVersion va);
+      vb0 = head (splitVersion vb);
+    in
+    if isNull a then
+      b
+    else if va0 != vb0 then
+      if va0 > vb0 then b else a
+    else if versionOlder vb va then
+      a
+    else
+      b;
+  removeDups = l: attrValues (groupBy' getNewerInMajor null (getAttr "provides") l);
+
+  _resolveDeps = converge (l: removeDups (concatMap expandDeps l));
+  resolveDeps =
+    pkg:
+    let
+      deps = _resolveDeps (toList pkg);
+      namedDeps = (map (x: "${x.pname}-${x.version}") deps);
+    in
+    builtins.traceVerbose (builtins.deepSeq namedDeps namedDeps) deps;
+
+  blacklist = [
+    "intel-basekit-env"
+    "intel-basekit-getting-started"
+    "intel-hpckit-env"
+    "intel-hpckit-getting-started"
+    "intel-oneapi-advisor"
+    "intel-oneapi-common-licensing"
+    "intel-oneapi-common-oneapi-vars"
+    "intel-oneapi-common-vars"
+    "intel-oneapi-compiler-cpp-eclipse-cfg"
+    "intel-oneapi-compiler-dpcpp-eclipse-cfg"
+    "intel-oneapi-condaindex"
+    "intel-oneapi-dev-utilities-eclipse-cfg"
+    "intel-oneapi-dpcpp-ct-eclipse-cfg"
+    "intel-oneapi-eclipse-ide"
+    "intel-oneapi-hpc-toolkit-getting-started"
+    "intel-oneapi-icc-eclipse-plugin-cpp"
+    "intel-oneapi-vtune"
+    "intel-oneapi-vtune-eclipse-plugin-vtune"
+  ];
+
+  isInBlacklist = pkg: elem pkg.provides blacklist;
+  removeBlacklist = filter (e: !(isInBlacklist e));
+
+  dpkgExtractAll =
+    pname: version:
+    { srcs, deps }:
+    stdenv.mkDerivation {
+      inherit pname version srcs;
+
+      nativeBuildInputs = [ dpkg ];
+      phases = [ "installPhase" ];
+
+      passthru = { inherit deps; };
+
+      installPhase = ''
+        mkdir -p $out
+        for src in $srcs; do
+          echo "Unpacking $src"
+          dpkg -x $src $out
+        done
+      '';
+    };
+
+  apthost = "https://apt.repos.intel.com/oneapi/";
+  fetchDeb =
+    p:
+    fetchurl {
+      url = apthost + p.filename;
+      inherit (p) sha256;
+    };
+
+  buildIntel =
+    pkg:
+    pipe pkg [
+      resolveDeps
+      removeBlacklist
+      (l: {
+        srcs = map fetchDeb l;
+        deps = l;
+      })
+      (dpkgExtractAll "${pkg.provides}-extracted" pkg.version)
+    ];
+
+  findHpcKit =
+    year:
+    findMatching {
+      pname = "intel-hpckit";
+      kind = "<<";
+      version = toString (year + 1);
+    };
+  years = map toInt (attrNames components);
+
+  patchIntel = callPackage ./patch_intel.nix { };
+
+  # Version information for each hpckit. This is used to normalize the paths
+  # so that files are in $out/{bin,lib,include...} instead of all over the place
+  # in $out/opt/intel/oneapi/*/*/{...}.
+  #
+  # The most important is the compiler component, which is used to build the
+  # stdenv for the hpckit.
+  #
+  # NOTE: this have to be manually specified, so we can avoid IFD. To add a
+  # new version, add a new field with an empty attrset, (e.g. "2026" = {}; ),
+  # build hpckit_2026.unpatched and use the values from
+  # result/opt/intel/oneapi/* to populate the attrset.
+  #
+  # WARN: if there are more than one version in the folders of the unpatched
+  # components, our dependency resolution hacks have probably failed and the
+  # package set may be broken.
+  components = {
+    "2025" = {
+      ishmem = "1.4";
+      pti = "0.13";
+      tcm = "1.4";
+      umf = "0.11";
+
+      ccl = "2021.16";
+      compiler = "2025.2";
+      dal = "2025.8";
+      debugger = "2025.2";
+      dev-utilities = "2025.2";
+      dnnl = "2025.2";
+      dpcpp-ct = "2025.2";
+      dpl = "2022.9";
+      ipp = "2022.2";
+      ippcp = "2025.2";
+      mkl = "2025.2";
+      mpi = "2021.16";
+      tbb = "2022.2";
+
+      llvmMajorVersion = 21;
+    };
+    "2024" = {
+      tcm = "1.1";
+
+      ccl = "2021.13";
+      compiler = "2024.2";
+      dal = "2024.6";
+      debugger = "2024.2";
+      dev-utilities = "2024.2";
+      diagnostics = "2024.2";
+      dnnl = "2024.2";
+      dpcpp-ct = "2024.2";
+      dpl = "2022.6";
+      ipp = "2021.12";
+      ippcp = "2021.12";
+      mkl = "2024.2";
+      mpi = "2021.13";
+      tbb = "2021.13";
+
+      llvmMajorVersion = 19;
+
+      extraPackages = [
+        sqlite
+        elfutils
+      ];
+    };
+  };
+
+  replaceDots = replaceStrings [ "." ] [ "_" ];
+
+in
+lib.recurseIntoAttrs (
+  listToAttrs (
+    map (
+      year:
+      let
+        year_str = toString year;
+      in
+      {
+        name = "hpckit_${year_str}";
+        value = patchIntel {
+          unpatched = buildIntel (findHpcKit year);
+          components = components.${year_str};
+        };
+      }
+    ) years
+  )
+)
+// {
+  apt = pipe aptData [
+    (groupBy (p: replaceDots p.provides))
+    (mapAttrs (
+      _: l:
+      listToAttrs (
+        map (pkg: {
+          name = replaceDots ("v" + pkg.version);
+          value = pkg;
+        }) l
+      )
+    ))
+  ];
+
+  inherit resolveDeps patchIntel buildIntel;
+}

pkgs/intel-oneapi/deb/patch_intel.nix

@@ -0,0 +1,156 @@
+{
+  stdenv,
+  stdenvNoCC,
+  lib,
+  symlinkJoin,
+  autoPatchelfHook,
+  wrapIntel,
+  overrideCC,
+  hwloc,
+  libelf,
+  libffi_3_3,
+  libpsm2,
+  libuuid,
+  libxml2,
+  numactl,
+  ocl-icd,
+  openssl,
+  python3,
+  rdma-core,
+  ucx,
+  zlib,
+  writeTextFile,
+}:
+
+lib.makeOverridable (
+  {
+    unpatched,
+    components ? { },
+    extraPackages ? components.extraPackages or [ ],
+  }:
+
+  let
+    inherit (builtins)
+      attrValues
+      filter
+      mapAttrs
+      removeAttrs
+      ;
+
+    inherit (components) llvmMajorVersion;
+
+    __components = removeAttrs components [
+      "extraPackages"
+      "llvmMajorVersion"
+    ];
+    _components = __components;
+    # _components = lib.traceSeqN 2 {
+    #   inherit unpatched __components;
+    #   deps = builtins.map (x: "${x.pname}-${x.version}") unpatched.deps;
+    # } __components;
+
+  in
+  stdenvNoCC.mkDerivation (finalAttrs: {
+    pname = lib.removeSuffix "-extracted" unpatched.pname;
+    inherit (unpatched) version;
+    src = unpatched;
+
+    phases = [
+      "installPhase"
+      "fixupPhase"
+    ];
+    buildInputs = [
+      libffi_3_3
+      libelf
+      libxml2
+      hwloc
+      numactl
+      libuuid
+      libpsm2
+      zlib
+      ocl-icd
+      rdma-core
+      ucx
+      openssl
+      python3
+      stdenv.cc.cc.lib
+    ]
+    ++ extraPackages;
+
+    autoPatchelfIgnoreMissingDeps = [
+      "libhwloc.so.5"
+      "libcuda.so.1"
+      "libze_loader.so.1"
+    ];
+
+    # There are broken symlinks that go outside packages, ignore them
+    dontCheckForBrokenSymlinks = true;
+
+    nativeBuildInputs = [ autoPatchelfHook ];
+    installPhase = ''
+      cp -r $src/opt/intel/oneapi/ $out
+    '';
+
+    passthru =
+      let
+        pkgs = mapAttrs (
+          folder: version:
+          let
+            original = "${finalAttrs.finalPackage}/${folder}/${version}";
+
+            etc-vendors = writeTextFile {
+              name = "intel-ocl-icd";
+              text = "${original}/lib/libintelocl.so";
+              destination = "/etc/OpenCL/vendors/intel.icd";
+            };
+          in
+          symlinkJoin {
+            pname = "intel-${folder}";
+            inherit version;
+            paths = [ original ] ++ lib.optionals (folder == "compiler") [ etc-vendors ];
+            passthru = { inherit original llvmMajorVersion; };
+          }
+        ) _components;
+      in
+      pkgs
+      // {
+        inherit unpatched;
+        pkgs = lib.recurseIntoAttrs pkgs;
+        components = _components;
+
+        # This contains all packages properly symlinked into toplevel directories
+        # in $out.
+        #
+        # NOTE: there are clashes with packages that have symlinks outside their
+        # scope (libtcm and env/vars.sh)
+        all = symlinkJoin {
+          pname = finalAttrs.finalPackage.pname + "-symlinked";
+          inherit (finalAttrs.finalPackage) version;
+          paths = filter lib.isDerivation (attrValues finalAttrs.finalPackage.pkgs);
+        };
+
+        stdenv = overrideCC stdenv finalAttrs.finalPackage.cc;
+
+        cc = wrapIntel {
+          cc = finalAttrs.finalPackage.pkgs.compiler;
+          extraBuildCommands = ''
+            wrap icx  $wrapper $ccPath/icx
+            wrap icpx $wrapper $ccPath/icpx
+            wrap ifx  $wrapper $ccPath/ifx
+
+            ln -s $out/bin/icpx $out/bin/c++
+            ln -s $out/bin/icx  $out/bin/cc
+
+            sed -i 's/.*isCxx=0/isCxx=1/' $out/bin/icpx
+          '';
+
+          extraInstallCommands = ''
+            export named_cc="icx"
+            export named_cxx="icpx"
+            export named_fc="ifx"
+          '';
+        };
+      };
+
+  })
+)

pkgs/intel-oneapi/deb/process.jq

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

pkgs/intel-oneapi/deb/toJson.awk

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

pkgs/intel-oneapi/deb/update.sh

@@ -0,0 +1,11 @@
+#!/bin/sh
+
+out_64=$(mktemp intel-api.64.XXXXXX)
+out_all=$(mktemp intel-api.all.XXXXXX)
+trap 'rm -f "$out_64" "$out_all"' EXIT INT HUP
+
+curl https://apt.repos.intel.com/oneapi/dists/all/main/binary-amd64/Packages -o "$out_64"
+curl https://apt.repos.intel.com/oneapi/dists/all/main/binary-all/Packages -o "$out_all"
+
+# NOTE: we use `jq -r tostring` to minify the json (3.2Mb -> 2.3Mb)
+cat "$out_64" "$out_all" | ./toJson.awk | ./process.jq | jq -r tostring >packages.json

pkgs/intel-oneapi/open/default.nix

@@ -0,0 +1,246 @@
+{
+  stdenv,
+  lib,
+  ninja,
+  autoAddDriverRunpath,
+  wrapCC,
+  cmake,
+  emhash,
+  fetchFromGitHub,
+  khronos-ocl-icd-loader,
+  libbacktrace,
+  opencl-headers,
+  parallel-hashmap,
+  perl,
+  pkg-config,
+  python3,
+  spirv-headers,
+  spirv-tools,
+  symlinkJoin,
+  zlib,
+
+  config,
+
+  cudaPackages ? null,
+  enableCuda ? config.cudaSupport,
+}:
+
+let
+
+  llvmMajorVersion = "21";
+  version = "6.2.1";
+  src = fetchFromGitHub {
+    owner = "intel";
+    repo = "llvm";
+    tag = "v${version}";
+    sha256 = "sha256-j8+DmGKO0qDF5JjH+DlkLKs1kBz6dS7ukwySd/Crqv0=";
+  };
+
+  pinned = {
+    inherit parallel-hashmap;
+
+    vc-intrinsics.src = fetchFromGitHub {
+      owner = "intel";
+      repo = "vc-intrinsics";
+      rev = "4e51b2467104a257c22788e343dafbdde72e28bb";
+      sha256 = "sha256-AHXeKbih4bzmcuu+tx2TeS7Ixmk54uS1vKFVxI6ZP8g=";
+    };
+
+    unified-memory-framework.src = fetchFromGitHub {
+      owner = "oneapi-src";
+      repo = "unified-memory-framework";
+      tag = "v0.11.0";
+      sha256 = "sha256-k8QdP2u1QOoeCZ6ps4sM8+1iZq/H3q0lqCfVk8mz9KI=";
+    };
+
+    ocl-headers = opencl-headers.overrideAttrs {
+      version = "2024.10.24";
+      src = fetchFromGitHub {
+        owner = "KhronosGroup";
+        repo = "OpenCL-Headers";
+        tag = "v2024.10.24";
+        sha256 = "sha256-KDlruE0IG8d+lAChxYyc6dg5XOvqCMrMyO69sdAzejA=";
+      };
+    };
+
+    ocl-icd = khronos-ocl-icd-loader;
+
+    spirv-headers = spirv-headers.overrideAttrs {
+      version = "1.4.309.0";
+      src = fetchFromGitHub {
+        owner = "KhronosGroup";
+        repo = "SPIRV-Headers";
+        tag = "vulkan-sdk-1.4.309.0";
+        sha256 = "sha256-Q1i6i5XimULuGufP6mimwDW674anAETUiIEvDQwvg5Y=";
+      };
+    };
+  };
+
+  fetchcontent_cmakeFlags = lib.mapAttrsToList (
+    name: value: (lib.cmakeFeature "FETCHCONTENT_SOURCE_DIR_${lib.toUpper name}" (toString value.src))
+  ) pinned;
+
+  # Hack to fix #include <emhash/...>
+  emhash' = symlinkJoin {
+    name = "emhash";
+    paths = [ emhash ];
+    postBuild = ''
+      pushd $out/include
+      ln -s . emhash
+      popd
+    '';
+  };
+
+in
+stdenv.mkDerivation {
+  pname = "intel-llvm";
+  inherit src version;
+
+  enableParallelBuilding = true;
+  strictDeps = true;
+
+  nativeBuildInputs = [
+    perl
+    cmake
+    ninja
+    pkg-config
+    python3
+    spirv-tools
+  ]
+  ++ lib.optionals enableCuda [
+    autoAddDriverRunpath
+    cudaPackages.cuda_nvcc
+  ];
+
+  buildInputs = [
+    emhash'
+    libbacktrace
+    zlib
+
+    pinned.ocl-icd
+    pinned.ocl-headers
+    pinned.spirv-headers
+  ]
+  ++ lib.optionals enableCuda [
+    cudaPackages.cudatoolkit
+  ];
+
+  patches = [ ./fix-ur.patch ]; # Has been fixed in next release
+
+  preBuild = ''
+    chmod -R u+w /build/source
+  '';
+
+  cmakeDir = "../llvm";
+
+  cmakeFlags =
+    let
+      cmakeList = name: l: lib.cmakeOptionType "list" name (builtins.concatStringsSep ";" l);
+
+      LLVM_EXTERNAL_PROJECTS = [
+        "sycl"
+        "llvm-spirv"
+        "opencl"
+        "xpti"
+        "xptifw"
+        "compiler-rt"
+        "sycl-jit"
+        "libdevice"
+      ]
+      ++ lib.optionals enableCuda [
+        "libclc"
+      ];
+    in
+    [
+      (lib.cmakeBool "LLVM_ENABLE_ASSERTIONS" true)
+
+      (cmakeList "LLVM_TARGETS_TO_BUILD" (
+        [
+          "host"
+          "SPIRV"
+        ]
+        ++ lib.optionals enableCuda [ "NVPTX" ]
+      ))
+      (cmakeList "LLVM_EXTERNAL_PROJECTS" LLVM_EXTERNAL_PROJECTS)
+      (cmakeList "LLVM_ENABLE_PROJECTS" ([ "clang" ] ++ LLVM_EXTERNAL_PROJECTS))
+
+      (lib.cmakeBool "UR_USE_EXTERNAL_UMF" false)
+      (lib.cmakeOptionType "path" "UR_OPENCL_INCLUDE_DIR" (toString pinned.ocl-headers))
+      (lib.cmakeOptionType "path" "UR_OPENCL_ICD_LOADER_LIBRARY" (toString pinned.ocl-icd))
+      (lib.cmakeFeature "UR_OPENCL_ICD_LOADER_LIBRARY" (toString pinned.ocl-icd))
+
+      (lib.cmakeBool "BUILD_SHARED_LIBS" false)
+      (lib.cmakeBool "LLVM_BUILD_TOOLS" true)
+      (lib.cmakeBool "LLVM_ENABLE_ZSTD" true)
+      (lib.cmakeBool "LLVM_USE_STATIC_ZSTD" true)
+      (lib.cmakeBool "LLVM_ENABLE_DOXYGEN" false)
+      (lib.cmakeBool "LLVM_ENABLE_LLD" false)
+      (lib.cmakeBool "LLVM_ENABLE_SPHINX" false)
+      (lib.cmakeBool "LLVM_SPIRV_ENABLE_LIBSPIRV_DIS" false)
+      (lib.cmakeBool "SYCL_ENABLE_WERROR" false)
+      (lib.cmakeBool "SYCL_INCLUDE_TESTS" false)
+      (lib.cmakeBool "SYCL_ENABLE_EXTENSION_JIT" true)
+      (lib.cmakeBool "SYCL_ENABLE_MAJOR_RELEASE_PREVIEW_LIB" false)
+      (lib.cmakeBool "SYCL_ENABLE_XPTI_TRACING" true)
+      (lib.cmakeBool "XPTI_ENABLE_WERROR" false)
+
+      (cmakeList "SYCL_ENABLE_BACKENDS" ([ "opencl" ] ++ lib.optionals enableCuda [ "cuda" ]))
+    ]
+    ++ fetchcontent_cmakeFlags
+    ++ lib.optionals enableCuda [
+      (lib.cmakeOptionType "list" "LIBCLC_TARGETS_TO_BUILD" "nvptx64--nvidiacl")
+      (lib.cmakeBool "LIBCLC_GENERATE_REMANGLED_VARIANTS" true)
+      (lib.cmakeBool "LIBCLC_NATIVECPU_HOST_TARGET" false)
+    ];
+
+  hardeningDisable = [ "zerocallusedregs" ];
+
+  postPatch =
+
+    let
+      # See the postPatch phase for details on why this is used
+      ccWrapperStub = wrapCC (
+        stdenv.mkDerivation {
+          name = "ccWrapperStub";
+          dontUnpack = true;
+          installPhase = ''
+            mkdir -p $out/bin
+            cat > $out/bin/clang-${llvmMajorVersion} <<'EOF'
+            #!/bin/sh
+            exec "$NIX_BUILD_TOP/source/build/bin/clang-${llvmMajorVersion}" "$@"
+            EOF
+            chmod +x $out/bin/clang-${llvmMajorVersion}
+            cp $out/bin/clang-${llvmMajorVersion} $out/bin/clang
+            cp $out/bin/clang-${llvmMajorVersion} $out/bin/clang++
+          '';
+          passthru.isClang = true;
+        }
+      );
+    in
+    ''
+      # Parts of libdevice are built using the freshly-built compiler.
+      # As it tries to link to system libraries, we need to wrap it with the
+      # usual nix cc-wrapper.
+      # Since the compiler to be wrapped is not available at this point,
+      # we use a stub that points to where it will be later on
+      # in `$NIX_BUILD_TOP/source/build/bin/clang-${llvmMajorVersion}`
+      substituteInPlace libdevice/cmake/modules/SYCLLibdevice.cmake \
+        --replace-fail "\''${clang_exe}" "${ccWrapperStub}/bin/clang++"
+    '';
+
+  passthru = {
+    inherit llvmMajorVersion;
+    inherit enableCuda cudaPackages;
+  };
+
+  meta = {
+    homepage = "https://github.com/intel/llvm";
+    description = "Intel staging area for llvm.org contribution";
+    maintainers = with lib.maintainers.bsc; [ abonerib ];
+    platforms = lib.platforms.linux;
+    license = [
+      lib.licenses.asl20
+      lib.licenses.llvm-exception
+    ];
+  };
+}

pkgs/intel-oneapi/open/fix-ur.patch

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

pkgs/intel-oneapi/update.sh

@@ -1,4 +0,0 @@
-#!/bin/sh
-
-curl https://apt.repos.intel.com/oneapi/dists/all/main/binary-amd64/Packages -o amd64-packages
-curl https://apt.repos.intel.com/oneapi/dists/all/main/binary-all/Packages -o all-packages

pkgs/libpsm2/default.nix

@@ -0,0 +1,44 @@
+{ stdenv, lib, fetchFromGitHub, numactl, pkg-config }:
+
+let
+  version = "11.2.185";
+in
+stdenv.mkDerivation {
+  pname = "libpsm2";
+  inherit version;
+
+  preConfigure= ''
+    export UDEVDIR=$out/etc/udev
+    substituteInPlace ./Makefile --replace "udevrulesdir}" "prefix}/etc/udev";
+  '';
+
+  enableParallelBuilding = true;
+
+  buildInputs = [ numactl pkg-config ];
+
+  installFlags = [ 
+    "DESTDIR=$(out)"
+    "UDEVDIR=/etc/udev"
+    "LIBPSM2_COMPAT_CONF_DIR=/etc"
+  ];
+
+  src = fetchFromGitHub {
+    owner = "intel";
+    repo = "opa-psm2";
+    rev = "PSM2_${version}";
+    sha256 = "062hg4r6gz7pla9df70nqs5i2a3mp1wszmp4l0g771fykhhrxsjg";
+  };
+
+  postInstall = ''
+    mv $out/usr/* $out
+    rmdir $out/usr
+  '';
+
+  meta = with lib; {
+    homepage = "https://github.com/intel/opa-psm2";
+    description = "The PSM2 library supports a number of fabric media and stacks";
+    license = with licenses; [ gpl2 bsd3 ];
+   platforms = [ "x86_64-linux" ];
+    maintainers = [ maintainers.bzizou ];
+  };
+}

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

@@ -3,6 +3,7 @@
 , lib
 , gcc
 , clangOmpss2Unwrapped
+, writeShellScript
 , openmp ? null
 , wrapCCWith
 , llvmPackages_latest
@@ -27,20 +28,17 @@ 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;
   inherit gcc;
   cc = clangOmpss2Unwrapped;
   gccVersion = with versions; let v = gcc.version; in concatStringsSep "." [(major v) (minor v) (patch v)];
-in wrapCCWith {
-  inherit cc bintools;
-  # extraPackages adds packages to depsTargetTargetPropagated
-  extraPackages = optional (openmp != null) openmp;
+
   extraBuildCommands = ''
     echo "-target ${targetConfig}" >> $out/nix-support/cc-cflags
     echo "-B${gcc.cc}/lib/gcc/${targetConfig}/${gccVersion}" >> $out/nix-support/cc-cflags
@@ -57,14 +55,50 @@ in wrapCCWith {
     echo "--gcc-toolchain=${gcc}" >> $out/nix-support/cc-cflags
 
     wrap clang++  $wrapper $ccPath/clang++
-
-  '' + optionalString (openmp != null) ''
-    echo "export OPENMP_RUNTIME=${ompname}" >> $out/nix-support/cc-wrapper-hook
-  '' + optionalString (ompss2rt != null) ''
-    echo "export OMPSS2_RUNTIME=${rtname}" >> $out/nix-support/cc-wrapper-hook
-    echo "export ${homevar}=${ompss2rt}"   >> $out/nix-support/cc-wrapper-hook
-  '' + optionalString (ompss2rt != null && ompss2rt.pname == "nodes") ''
-    echo "export NOSV_HOME=${ompss2rt.nosv}" >> $out/nix-support/cc-wrapper-hook
   '';
-}
 
+  envExports = lib.optionalString (openmp != null) ''
+      echo "export OPENMP_RUNTIME=${ompname}" >> $out/nix-support/cc-wrapper-hook
+    '' + optionalString (ompss2rt != null) ''
+      echo "export OMPSS2_RUNTIME=${rtname}" >> $out/nix-support/cc-wrapper-hook
+      echo "export ${homevar}=${ompss2rt}"   >> $out/nix-support/cc-wrapper-hook
+    '' + optionalString (ompss2rt != null && ompss2rt.pname == "nodes") ''
+      echo "export NOSV_HOME=${ompss2rt.nosv}" >> $out/nix-support/cc-wrapper-hook
+    '';
+
+  extraPackages = optional (openmp != null) openmp;
+
+  wrappedCC = wrapCCWith {
+    # extraPackages adds packages to depsTargetTargetPropagated
+    inherit cc bintools extraPackages;
+    extraBuildCommands = extraBuildCommands + envExports;
+  };
+
+  resetIntelCCFlags = let tconf = builtins.replaceStrings ["-"] ["_"] targetConfig;
+  in writeShellScript "remove-intel.sh" ''
+    if [ "''${NIX_CC_WRAPPER_INTEL:-0}" = 1 ]; then
+      unset NIX_CFLAGS_COMPILE_${tconf}
+      unset NIX_CC_WRAPPER_FLAGS_SET_${tconf}
+
+      if (( "''${NIX_DEBUG:-0}" >= 1 )); then
+        echo "ompss2: cleaned NIX_CFLAGS_COMPILE_${tconf} (invokation from intel compiler detected)"
+      fi
+    fi
+  '';
+
+  intelExtraBuildCommands = ''
+    sed -i 's|# Flirting.*|source ${resetIntelCCFlags}\n\n&|' $out/bin/clang
+    sed -i 's|# Flirting.*|source ${resetIntelCCFlags}\n\n&|' $out/bin/clang++
+  '';
+
+  wrappedCCIntel = wrapCCWith {
+    inherit cc bintools extraPackages;
+    # extraPackages adds packages to depsTargetTargetPropagated
+    extraBuildCommands = intelExtraBuildCommands + envExports;
+  };
+
+in wrappedCC.overrideAttrs (oldAttrs: {
+    passthru = oldAttrs.passthru // {
+      forIcpx = wrappedCCIntel;
+    };
+  })

pkgs/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/nanos6/jemalloc.nix

@@ -5,6 +5,7 @@ jemalloc.overrideAttrs (old: {
     "--with-jemalloc-prefix=nanos6_je_"
     "--enable-stats"
   ];
+  enableParallelBuilding = true;
   hardeningDisable = [ "all" ];
   meta = old.meta // {
     description = old.meta.description + " (for Nanos6)";

pkgs/nix-portable/default.nix

@@ -0,0 +1,650 @@
+with builtins;
+{
+  nix,
+  unzip,
+  zip,
+  unixtools,
+  stdenv,
+  buildPackages,
+  upx,
+
+  bootstrapPrograms ? [
+    "gitMinimal"
+    "netcat-openbsd"
+    "openssh"
+    "bashInteractive"
+  ],
+
+  cacert ? pkgs.cacert,
+  compression ? "zstd -19 -T0",
+  lib ? pkgs.lib,
+  pkgs ? import <nixpkgs> {},
+  # hardcode executable to run. Useful when creating a bundle.
+  bundledPackage ? null,
+
+  nixStatic,
+  busyboxStatic ? pkgs.pkgsStatic.busybox,
+  bwrapStatic ? pkgs.pkgsStatic.bubblewrap,
+  zstdStatic ? pkgs.pkgsStatic.zstd,
+
+  perlBuildBuild ? pkgs.pkgsBuildBuild.perl,
+}@inp:
+with lib;
+let
+
+  perl = perlBuildBuild;
+
+  pname =
+    if bundledPackage == null
+    then "nix-portable"
+    else lib.getName bundledPackage;
+
+  bundledExe = lib.getExe bundledPackage;
+
+  nixpkgsSrc = pkgs.path;
+
+  maketar = targets:
+    let
+      closureInfo = buildPackages.closureInfo { rootPaths = targets; };
+    in
+    stdenv.mkDerivation {
+      name = "nix-portable-store-tarball";
+      nativeBuildInputs = [ perl zstd ];
+      exportReferencesGraph = map (x: [("closure-" + baseNameOf x) x]) targets;
+      buildCommand = ''
+        storePaths=$(cat ${closureInfo}/store-paths)
+        mkdir $out
+        echo $storePaths > $out/index
+        cp -r ${closureInfo} $out/closureInfo
+
+        tar -cf - \
+          --owner=0 --group=0 --mode=u+rw,uga+r \
+          --hard-dereference \
+          $storePaths | ${compression} > $out/tar
+      '';
+    };
+
+  packStaticBin = binPath: let
+      binName = (last (splitString "/" binPath)); in
+    pkgs.runCommand
+    binName
+    { nativeBuildInputs = [ upx ]; }
+    ''
+      mkdir -p $out/bin
+      theBinPath=${binPath}
+
+      if [[ -L "$theBinPath" ]]; then
+        theBinPath=$(readlink -f "$theBinPath")
+      fi
+
+      upx -9 -o $out/bin/${binName} $theBinPath
+    '';
+
+  installBin = pkg: bin: ''
+    unzip -qqoj "\$self" ${ lib.removePrefix "/" "${pkg}/bin/${bin}"} -d \$dir/bin
+    chmod +wx \$dir/bin/${bin};
+  '';
+
+  installDynamic = pkgname: let
+    out = pkgs.${pkgname}.out;
+  in ''
+    if [ ! -e \$store${lib.removePrefix "/nix/store" pkgs.${pkgname}.out} ] ; then
+      debug "Installing ${pkgname}"
+      \$run \$store${lib.removePrefix "/nix/store" nix}/bin/nix build --impure --no-link --expr "
+        (import ${nixpkgsSrc} {}).${pkgname}.out
+      "
+    else
+      debug "${pkgname} already installed"
+    fi
+
+    export PATH="${out}/bin:\$PATH"
+  '';
+
+  caBundleZstd = pkgs.runCommand "cacerts" {} "cat ${cacert}/etc/ssl/certs/ca-bundle.crt | ${zstd}/bin/zstd -19 > $out";
+
+  bwrap = packStaticBin "${bwrapStatic}/bin/bwrap";
+  nixStatic = packStaticBin "${inp.nixStatic}/bin/nix";
+  zstd = packStaticBin "${zstdStatic}/bin/zstd";
+
+  # the default nix store contents to extract when first used
+  storeTar = maketar ([ cacert nix nixpkgsSrc ] ++ lib.optional (bundledPackage != null) bundledPackage);
+
+
+  # The runtime script which unpacks the necessary files to $HOME/.nix-portable
+  # and then executes nix via bwrap
+  # Some shell expressions will be evaluated at build time and some at run time.
+  # Variables/expressions escaped via `\$` will be evaluated at run time
+  runtimeScript = ''
+    #!/usr/bin/env bash
+
+    set -eo pipefail
+
+    start=\$(date +%s%N)  # start time in nanoseconds
+
+    # dump environment on exit if debug is enabled
+    if [ -n "\$NP_DEBUG" ] && [ "\$NP_DEBUG" -ge 1 ]; then
+      trap "declare -p > \''${TMPDIR:-/tmp}/np_env" EXIT
+    fi
+
+    set -e
+    if [ -n "\$NP_DEBUG" ] && [ "\$NP_DEBUG" -ge 2 ]; then
+      set -x
+    fi
+
+    # &3 is our error out which we either forward to &2 or to /dev/null
+    # depending on the setting
+    if [ -n "\$NP_DEBUG" ] && [ "\$NP_DEBUG" -ge 1 ]; then
+      debug(){
+        echo \$@ || true
+      }
+      exec 3>&2
+    else
+      debug(){
+        true
+      }
+      exec 3>/dev/null
+    fi
+
+    # to reference this script's file
+    self="\$(realpath \''${BASH_SOURCE[0]})"
+
+    # fingerprint will be inserted by builder
+    fingerprint="_FINGERPRINT_PLACEHOLDER_"
+
+    # user specified location for program files and nix store
+    [ -z "\$NP_LOCATION" ] && NP_LOCATION="\$HOME"
+    NP_LOCATION="\$(readlink -f "\$NP_LOCATION")"
+    dir="\$NP_LOCATION/.nix-portable"
+
+    # Create NP_LOCATION and remove sgid bit
+    mkdir -p \$dir
+    if [ ! -z "\$BSC_MACHINE" ]; then
+      # Attempt to avoid issues with sgid folders
+      chmod g-s \$dir
+      chgrp bsc \$dir
+    fi
+
+    store="\$dir/nix/store"
+    # create /nix/var/nix to prevent nix from falling back to chroot store.
+    mkdir -p \$dir/{bin,nix/var/nix,nix/store}
+
+    # create minimal drv file for nix to spawn a nix shell
+    echo 'builtins.derivation {name="foo"; builder="/bin/sh"; args = ["-c" "echo hello \> \\\$out"]; system=builtins.currentSystem;}' > "\$dir/mini-drv.nix"
+
+    # the fingerprint being present inside a file indicates that
+    # this version of nix-portable has already been initialized
+    if test -e \$dir/conf/fingerprint && [ "\$(cat \$dir/conf/fingerprint)" == "\$fingerprint" ]; then
+      newNPVersion=false
+    else
+      newNPVersion=true
+    fi
+
+    # Nix portable ships its own nix.conf
+    export NIX_CONF_DIR=\$dir/conf/
+
+    NP_CONF_SANDBOX=\''${NP_CONF_SANDBOX:-false}
+    NP_CONF_STORE=\''${NP_CONF_STORE:-auto}
+
+
+    recreate_nix_conf(){
+      mkdir -p "\$NIX_CONF_DIR"
+      rm -f "\$NIX_CONF_DIR/nix.conf"
+
+      # static config
+      echo "build-users-group = " >> \$dir/conf/nix.conf
+      echo "experimental-features = nix-command flakes" >> \$dir/conf/nix.conf
+      echo "ignored-acls = security.selinux system.nfs4_acl" >> \$dir/conf/nix.conf
+      echo "sandbox-paths = /bin/sh=\$dir/busybox/bin/busybox" >> \$dir/conf/nix.conf
+      echo "extra-substituters = https://jungle.bsc.es/cache">> \$dir/conf/nix.conf
+      echo "extra-trusted-public-keys = jungle.bsc.es:pEc7MlAT0HEwLQYPtpkPLwRsGf80ZI26aj29zMw/HH0=" >> \$dir/conf/nix.conf
+
+      echo "extra-system-features = sys-devices" >> \$dir/conf/nix.conf
+      echo "extra-sandbox-paths = /sys/devices/system/cpu=/sys/devices/system/cpu /sys/devices/system/node=/sys/devices/system/node" >> \$dir/conf/nix.conf
+      echo "extra-trusted-users = @bsc" >> \$dir/conf/nix.conf
+
+
+      # configurable config
+      echo "sandbox = \$NP_CONF_SANDBOX" >> \$dir/conf/nix.conf
+      echo "store = \$NP_CONF_STORE" >> \$dir/conf/nix.conf
+    }
+
+
+    ### install files
+
+    PATH_OLD="\$PATH"
+
+    # as soon as busybox is unpacked, restrict PATH to busybox to ensure reproducibility of this script
+    # only unpack binaries if necessary
+    if [ "\$newNPVersion" == "false" ]; then
+
+      debug "binaries already installed"
+      # our busybox does not run on termux, therefore we suffix the PATH only on termux
+      export PATH="\''${TERMUX_VERSION:+\$PATH:}\$dir/busybox/bin"
+
+    else
+
+      debug "installing files"
+
+      mkdir -p \$dir/emptyroot
+
+      # install busybox
+      mkdir -p \$dir/busybox/bin
+      (base64 -d> "\$dir/busybox/bin/busybox" && chmod +x "\$dir/busybox/bin/busybox") << END
+    $(cat ${busyboxStatic}/bin/busybox | base64)
+    END
+      busyBins="${toString (attrNames (filterAttrs (d: type: type == "symlink") (readDir "${busyboxStatic}/bin")))}"
+      for bin in \$busyBins; do
+        [ ! -e "\$dir/busybox/bin/\$bin" ] && ln -s busybox "\$dir/busybox/bin/\$bin"
+      done
+
+      # our busybox does not run on termux, therefore we suffix the PATH only on termux
+      export PATH="\''${TERMUX_VERSION:+\$PATH:}\$dir/busybox/bin"
+
+      # install other binaries
+      ${installBin zstd "zstd"}
+      ${installBin bwrap "bwrap"}
+      ${installBin nixStatic "nix"}
+
+      # install ssl cert bundle
+      unzip -poj "\$self" ${ lib.removePrefix "/" "${caBundleZstd}"} | \$dir/bin/zstd -d > \$dir/ca-bundle.crt
+
+      recreate_nix_conf
+    fi
+
+    # Override $SHELL with nix bashInteractive
+    export SHELL="${pkgs.bashInteractive.out}/bin/bash"
+    export PS1="\n\[\033[1;32m\][\[\e]0;\u@\h: \w\a\]\u@\h:\w]\$\[\033[0m\] "
+
+    # unset bash function aliases
+    unset -f which ml module
+
+    ### setup SSL
+    # find ssl certs or use from nixpkgs
+    debug "figuring out ssl certs"
+    if [ -z "\$SSL_CERT_FILE" ]; then
+      debug "SSL_CERT_FILE not defined. trying to find certs automatically"
+      if [ -e /etc/ssl/certs/ca-bundle.crt ]; then
+        export SSL_CERT_FILE=\$(realpath /etc/ssl/certs/ca-bundle.crt)
+        debug "found /etc/ssl/certs/ca-bundle.crt with real path \$SSL_CERT_FILE"
+      elif [ -e /etc/ssl/certs/ca-certificates.crt ]; then
+        export SSL_CERT_FILE=\$(realpath /etc/ssl/certs/ca-certificates.crt)
+        debug "found /etc/ssl/certs/ca-certificates.crt with real path \$SSL_CERT_FILE"
+      elif [ ! -e /etc/ssl/certs ]; then
+        debug "/etc/ssl/certs does not exist. Will use certs from nixpkgs."
+        export SSL_CERT_FILE=\$dir/ca-bundle.crt
+      else
+        debug "certs seem to reside in /etc/ssl/certs. No need to set up anything"
+      fi
+    fi
+    if [ -n "\$SSL_CERT_FILE" ]; then
+      sslBind="\$(realpath \$SSL_CERT_FILE) \$dir/ca-bundle.crt"
+      export SSL_CERT_FILE="\$dir/ca-bundle.crt"
+    else
+      sslBind="/etc/ssl /etc/ssl"
+    fi
+
+    if [ -n "\$NP_GIT" ]; then
+      echo "WARN: NP_GIT is not supported, using nix version instead"
+    fi
+
+
+
+    storePathOfFile(){
+      file=\$(realpath \$1)
+      sPath="\$(echo \$file | awk -F "/" 'BEGIN{OFS="/";}{print \$2,\$3,\$4}')"
+      echo "/\$sPath"
+    }
+
+
+    collectBinds(){
+      pathsTopLevel="/boot /run /sys \$PWD /gpfs /tmp /scratch"
+
+      toBind=""
+      for p in \$pathsTopLevel; do
+        if [ -e "\$p" ]; then
+          real=\$(realpath \$p)
+          if [ -e "\$real" ]; then
+            if [[ "\$real" == /nix/store/* ]]; then
+              storePath=\$(storePathOfFile \$real)
+              toBind="\$toBind \$storePath \$storePath"
+            else
+              toBind="\$toBind \$real \$p"
+            fi
+          fi
+        fi
+      done
+
+
+      # TODO: add /var/run/dbus/system_bus_socket
+      paths="/etc/host.conf /etc/hosts /etc/hosts.equiv /etc/mtab /etc/netgroup /etc/networks /etc/passwd /etc/group /etc/nsswitch.conf /etc/resolv.conf /etc/localtime \$HOME"
+
+      for p in \$paths; do
+        if [ -e "\$p" ]; then
+          real=\$(realpath \$p)
+          if [ -e "\$real" ]; then
+            if [[ "\$real" == /nix/store/* ]]; then
+              storePath=\$(storePathOfFile \$real)
+              toBind="\$toBind \$storePath \$storePath"
+            else
+              toBind="\$toBind \$real \$real"
+            fi
+          fi
+        fi
+      done
+
+      # provide /bin/sh via the shipped busybox
+      toBind="\$toBind \$dir/busybox/bin/busybox /bin/sh"
+      toBind="\$toBind \$dir/busybox/bin/busybox /usr/bin/env"
+
+      # on termux, make sure termux packages still work inside the nix-portable environment
+      if [ -n "\$TERMUX_VERSION" ]; then
+        # binds required so termux native packages still run inside the nix-portable sandbox
+        # TODO: this doesn't quite work yet. debug and fix
+        toBind="\$toBind /system/lib64/libc.so /system/lib64/libc.so"
+        toBind="\$toBind /system/lib64/ld-android.so /system/lib64/ld-android.so"
+        toBind="\$toBind /system/lib64/libdl.so /system/lib64/libdl.so"
+        toBind="\$toBind /system/bin /system/bin"
+        toBind="\$toBind /system/lib64 /system/lib64"
+        toBind="\$toBind /apex/com.android.runtime/bin /apex/com.android.runtime/bin"
+        toBind="\$toBind /linkerconfig/ld.config.txt /linkerconfig/ld.config.txt"
+        toBind="\$toBind \$dir/ca-bundle.crt /etc/ssl/certs/ca-certificates.crt"
+        toBind="\$toBind \$(realpath \$HOME/../usr/etc/resolv.conf) /etc/resolv.conf"
+      fi
+
+    }
+
+
+    makeBindArgs(){
+      arg=\$1; shift
+      sep=\$1; shift
+      binds=""
+      while :; do
+        if [ -n "\$1" ]; then
+          from="\$1"; shift
+          to="\$1"; shift || { echo "no bind destination provided for \$from!"; exit 3; }
+          binds="\$binds \$arg \$from\$sep\$to";
+        else
+          break
+        fi
+      done
+    }
+
+
+
+    ### select container runtime
+    debug "figuring out which runtime to use"
+    [ -z "\$NP_BWRAP" ] && NP_BWRAP=\$dir/bin/bwrap
+    debug "bwrap executable: \$NP_BWRAP"
+    [ -z "\$NP_NIX" ] && NP_NIX=\$dir/bin/nix
+    debug "nix executable: \$NP_NIX"
+    debug "testing all available runtimes..."
+    if [ -z "\$NP_RUNTIME" ]; then
+      # read last automatic selected runtime from disk
+      if [ "\$newNPVersion" == "true" ]; then
+        debug "removing cached auto selected runtime"
+        rm -f "\$dir/conf/last_auto_runtime"
+      fi
+      if [ -f "\$dir/conf/last_auto_runtime" ]; then
+        last_auto_runtime="\$(cat "\$dir/conf/last_auto_runtime")"
+      else
+        last_auto_runtime=
+      fi
+      debug "last auto selected runtime: \$last_auto_runtime"
+      if [ "\$last_auto_runtime" != "" ]; then
+        NP_RUNTIME="\$last_auto_runtime"
+      # check if nix --store works
+      elif \\
+          debug "testing nix --store" \\
+          && mkdir -p \$dir/tmp/ \\
+          && touch \$dir/tmp/testfile \\
+          && "\$NP_NIX" --store "\$dir/tmp/__store" shell -f "\$dir/mini-drv.nix" -c "\$dir/bin/nix" store add-file --store "\$dir/tmp/__store" "\$dir/tmp/testfile" >/dev/null 2>&3; then
+        chmod -R +w \$dir/tmp/__store
+        rm -r \$dir/tmp/__store
+        debug "nix --store works on this system -> will use nix as runtime"
+        NP_RUNTIME=nix
+      # check if bwrap works properly
+      elif \\
+          debug "nix --store failed -> testing bwrap" \\
+          && \$NP_BWRAP --bind \$dir/emptyroot / --bind \$dir/ /nix --bind \$dir/busybox/bin/busybox "\$dir/true" "\$dir/true" 2>&3 ; then
+        debug "bwrap seems to work on this system -> will use bwrap"
+        NP_RUNTIME=bwrap
+      else
+        debug "bwrap doesn't work on this system -> will use proot"
+        NP_RUNTIME=proot
+      fi
+      echo -n "\$NP_RUNTIME" > "\$dir/conf/last_auto_runtime"
+    else
+      debug "runtime selected via NP_RUNTIME: \$NP_RUNTIME"
+    fi
+    debug "NP_RUNTIME: \$NP_RUNTIME"
+    if [ "\$NP_RUNTIME" == "nix" ]; then
+      run="\$NP_NIX shell -f \$dir/mini-drv.nix -c"
+      export PATH="\$PATH:\$store${lib.removePrefix "/nix/store" nix}/bin"
+      NP_CONF_STORE="\$dir"
+      recreate_nix_conf
+    elif [ "\$NP_RUNTIME" == "bwrap" ]; then
+      collectBinds
+      makeBindArgs --bind " " \$toBind \$sslBind
+      run="\$NP_BWRAP \$BWRAP_ARGS \\
+        --bind \$dir/emptyroot /\\
+        --dev-bind /dev /dev\\
+        --proc /proc\\
+        --bind \$dir/nix /nix\\
+        \$binds"
+        # --bind \$dir/busybox/bin/busybox /bin/sh\\
+    else
+      # proot
+      echo Unsupported runtime: $NP_RUNTIME
+      exit 1
+    fi
+    debug "base command will be: \$run"
+
+
+
+    ### setup environment
+    export NIX_PATH="\$dir/channels:nixpkgs=\$dir/channels/nixpkgs"
+    mkdir -p \$dir/channels
+    [ -h \$dir/channels/nixpkgs ] || ln -s ${nixpkgsSrc} \$dir/channels/nixpkgs
+
+
+    ### install nix store
+    # Install all the nix store paths necessary for the current nix-portable version
+    # We only unpack missing store paths from the tar archive.
+    index="$(cat ${storeTar}/index)"
+
+    export missing=\$(
+      for path in \$index; do
+        basepath=\$(basename \$path)
+        if [ ! -e \$store/\$basepath ]; then
+          echo "nix/store/\$basepath"
+        fi
+      done
+    )
+
+    if [ -n "\$missing" ]; then
+      debug "extracting missing store paths"
+      (
+        mkdir -p \$dir/tmp \$store/
+        rm -rf \$dir/tmp/*
+        cd \$dir/tmp
+        unzip -qqp "\$self" ${ lib.removePrefix "/" "${storeTar}/tar"} \
+          | \$dir/bin/zstd -d \
+          | tar -x \$missing --strip-components 2
+        mv \$dir/tmp/* \$store/
+      )
+      rm -rf \$dir/tmp
+    fi
+
+    if [ -n "\$missing" ]; then
+      debug "registering new store paths to DB"
+      reg="$(cat ${storeTar}/closureInfo/registration)"
+      cmd="\$run \$store${lib.removePrefix "/nix/store" nix}/bin/nix-store --load-db"
+      debug "running command: \$cmd"
+      echo "\$reg" | \$cmd
+    fi
+
+
+    ### select executable
+    # the executable can either be selected by
+    # - executing './nix-portable BIN_NAME',
+    # - symlinking to nix-portable, in which case the name of the symlink selects the nix executable
+    # Alternatively the executable can be hardcoded by specifying the argument 'executable' of nix-portable's default.nix file.
+    executable="${if bundledPackage == null then "" else bundledExe}"
+    if [ "\$executable" != "" ]; then
+      bin="\$executable"
+      debug "executable is hardcoded to: \$bin"
+
+    elif [[ "\$(basename \$0)" == nix-portable* ]]; then\
+      if [ -z "\$1" ]; then
+        echo "Error: please specify the nix binary to execute"
+        echo "Alternatively symlink against \$0"
+        exit 1
+      elif [ "\$1" == "debug" ]; then
+        bin="\$(which \$2)"
+        shift; shift
+      else
+        bin="\$store${lib.removePrefix "/nix/store" nix}/bin/\$1"
+        shift
+      fi
+    # for binary selection via symlink
+    else
+      bin="\$store${lib.removePrefix "/nix/store" nix}/bin/\$(basename \$0)"
+    fi
+
+
+
+    ### check which runtime has been used previously
+    if [ -f "\$dir/conf/last_runtime" ]; then
+      lastRuntime=\$(cat "\$dir/conf/last_runtime")
+    else
+      lastRuntime=
+    fi
+
+
+
+    ### check if nix is functional with or without sandbox
+    # sandbox-fallback is not reliable: https://github.com/NixOS/nix/issues/4719
+    if [ "\$newNPVersion" == "true" ] || [ "\$lastRuntime" != "\$NP_RUNTIME" ]; then
+      nixBin="\$(dirname \$bin)/nix"
+      debug "Testing if nix can build stuff without sandbox"
+      if ! \$run "\$nixBin" build --no-link -f "\$dir/mini-drv.nix" --option sandbox false >&3 2>&3; then
+        echo "Fatal error: nix is unable to build packages"
+        exit 1
+      fi
+
+      debug "Testing if nix sandbox is functional"
+      if ! \$run "\$nixBin" build --no-link -f "\$dir/mini-drv.nix" --option sandbox true >&3 2>&3; then
+        debug "Sandbox doesn't work -> disabling sandbox"
+        NP_CONF_SANDBOX=false
+        recreate_nix_conf
+      else
+        debug "Sandboxed builds work -> enabling sandbox"
+        NP_CONF_SANDBOX=true
+        recreate_nix_conf
+      fi
+
+    fi
+
+
+    ### save fingerprint and lastRuntime
+    if [ "\$newNPVersion" == "true" ]; then
+      echo -n "\$fingerprint" > "\$dir/conf/fingerprint"
+    fi
+    if [ "\$lastRuntime" != \$NP_RUNTIME ]; then
+      echo -n \$NP_RUNTIME > "\$dir/conf/last_runtime"
+    fi
+
+
+
+    ### set PATH
+    export PATH="\$dir/busybox/bin"
+    export PATH="\$PATH:\$store${lib.removePrefix "/nix/store" nix}/bin"
+
+    ### install programs via nix
+    ${concatMapStringsSep "\n" installDynamic bootstrapPrograms}
+
+    ### print elapsed time
+    end=\$(date +%s%N)  # end time in nanoseconds
+    # time elapsed in millis with two decimal places
+
+    # print stats about initialization time of nix-portable
+    # skipt for termux, as it doesn't have bc installed
+    if [ -z "\$TERMUX_VERSION" ]; then
+      elapsed=\$(echo "scale=2; (\$end - \$start)/1000000" | bc)
+      debug "Time to initialize nix-portable: \$elapsed millis"
+    fi
+
+
+    ### run commands
+    [ -z "\$NP_RUN" ] && NP_RUN="\$run"
+    if [ "\$NP_RUNTIME" == "proot" ]; then
+      debug "running command: \$NP_RUN \$bin \$@"
+      exec \$NP_RUN \$bin "\$@"
+    else
+      cmd="\$NP_RUN \$bin \$@"
+      debug "running command: \$cmd"
+      exec \$NP_RUN \$bin "\$@"
+    fi
+    exit
+  '';
+
+  runtimeScriptEscaped = replaceStrings ["\""] ["\\\""] runtimeScript;
+
+  nixPortable = pkgs.runCommand pname {
+    nativeBuildInputs = [unixtools.xxd unzip];
+
+    meta = {
+      homepage = "https://github.com/DavHau/nix-portable";
+      description = "Nix - Static, Permissionless, Installation-free, Pre-configured for mn5";
+      maintainers = with lib.maintainers.bsc; [ abonerib ];
+      platforms = lib.platforms.linux;
+      license = lib.licenses.mit;
+    };
+  } ''
+    mkdir -p $out/bin
+    echo "${runtimeScriptEscaped}" > $out/bin/nix-portable.zip
+    xxd $out/bin/nix-portable.zip | tail
+
+    sizeA=$(printf "%08x" `stat -c "%s" $out/bin/nix-portable.zip` | tac -rs ..)
+    echo 504b 0304 0000 0000 0000 0000 0000 0000 | xxd -r -p >> $out/bin/nix-portable.zip
+    echo 0000 0000 0000 0000 0000 0200 0000 4242 | xxd -r -p >> $out/bin/nix-portable.zip
+
+    sizeB=$(printf "%08x" `stat -c "%s" $out/bin/nix-portable.zip` | tac -rs ..)
+    echo 504b 0102 0000 0000 0000 0000 0000 0000 | xxd -r -p >> $out/bin/nix-portable.zip
+    echo 0000 0000 0000 0000 0000 0000 0200 0000 | xxd -r -p >> $out/bin/nix-portable.zip
+    echo 0000 0000 0000 0000 0000 $sizeA 4242 | xxd -r -p >> $out/bin/nix-portable.zip
+
+    echo 504b 0506 0000 0000 0000 0100 3000 0000 | xxd -r -p >> $out/bin/nix-portable.zip
+    echo $sizeB 0000 0000 0000 0000 0000 0000 | xxd -r -p >> $out/bin/nix-portable.zip
+
+    unzip -vl $out/bin/nix-portable.zip
+
+    zip="${zip}/bin/zip -0"
+    $zip $out/bin/nix-portable.zip ${bwrap}/bin/bwrap
+    $zip $out/bin/nix-portable.zip ${nixStatic}/bin/nix
+    $zip $out/bin/nix-portable.zip ${zstd}/bin/zstd
+    $zip $out/bin/nix-portable.zip ${storeTar}/tar
+    $zip $out/bin/nix-portable.zip ${caBundleZstd}
+
+    # create fingerprint
+    fp=$(sha256sum $out/bin/nix-portable.zip | cut -d " "  -f 1)
+    sed -i "s/_FINGERPRINT_PLACEHOLDER_/$fp/g" $out/bin/nix-portable.zip
+    # fix broken zip header due to manual modification
+    ${zip}/bin/zip -F $out/bin/nix-portable.zip --out $out/bin/nix-portable-fixed.zip
+
+    rm $out/bin/nix-portable.zip
+    executable=${if bundledPackage == null then "" else bundledExe}
+    if [ "$executable" == "" ]; then
+      target="$out/bin/nix-portable"
+    else
+      target="$out/bin/$(basename "$executable")"
+    fi
+    mv $out/bin/nix-portable-fixed.zip "$target"
+    chmod +x "$target"
+  '';
+in
+nixPortable.overrideAttrs (prev: {
+  passthru = (prev.passthru or {}) // {
+    inherit bwrap;
+  };
+})

pkgs/nix-wrap/default.nix

@@ -14,7 +14,7 @@ let
   nixConfDir = "share";
   nix_wrap_sh = writeText "nix-wrap.sh" ''
     #!/usr/bin/env bash
-    #
+
     busybox_bin="${nixPrefix}${busybox}/bin"
     bubblewrap_bin="${nixPrefix}/${bubblewrap}/bin"
 
@@ -69,7 +69,6 @@ stdenv.mkDerivation rec {
   name = "nix-wrap";
   buildInputs = [
     bashInteractive
-    busybox
     nix
   ];
   src = null;
@@ -92,7 +91,6 @@ stdenv.mkDerivation rec {
     homepage = null;
     description = "nix bubblewrap wrapper";
     maintainers = [ ];
-    broken = true;
     platforms = lib.platforms.linux;
     license = lib.licenses.mit;
   };

pkgs/nix/default.nix

@@ -0,0 +1,219 @@
+{ lib, fetchurl, fetchFromGitHub, callPackage
+, storeDir ? "/nix/store"
+, stateDir ? "/nix/var"
+, confDir ? "/etc"
+, boehmgc
+, stdenv, llvmPackages_6
+}:
+
+let
+
+common =
+  { lib, stdenv, fetchpatch, perl, curl, bzip2, sqlite, openssl ? null, xz
+  , bash, coreutils, gzip, gnutar
+  , pkg-config, boehmgc, perlPackages, libsodium, brotli, boost, editline, nlohmann_json
+  , autoreconfHook, autoconf-archive, bison, flex, libxml2, libxslt, docbook5, docbook_xsl_ns
+  , jq, libarchive, rustc, cargo
+  # Used by tests
+  , gmock
+  , busybox-sandbox-shell
+  , storeDir
+  , stateDir
+  , confDir
+  , withLibseccomp ? lib.any (lib.meta.platformMatch stdenv.hostPlatform) libseccomp.meta.platforms, libseccomp
+  , withAWS ? stdenv.isLinux || stdenv.isDarwin, aws-sdk-cpp
+
+  , name, suffix ? "", src, crates ? null
+
+  }:
+  let
+     sh = busybox-sandbox-shell;
+     nix = stdenv.mkDerivation rec {
+      inherit name src;
+      version = lib.getVersion name;
+
+      is24 = lib.versionAtLeast version "2.4pre";
+      isExactly23 = lib.versionAtLeast version "2.3" && lib.versionOlder version "2.4";
+
+      VERSION_SUFFIX = suffix;
+
+      outputs = [ "out" "dev" "man" "doc" ];
+
+      nativeBuildInputs =
+        [ pkg-config ]
+        ++ lib.optionals is24 [ autoreconfHook autoconf-archive bison flex libxml2 libxslt
+                                docbook5 docbook_xsl_ns jq gmock ];
+
+      buildInputs =
+        [ curl openssl sqlite xz bzip2 nlohmann_json
+          brotli boost editline
+        ]
+        ++ lib.optional (stdenv.isLinux || stdenv.isDarwin) libsodium
+        ++ lib.optionals is24 [ libarchive rustc cargo ]
+        ++ lib.optional withLibseccomp libseccomp
+        ++ lib.optional withAWS
+            ((aws-sdk-cpp.override {
+              apis = ["s3" "transfer"];
+              customMemoryManagement = false;
+            }).overrideDerivation (args: {
+              patches = args.patches or [] ++ [(fetchpatch {
+                url = "https://github.com/edolstra/aws-sdk-cpp/commit/7d58e303159b2fb343af9a1ec4512238efa147c7.patch";
+                sha256 = "103phn6kyvs1yc7fibyin3lgxz699qakhw671kl207484im55id1";
+              })];
+            }));
+
+      propagatedBuildInputs = [ boehmgc ];
+
+      # Seems to be required when using std::atomic with 64-bit types
+      NIX_LDFLAGS = lib.optionalString (stdenv.hostPlatform.system == "armv5tel-linux" || stdenv.hostPlatform.system == "armv6l-linux") "-latomic";
+
+      preConfigure =
+        # Copy libboost_context so we don't get all of Boost in our closure.
+        # https://github.com/NixOS/nixpkgs/issues/45462
+        ''
+          mkdir -p $out/lib
+          cp -pd ${boost}/lib/{libboost_context*,libboost_thread*,libboost_system*} $out/lib
+          rm -f $out/lib/*.a
+          ${lib.optionalString stdenv.isLinux ''
+            chmod u+w $out/lib/*.so.*
+            patchelf --set-rpath $out/lib:${stdenv.cc.cc.lib}/lib $out/lib/libboost_thread.so.*
+          ''}
+        '' +
+        # Unpack the Rust crates.
+        lib.optionalString is24 ''
+          tar xvf ${crates} -C nix-rust/
+          mv nix-rust/nix-vendored-crates* nix-rust/vendor
+        '' +
+        # For Nix-2.3, patch around an issue where the Nix configure step pulls in the
+        # build system's bash and other utilities when cross-compiling
+        lib.optionalString (stdenv.buildPlatform != stdenv.hostPlatform && isExactly23) ''
+          mkdir tmp/
+          substitute corepkgs/config.nix.in tmp/config.nix.in \
+            --subst-var-by bash ${bash}/bin/bash \
+            --subst-var-by coreutils ${coreutils}/bin \
+            --subst-var-by bzip2 ${bzip2}/bin/bzip2 \
+            --subst-var-by gzip ${gzip}/bin/gzip \
+            --subst-var-by xz ${xz}/bin/xz \
+            --subst-var-by tar ${gnutar}/bin/tar \
+            --subst-var-by tr ${coreutils}/bin/tr
+          mv tmp/config.nix.in corepkgs/config.nix.in
+          '';
+
+      configureFlags =
+        [ "--with-store-dir=${storeDir}"
+          "--localstatedir=${stateDir}"
+          "--sysconfdir=${confDir}"
+          "--disable-init-state"
+          "--enable-gc"
+        ]
+        ++ lib.optionals stdenv.isLinux [
+          "--with-sandbox-shell=${sh}/bin/busybox"
+        ]
+        ++ lib.optional (
+            stdenv.hostPlatform != stdenv.buildPlatform && stdenv.hostPlatform ? nix && stdenv.hostPlatform.nix ? system
+        ) ''--with-system=${stdenv.hostPlatform.nix.system}''
+           # RISC-V support in progress https://github.com/seccomp/libseccomp/pull/50
+        ++ lib.optional (!withLibseccomp) "--disable-seccomp-sandboxing";
+
+      makeFlags = [ "profiledir=$(out)/etc/profile.d" ];
+
+      installFlags = [ "sysconfdir=$(out)/etc" ];
+
+      doInstallCheck = false;
+
+      # socket path becomes too long otherwise
+      #preInstallCheck = lib.optional stdenv.isDarwin ''
+      #  export TMPDIR=$NIX_BUILD_TOP
+      #'';
+
+      separateDebugInfo = stdenv.isLinux;
+
+      enableParallelBuilding = true;
+
+      meta = {
+        description = "Powerful package manager that makes package management reliable and reproducible";
+        longDescription = ''
+          Nix is a powerful package manager for Linux and other Unix systems that
+          makes package management reliable and reproducible. It provides atomic
+          upgrades and rollbacks, side-by-side installation of multiple versions of
+          a package, multi-user package management and easy setup of build
+          environments.
+        '';
+        homepage = "https://nixos.org/";
+        license = lib.licenses.lgpl2Plus;
+        maintainers = [ lib.maintainers.eelco ];
+        platforms = lib.platforms.unix;
+        outputsToInstall = [ "out" "man" ];
+      };
+
+      passthru = {
+        perl-bindings = stdenv.mkDerivation {
+          pname = "nix-perl";
+          inherit version;
+
+          inherit src;
+
+          postUnpack = "sourceRoot=$sourceRoot/perl";
+
+          # This is not cross-compile safe, don't have time to fix right now
+          # but noting for future travellers.
+          nativeBuildInputs =
+            [ perl pkg-config curl nix libsodium boost autoreconfHook autoconf-archive ];
+
+          configureFlags =
+            [ "--with-dbi=${perlPackages.DBI}/${perl.libPrefix}"
+              "--with-dbd-sqlite=${perlPackages.DBDSQLite}/${perl.libPrefix}"
+            ];
+
+          preConfigure = "export NIX_STATE_DIR=$TMPDIR";
+
+          preBuild = "unset NIX_INDENT_MAKE";
+        };
+      };
+    };
+  in nix;
+
+in rec {
+
+  nix = nixUnstable;
+
+  nixUnstable = lib.lowPrio (callPackage common rec {
+    name = "nix-2.4${suffix}";
+    suffix = "pre7534_b92f58f6";
+
+    #src = /home/Computational/rarias/nix/nix-rodarima;
+    src = fetchFromGitHub {
+      owner = "rodarima";
+      repo = "nix";
+      rev = "3a642187c33ed46d952d3a50a83b2576b704fab7";
+      sha256 = "0s8is2czpkcj1x1kcjqgbnsbbl03w3fwjjiclsd44zh1ij3wb90s";
+    };
+
+    crates = fetchurl {
+      url = "https://hydra.nixos.org/build/118797694/download/1/nix-vendored-crates-2.4pre7534_b92f58f6.tar.xz";
+      sha256 = "a4c2612bbd81732bbb899bc0c230e07b16f6b6150ffbb19c4907dedbbc2bf9fc";
+    };
+
+    inherit storeDir stateDir confDir boehmgc;
+  });
+
+  nixFlakes = lib.lowPrio (callPackage common rec {
+    name = "nix-2.4${suffix}";
+    suffix = "pre20200521_00b562c";
+
+    src = fetchFromGitHub {
+      owner = "NixOS";
+      repo = "nix";
+      rev = "00b562c87ec4c3bbe514f5dc1f4d1c41f66f66bf";
+      sha256 = "0s8is2czpkcj1x1kcjqgbnsbbl03w3fwjjiclsd44zh1ij3wb90s";
+    };
+
+    crates = fetchurl {
+      url = "https://hydra.nixos.org/build/118093786/download/1/nix-vendored-crates-2.4pre20200501_941f952.tar.xz";
+      sha256 = "060f4n5srdbb8vsj0m14aqch7im79a4h5g3nrs41p1xc602vhcdl";
+    };
+
+    inherit storeDir stateDir confDir boehmgc;
+  });
+
+}

pkgs/nix/static.nix

@@ -0,0 +1,214 @@
+{ lib, fetchurl, fetchFromGitHub, callPackage
+, storeDir ? "/nix/store"
+, stateDir ? "/nix/var"
+, confDir ? "/etc"
+, boehmgc
+, stdenv, llvmPackages_6
+, sandbox-shell ? "/bin/sh"
+}:
+
+let
+
+enableStatic = true;
+
+common =
+  { lib, stdenv, fetchpatch, perl, curl, bzip2, sqlite, openssl ? null, xz
+  , bash, coreutils, gzip, gnutar
+  , pkg-config, boehmgc, perlPackages, libsodium, brotli, boost, editline, nlohmann_json
+  , autoreconfHook, autoconf-archive, bison, flex, libxml2, libxslt, docbook5, docbook_xsl_ns
+  , jq, libarchive
+  # Used by tests
+  , gmock
+  , storeDir
+  , stateDir
+  , confDir
+  , withLibseccomp ? lib.any (lib.meta.platformMatch stdenv.hostPlatform) libseccomp.meta.platforms, libseccomp
+  , withAWS ? !enableStatic && (stdenv.isLinux || stdenv.isDarwin), aws-sdk-cpp
+  , enableStatic ? true
+  , name, suffix ? "", src
+
+  }:
+  let
+     nix = stdenv.mkDerivation rec {
+      inherit name src;
+      version = lib.getVersion name;
+
+      is24 = lib.versionAtLeast version "2.4pre";
+      isExactly23 = lib.versionAtLeast version "2.3" && lib.versionOlder version "2.4";
+
+      VERSION_SUFFIX = suffix;
+
+      outputs = [ "out" "dev" "man" "doc" ];
+
+      nativeBuildInputs =
+        [ pkg-config ]
+        ++ lib.optionals is24 [ autoreconfHook autoconf-archive bison flex libxml2 libxslt
+                                docbook5 docbook_xsl_ns jq ];
+
+      buildInputs =
+        [ curl openssl sqlite xz bzip2 nlohmann_json
+          brotli boost editline boehmgc
+        ]
+        ++ lib.optional (stdenv.isLinux || stdenv.isDarwin) libsodium
+        ++ lib.optionals is24 [ libarchive gmock ]
+        ++ lib.optional withLibseccomp libseccomp
+        ++ lib.optional withAWS
+            ((aws-sdk-cpp.override {
+              apis = ["s3" "transfer"];
+              customMemoryManagement = false;
+            }).overrideDerivation (args: {
+              patches = args.patches or [] ++ [(fetchpatch {
+                url = "https://github.com/edolstra/aws-sdk-cpp/commit/7d58e303159b2fb343af9a1ec4512238efa147c7.patch";
+                sha256 = "103phn6kyvs1yc7fibyin3lgxz699qakhw671kl207484im55id1";
+              })];
+            }));
+
+      propagatedBuildInputs = [ boehmgc ];
+
+      # Seems to be required when using std::atomic with 64-bit types
+      NIX_LDFLAGS =
+        # need to list libraries individually until
+        # https://github.com/NixOS/nix/commit/3e85c57a6cbf46d5f0fe8a89b368a43abd26daba
+        # is in a release
+          lib.optionalString enableStatic "-lssl -lbrotlicommon -lssh2 -lz -lnghttp2 -lcrypto"
+
+        # need to detect it here until
+        # https://github.com/NixOS/nix/commits/74b4737d8f0e1922ef5314a158271acf81cd79f8
+        # is in a release
+        + lib.optionalString (stdenv.hostPlatform.system == "armv5tel-linux" || stdenv.hostPlatform.system == "armv6l-linux") "-latomic";
+
+      preConfigure =
+        # Copy libboost_context so we don't get all of Boost in our closure.
+        # https://github.com/NixOS/nixpkgs/issues/45462
+        lib.optionalString (!enableStatic) ''
+          mkdir -p $out/lib
+          cp -pd ${boost}/lib/{libboost_context*,libboost_thread*,libboost_system*} $out/lib
+          rm -f $out/lib/*.a
+          ${lib.optionalString stdenv.isLinux ''
+            chmod u+w $out/lib/*.so.*
+            patchelf --set-rpath $out/lib:${stdenv.cc.cc.lib}/lib $out/lib/libboost_thread.so.*
+          ''}
+        '' +
+        # For Nix-2.3, patch around an issue where the Nix configure step pulls in the
+        # build system's bash and other utilities when cross-compiling
+        lib.optionalString (stdenv.buildPlatform != stdenv.hostPlatform && isExactly23) ''
+          mkdir tmp/
+          substitute corepkgs/config.nix.in tmp/config.nix.in \
+            --subst-var-by bash ${bash}/bin/bash \
+            --subst-var-by coreutils ${coreutils}/bin \
+            --subst-var-by bzip2 ${bzip2}/bin/bzip2 \
+            --subst-var-by gzip ${gzip}/bin/gzip \
+            --subst-var-by xz ${xz}/bin/xz \
+            --subst-var-by tar ${gnutar}/bin/tar \
+            --subst-var-by tr ${coreutils}/bin/tr
+          mv tmp/config.nix.in corepkgs/config.nix.in
+          '';
+
+      configureFlags =
+        [ "--with-store-dir=${storeDir}"
+          "--localstatedir=${stateDir}"
+          "--sysconfdir=${confDir}"
+          "--disable-init-state"
+          "--enable-gc"
+        ]
+        ++ lib.optionals stdenv.isLinux [
+          "--with-sandbox-shell=${sandbox-shell}"
+        ]
+        ++ lib.optional (
+            stdenv.hostPlatform != stdenv.buildPlatform && stdenv.hostPlatform ? nix && stdenv.hostPlatform.nix ? system
+        ) ''--with-system=${stdenv.hostPlatform.nix.system}''
+           # RISC-V support in progress https://github.com/seccomp/libseccomp/pull/50
+        ++ lib.optional (!withLibseccomp) "--disable-seccomp-sandboxing";
+
+      makeFlags = [ "profiledir=$(out)/etc/profile.d" ]
+        ++ lib.optional (stdenv.hostPlatform != stdenv.buildPlatform) "PRECOMPILE_HEADERS=0";
+
+      installFlags = [ "sysconfdir=$(out)/etc" ];
+
+      doInstallCheck = true; # not cross
+
+      # socket path becomes too long otherwise
+      preInstallCheck = lib.optional stdenv.isDarwin ''
+        export TMPDIR=$NIX_BUILD_TOP
+      '';
+
+      separateDebugInfo = stdenv.isLinux;
+
+      enableParallelBuilding = true;
+
+      meta = {
+        description = "Powerful package manager that makes package management reliable and reproducible";
+        longDescription = ''
+          Nix is a powerful package manager for Linux and other Unix systems that
+          makes package management reliable and reproducible. It provides atomic
+          upgrades and rollbacks, side-by-side installation of multiple versions of
+          a package, multi-user package management and easy setup of build
+          environments.
+        '';
+        homepage = "https://nixos.org/";
+        license = lib.licenses.lgpl2Plus;
+        maintainers = [ lib.maintainers.eelco ];
+        platforms = lib.platforms.unix;
+        outputsToInstall = [ "out" "man" ];
+      };
+
+      passthru = {
+        perl-bindings = stdenv.mkDerivation {
+          pname = "nix-perl";
+          inherit version;
+
+          inherit src;
+
+          postUnpack = "sourceRoot=$sourceRoot/perl";
+
+          # This is not cross-compile safe, don't have time to fix right now
+          # but noting for future travellers.
+          nativeBuildInputs =
+            [ perl pkg-config curl nix libsodium boost autoreconfHook autoconf-archive ];
+
+          configureFlags =
+            [ "--with-dbi=${perlPackages.DBI}/${perl.libPrefix}"
+              "--with-dbd-sqlite=${perlPackages.DBDSQLite}/${perl.libPrefix}"
+            ];
+
+          preConfigure = "export NIX_STATE_DIR=$TMPDIR";
+
+          preBuild = "unset NIX_INDENT_MAKE";
+        };
+      };
+    };
+  in nix;
+
+in rec {
+
+  nix = nixStable;
+
+  nixStable = callPackage common (rec {
+    name = "nix-2.3.7";
+    src = fetchurl {
+      url = "https://nixos.org/releases/nix/${name}/${name}.tar.xz";
+      sha256 = "dd8f52849414e5a878afe7e797aa4e22bab77c875d9da5a38d5f1bada704e596";
+    };
+
+    inherit storeDir stateDir confDir boehmgc;
+  } // lib.optionalAttrs stdenv.cc.isClang {
+    stdenv = llvmPackages_6.stdenv;
+  });
+
+  nixUnstable = lib.lowPrio (callPackage common rec {
+    name = "nix-2.4${suffix}";
+    suffix = "pre20200721_ff314f1";
+
+    src = fetchFromGitHub {
+      owner = "NixOS";
+      repo = "nix";
+      rev = "ff314f186e3f91d87af6ad96c0ae3b472494b940";
+      hash = "sha256-QibpLo4/gf2xYGoeQcgjZzH/qy5TBRVH+QCHgqOwur0=";
+    };
+
+    inherit storeDir stateDir confDir boehmgc;
+  });
+
+  nixFlakes = nixUnstable;
+
+}