fix build

Merge branch 'debug' into production
flake: 整理 srv1
2024-10-22 20:58:45 +08:00 · 2024-09-14 22:42:26 +08:00 · 2024-09-14 22:30:31 +08:00 · 2024-09-14 22:30:15 +08:00 · 2024-09-14 22:19:46 +08:00 · 2024-09-14 22:16:38 +08:00
41 changed files with 535 additions and 661 deletions
--- a/devices/nas/default.nix
+++ b/devices/nas/default.nix
@ -41,7 +41,7 @@ inputs:
        initrd.sshd.enable = true;
        nixpkgs.march = "silvermont";
        nix.substituters = [ "https://nix-store.chn.moe?priority=100" ];
-        networking = { hostname = "nas"; networkd = {}; };
+        networking.networkd = {};
      };
      hardware = { cpus = [ "intel" ]; gpu.type = "intel"; };
      services =
--- a/devices/pc/default.nix
+++ b/devices/pc/default.nix
@ -53,7 +53,6 @@ inputs:
          modules.modprobeConfig =
            [ "options iwlwifi power_save=0" "options iwlmvm power_scheme=1" "options iwlwifi uapsd_disable=1" ];
        };
-        networking.hostname = "pc";
        sysctl.laptop-mode = 5;
        gui.enable = true;
      };
--- a/devices/pi3b/default.nix
+++ b/devices/pi3b/default.nix
@ -18,7 +18,7 @@ inputs:
          swap = [ "/nix/swap/swap" ];
          rollingRootfs = {};
        };
-        networking = { hostname = "pi3b"; networkd = {}; };
+        networking.networkd = {};
        nixpkgs.arch = "aarch64";
        kernel.variant = "nixos";
      };
--- a/devices/srv1-node0/default.nix
+++ b/devices/srv1-node0/default.nix
@ -1,50 +0,0 @@
-inputs:
-{
-  config =
-  {
-    nixos =
-    {
-      system =
-      {
-        fileSystems =
-        {
-          mount =
-          {
-            vfat."/dev/disk/by-uuid/7A60-4232" = "/boot";
-            btrfs."/dev/mapper/root1" = { "/nix" = "/nix"; "/nix/rootfs/current" = "/"; };
-          };
-          swap = [ "/dev/mapper/swap" ];
-          rollingRootfs = {};
-        };
-        nixpkgs.march = "cascadelake";
-        kernel.variant = "xanmod-lts";
-        networking.hostname = "srv1-node0";
-        gui.enable = true;
-      };
-      packages.vasp = null;
-      hardware.cpus = [ "intel" ];
-      services =
-      {
-        snapper.enable = true;
-        sshd = {};
-        xray.client.enable = true;
-        smartd.enable = true;
-        beesd.instances.root = { device = "/"; hashTableSizeMB = 4096; threads = 4; };
-        wireguard =
-        {
-          enable = true;
-          peers = [ "vps6" ];
-          publicKey = "l1gFSDCeBxyf/BipXNvoEvVvLqPgdil84nmr5q6+EEw=";
-          wireguardIp = "192.168.83.3";
-        };
-        slurm =
-        {
-          enable = true;
-          cpu = { cores = 16; threads = 2; mpiThreads = 2; openmpThreads = 4; };
-          memoryMB = 90112;
-        };
-      };
-      user.users = [ "chn" ];
-    };
-  };
-}
--- a/devices/srv1-node3/default.nix
+++ b/devices/srv1-node3/default.nix
@ -1,50 +0,0 @@
-inputs:
-{
-  config =
-  {
-    nixos =
-    {
-      system =
-      {
-        fileSystems =
-        {
-          mount =
-          {
-            vfat."/dev/disk/by-uuid/7A60-4232" = "/boot";
-            btrfs."/dev/mapper/root1" = { "/nix" = "/nix"; "/nix/rootfs/current" = "/"; };
-          };
-          swap = [ "/dev/mapper/swap" ];
-          rollingRootfs = {};
-        };
-        nixpkgs.march = "broadwell";
-        kernel.variant = "xanmod-lts";
-        networking.hostname = "srv1-node3";
-        gui.enable = true;
-      };
-      packages.vasp = null;
-      hardware.cpus = [ "intel" ];
-      services =
-      {
-        snapper.enable = true;
-        sshd = {};
-        xray.client.enable = true;
-        smartd.enable = true;
-        beesd.instances.root = { device = "/"; hashTableSizeMB = 4096; threads = 4; };
-        wireguard =
-        {
-          enable = true;
-          peers = [ "vps6" ];
-          publicKey = "l1gFSDCeBxyf/BipXNvoEvVvLqPgdil84nmr5q6+EEw=";
-          wireguardIp = "192.168.83.3";
-        };
-        slurm =
-        {
-          enable = true;
-          cpu = { cores = 16; threads = 2; mpiThreads = 2; openmpThreads = 4; };
-          memoryMB = 90112;
-        };
-      };
-      user.users = [ "chn" ];
-    };
-  };
-}
--- a/devices/srv1/default.nix
+++ b/devices/srv1/default.nix
@ -0,0 +1,29 @@
+inputs:
+{
+  config =
+  {
+    nixos =
+    {
+      system =
+      {
+        fileSystems = { swap = [ "/dev/mapper/swap" ]; rollingRootfs = {}; };
+        kernel.variant = "xanmod-lts";
+        gui.enable = true;
+      };
+      hardware.cpus = [ "intel" ];
+      services =
+      {
+        snapper.enable = true;
+        sshd = {};
+        smartd.enable = true;
+        slurm =
+        {
+          enable = true;
+          cpu = { cores = 16; threads = 2; mpiThreads = 2; openmpThreads = 4; };
+          memoryMB = 90112;
+        };
+      };
+      user.users = [ "chn" ];
+    };
+  };
+}
--- a/devices/srv1/node0/default.nix
+++ b/devices/srv1/node0/default.nix
@ -0,0 +1,31 @@
+inputs:
+{
+  config =
+  {
+    nixos =
+    {
+      system =
+      {
+        fileSystems.mount =
+        {
+          vfat."/dev/disk/by-uuid/7A60-4232" = "/boot";
+          btrfs."/dev/mapper/root1" = { "/nix" = "/nix"; "/nix/rootfs/current" = "/"; };
+        };
+        nixpkgs.march = "cascadelake";
+      };
+      packages.vasp = null;
+      services =
+      {
+        xray.client.enable = true;
+        beesd.instances.root = { device = "/"; hashTableSizeMB = 4096; threads = 4; };
+        wireguard =
+        {
+          enable = true;
+          peers = [ "vps6" ];
+          publicKey = "l1gFSDCeBxyf/BipXNvoEvVvLqPgdil84nmr5q6+EEw=";
+          wireguardIp = "192.168.83.3";
+        };
+      };
+    };
+  };
+}
--- a/devices/srv1/node0/secrets/default.yaml
+++ b/devices/srv1/node0/secrets/default.yaml
--- a/devices/srv1/node0/secrets/munge.key
+++ b/devices/srv1/node0/secrets/munge.key
--- a/devices/srv1/node3/default.nix
+++ b/devices/srv1/node3/default.nix
@ -0,0 +1,31 @@
+inputs:
+{
+  config =
+  {
+    nixos =
+    {
+      system =
+      {
+        fileSystems.mount =
+        {
+          vfat."/dev/disk/by-uuid/7A60-4232" = "/boot";
+          btrfs."/dev/mapper/root1" = { "/nix" = "/nix"; "/nix/rootfs/current" = "/"; };
+        };
+        nixpkgs.march = "broadwell";
+      };
+      packages.vasp = null;
+      services =
+      {
+        xray.client.enable = true;
+        beesd.instances.root = { device = "/"; hashTableSizeMB = 4096; threads = 4; };
+        wireguard =
+        {
+          enable = true;
+          peers = [ "vps6" ];
+          publicKey = "l1gFSDCeBxyf/BipXNvoEvVvLqPgdil84nmr5q6+EEw=";
+          wireguardIp = "192.168.83.3";
+        };
+      };
+    };
+  };
+}
--- a/devices/srv1/node3/secrets/default.yaml
+++ b/devices/srv1/node3/secrets/default.yaml
--- a/devices/srv1/node3/secrets/munge.key
+++ b/devices/srv1/node3/secrets/munge.key
--- a/devices/surface/default.nix
+++ b/devices/surface/default.nix
@ -26,7 +26,6 @@ inputs:
        nixpkgs.march = "skylake";
        nix = { substituters = [ "https://nix-store.chn.moe?priority=100" ]; githubToken.enable = true; };
        kernel = { variant = "xanmod-lts"; patches = [ "surface" "hibernate-progress" ]; };
-        networking.hostname = "surface";
        gui.enable = true;
      };
      hardware = { cpus = [ "intel" ]; gpu.type = "intel"; };
--- a/devices/vps4/default.nix
+++ b/devices/vps4/default.nix
@ -29,7 +29,7 @@ inputs:
        nixpkgs.march = "znver2";
        nix.substituters = [ "https://nix-store.chn.moe?priority=100" ];
        initrd.sshd.enable = true;
-        networking = { hostname = "vps4"; networkd = {}; };
+        networking.networkd = {};
        kernel.variant = "xanmod-latest";
        nix-ld = null;
        binfmt = null;
--- a/devices/vps6/default.nix
+++ b/devices/vps6/default.nix
@ -29,7 +29,7 @@ inputs:
        nixpkgs.march = "sandybridge";
        nix.substituters = [ "https://nix-store.chn.moe?priority=100" ];
        initrd.sshd.enable = true;
-        networking = { hostname = "vps6"; networkd = {}; };
+        networking.networkd = {};
        # do not use cachyos kernel, beesd + cachyos kernel + heavy io = system freeze, not sure why
      };
      services =
--- a/devices/vps7/default.nix
+++ b/devices/vps7/default.nix
@ -29,7 +29,7 @@ inputs:
        nixpkgs.march = "znver2";
        nix.substituters = [ "https://nix-store.chn.moe?priority=100" ];
        initrd.sshd.enable = true;
-        networking = { hostname = "vps7"; networkd = {}; };
+        networking.networkd = {};
        kernel.variant = "xanmod-lts";
      };
      services =
--- a/devices/xmupc1/default.nix
+++ b/devices/xmupc1/default.nix
@ -48,7 +48,6 @@ inputs:
          };
        };
        gui = { enable = true; preferred = false; autoStart = true; };
-        networking.hostname = "xmupc1";
        nix.remote.slave.enable = true;
      };
      hardware = { cpus = [ "amd" ]; gpu.type = "nvidia"; };
--- a/devices/xmupc2/default.nix
+++ b/devices/xmupc2/default.nix
@ -41,7 +41,6 @@ inputs:
          };
        };
        gui = { enable = true; preferred = false; autoStart = true; };
-        networking.hostname = "xmupc2";
        nix =
        {
          marches =
--- a/flake.nix
+++ b/flake.nix
@ -76,144 +76,14 @@
    # nixos-wallpaper = { url = "git+https://git.chn.moe/chn/nixos-wallpaper.git"; flake = false; };
  };

-  outputs = inputs:
-    let
-      localLib = import ./lib.nix inputs.nixpkgs.lib;
-      devices = builtins.filter (dir: (builtins.readDir ./devices/${dir})."default.nix" or null == "regular" )
-        (builtins.attrNames (builtins.readDir ./devices));
-    in
-    {
-      packages.x86_64-linux = rec
-      {
-        pkgs = (import inputs.nixpkgs
-        {
-          system = "x86_64-linux";
-          config.allowUnfree = true;
-          overlays = [ inputs.self.overlays.default ];
-        });
-        default = inputs.nixpkgs.legacyPackages.x86_64-linux.writeText "systems"
-          (builtins.concatStringsSep "\n" (builtins.map
-            (system: builtins.toString inputs.self.outputs.nixosConfigurations.${system}.config.system.build.toplevel)
-            devices));
-        hpcstat =
-          let
-            openssh = (pkgs.pkgsStatic.openssh.override { withLdns = false; etcDir = null; }).overrideAttrs
-              (prev: { doCheck = false; patches = prev.patches ++ [ ./packages/hpcstat/openssh.patch ];});
-            duc = pkgs.pkgsStatic.duc.override { enableCairo = false; cairo = null; pango = null; };
-          in pkgs.pkgsStatic.localPackages.hpcstat.override
-            { inherit openssh duc; standalone = true; version = inputs.self.rev or "dirty"; };
-        ufo =
-          let
-            range-v3 = pkgs.pkgsStatic.range-v3.overrideAttrs (prev:
-            {
-              cmakeFlags = prev.cmakeFlags or []
-                ++ [ "-DRANGE_V3_DOCS=OFF" "-DRANGE_V3_TESTS=OFF" "-DRANGE_V3_EXAMPLES=OFF" ];
-              doCheck = false;
-            });
-            tbb = pkgs.pkgsStatic.tbb_2021_11.overrideAttrs (prev: { cmakeFlags = prev.cmakeFlags or [] ++
-              [ "-DTBB_TEST=OFF" ]; });
-            biu = pkgs.pkgsStatic.localPackages.biu.override { inherit range-v3; };
-            matplotplusplus = pkgs.pkgsStatic.localPackages.matplotplusplus.override { libtiff = null; };
-          in pkgs.pkgsStatic.localPackages.ufo.override { inherit biu tbb matplotplusplus; };
-        chn-bsub = pkgs.pkgsStatic.localPackages.chn-bsub;
-        blog = pkgs.callPackage ./blog { inherit (inputs) hextra; };
-      }
-      // (builtins.listToAttrs (builtins.map
-        (system:
-        {
-          name = system;
-          value = inputs.self.outputs.nixosConfigurations.${system}.config.system.build.toplevel;
-        })
-        devices)
-      );
-      nixosConfigurations =
-      (
-        (builtins.listToAttrs (builtins.map
-          (system:
-          {
-            name = system;
-            value = inputs.nixpkgs.lib.nixosSystem
-            {
-              system = "x86_64-linux";
-              specialArgs = { topInputs = inputs; inherit localLib; };
-              modules = localLib.mkModules
-              [
-                (moduleInputs: { config.nixpkgs.overlays = [(prev: final:
-                  # replace pkgs with final to avoid infinite recursion
-                  { localPackages = import ./packages (moduleInputs // { pkgs = final; }); })]; })
-                ./modules
-                ./devices/${system}
-              ];
-            };
-          })
-          devices))
-        // {
-          pi3b = inputs.nixpkgs.lib.nixosSystem
-          {
-            system = "aarch64-linux";
-            specialArgs = { topInputs = inputs; inherit localLib; };
-            modules = localLib.mkModules
-            [
-              (moduleInputs: { config.nixpkgs.overlays = [(prev: final:
-                # replace pkgs with final to avoid infinite recursion
-                { localPackages = import ./packages (moduleInputs // { pkgs = final; }); })]; })
-              ./modules
-              ./devices/pi3b
-            ];
-          };
-        }
-      );
-      overlays.default = final: prev:
-        { localPackages = (import ./packages { inherit (inputs) lib; pkgs = final; topInputs = inputs; }); };
-      config = { archive = false; branch = "production"; };
-      devShells.x86_64-linux = let inherit (inputs.self.nixosConfigurations.pc) pkgs; in
-      {
-        biu = pkgs.mkShell.override { stdenv = pkgs.clang18Stdenv; }
-        {
-          inputsFrom = [ pkgs.localPackages.biu ];
-          packages = [ pkgs.clang-tools_18 ];
-          CMAKE_EXPORT_COMPILE_COMMANDS = "1";
-        };
-        hpcstat = pkgs.mkShell.override { stdenv = pkgs.clang18Stdenv; }
-        {
-          inputsFrom = [ (pkgs.localPackages.hpcstat.override { version = null; }) ];
-          CMAKE_EXPORT_COMPILE_COMMANDS = "1";
-        };
-        sbatch-tui = pkgs.mkShell.override { stdenv = pkgs.clang18Stdenv; }
-        {
-          inputsFrom = [ pkgs.localPackages.sbatch-tui ];
-          CMAKE_EXPORT_COMPILE_COMMANDS = "1";
-        };
-        ufo = pkgs.mkShell.override { stdenv = pkgs.clang18Stdenv; }
-        {
-          inputsFrom = [ pkgs.localPackages.ufo ];
-          packages = [ pkgs.clang-tools_18 ];
-          CMAKE_EXPORT_COMPILE_COMMANDS = "1";
-        };
-        chn-bsub = pkgs.mkShell
-        {
-          inputsFrom = [ pkgs.localPackages.chn-bsub ];
-          packages = [ pkgs.clang-tools_18 ];
-          CMAKE_EXPORT_COMPILE_COMMANDS = "1";
-        };
-        winjob =
-          let inherit (pkgs) clang-tools_18; in let inherit (inputs.self.packages.x86_64-w64-mingw32) pkgs winjob;
-          in pkgs.mkShell.override { stdenv = pkgs.gcc14Stdenv; }
-          {
-            inputsFrom = [ winjob ];
-            packages = [ clang-tools_18 ];
-            CMAKE_EXPORT_COMPILE_COMMANDS = "1";
-          };
-      };
-      src = let inherit (inputs.self.packages.x86_64-linux) pkgs; in
-      {
-        nixos-wallpaper = pkgs.fetchgit
-        {
-          url = "https://git.chn.moe/chn/nixos-wallpaper.git";
-          rev = "1ad78b20b21c9f4f7ba5f4c897f74276763317eb";
-          sha256 = "0faahbzsr44bjmwr6508wi5hg59dfb57fzh5x6jh7zwmv4pzhqlb";
-          fetchLFS = true;
-        };
-      };
-    };
+  outputs = inputs: let localLib = import ./flake/lib.nix inputs.nixpkgs.lib; in
+  {
+    packages.x86_64-linux = import ./flake/packages.nix { inherit inputs localLib; };
+    nixosConfigurations = import ./flake/nixos.nix { inherit inputs localLib; };
+    overlays.default = final: prev:
+      { localPackages = (import ./packages { inherit localLib; pkgs = final; topInputs = inputs; }); };
+    config = { archive = false; branch = "production"; };
+    devShells.x86_64-linux = import ./flake/dev.nix { inherit inputs; };
+    src = import ./flake/src.nix { inherit inputs; };
+  };
 }
--- a/flake/dev.nix
+++ b/flake/dev.nix
@ -0,0 +1,39 @@
+{ inputs }: let inherit (inputs.self.nixosConfigurations.pc) pkgs; in
+{
+  biu = pkgs.mkShell.override { stdenv = pkgs.clang18Stdenv; }
+  {
+    inputsFrom = [ pkgs.localPackages.biu ];
+    packages = [ pkgs.clang-tools_18 ];
+    CMAKE_EXPORT_COMPILE_COMMANDS = "1";
+  };
+  hpcstat = pkgs.mkShell.override { stdenv = pkgs.clang18Stdenv; }
+  {
+    inputsFrom = [ (pkgs.localPackages.hpcstat.override { version = null; }) ];
+    CMAKE_EXPORT_COMPILE_COMMANDS = "1";
+  };
+  sbatch-tui = pkgs.mkShell.override { stdenv = pkgs.clang18Stdenv; }
+  {
+    inputsFrom = [ pkgs.localPackages.sbatch-tui ];
+    CMAKE_EXPORT_COMPILE_COMMANDS = "1";
+  };
+  ufo = pkgs.mkShell.override { stdenv = pkgs.clang18Stdenv; }
+  {
+    inputsFrom = [ pkgs.localPackages.ufo ];
+    packages = [ pkgs.clang-tools_18 ];
+    CMAKE_EXPORT_COMPILE_COMMANDS = "1";
+  };
+  chn-bsub = pkgs.mkShell
+  {
+    inputsFrom = [ pkgs.localPackages.chn-bsub ];
+    packages = [ pkgs.clang-tools_18 ];
+    CMAKE_EXPORT_COMPILE_COMMANDS = "1";
+  };
+  winjob =
+    let inherit (pkgs) clang-tools_18; in let inherit (inputs.self.packages.x86_64-w64-mingw32) pkgs winjob;
+    in pkgs.mkShell.override { stdenv = pkgs.gcc14Stdenv; }
+    {
+      inputsFrom = [ winjob ];
+      packages = [ clang-tools_18 ];
+      CMAKE_EXPORT_COMPILE_COMMANDS = "1";
+    };
+}
--- a/flake/lib.nix
+++ b/flake/lib.nix
--- a/flake/nixos.nix
+++ b/flake/nixos.nix
@ -0,0 +1,51 @@
+{ inputs, localLib }:
+builtins.listToAttrs
+(
+  (builtins.map
+    (system:
+    {
+      name = system;
+      value = inputs.nixpkgs.lib.nixosSystem
+      {
+        system = let arch.pi3b = "aarch64-linux"; in arch.${system} or "x86_64-linux";
+        specialArgs = { topInputs = inputs; inherit localLib; };
+        modules = localLib.mkModules
+        [
+          {
+            config =
+            {
+              nixpkgs.overlays = [ inputs.self.overlays.default ];
+              nixos.system.networking.hostname = system;
+            };
+          }
+          ../modules
+          ../devices/${system}
+        ];
+      };
+    })
+    [ "nas" "pc" "pi3b" "surface" "vps4" "vps6" "vps7" "xmupc1" "xmupc2" ])
+  ++ (builtins.map
+    (node:
+    {
+      name = "srv1-${node}";
+      value = inputs.nixpkgs.lib.nixosSystem
+      {
+        system = "x86_64-linux";
+        specialArgs = { topInputs = inputs; inherit localLib; };
+        modules = localLib.mkModules
+        [
+          {
+            config =
+            {
+              nixpkgs.overlays = [ inputs.self.overlays.default ];
+              nixos.system.cluster = { clusterName = "srv1"; nodeName = node; };
+            };
+          }
+          ../modules
+          ../devices/srv1
+          ../devices/srv1/${node}
+        ];
+      };
+    })
+    [ "node0" "node3" ])
+)
--- a/flake/packages.nix
+++ b/flake/packages.nix
@ -0,0 +1,21 @@
+{ inputs, localLib }: rec
+{
+  pkgs = (import inputs.nixpkgs
+  {
+    system = "x86_64-linux";
+    config.allowUnfree = true;
+    overlays = [ inputs.self.overlays.default ];
+  });
+  hpcstat =
+    let
+      openssh = (pkgs.pkgsStatic.openssh.override { withLdns = false; etcDir = null; }).overrideAttrs
+        (prev: { doCheck = false; patches = prev.patches ++ [ ../packages/hpcstat/openssh.patch ];});
+      duc = pkgs.pkgsStatic.duc.override { enableCairo = false; cairo = null; pango = null; };
+    in pkgs.pkgsStatic.localPackages.hpcstat.override
+      { inherit openssh duc; standalone = true; version = inputs.self.rev or "dirty"; };
+  chn-bsub = pkgs.pkgsStatic.localPackages.chn-bsub;
+  blog = pkgs.callPackage ../blog { inherit (inputs) hextra; };
+}
+// (builtins.listToAttrs (builtins.map
+  (system: { inherit (system) name; value = system.value.config.system.build.toplevel; })
+  (localLib.attrsToList inputs.self.outputs.nixosConfigurations)))
--- a/flake/src.nix
+++ b/flake/src.nix
@ -0,0 +1,10 @@
+{ inputs }: let inherit (inputs.self.packages.x86_64-linux) pkgs; in
+{
+  nixos-wallpaper = pkgs.fetchgit
+  {
+    url = "https://git.chn.moe/chn/nixos-wallpaper.git";
+    rev = "1ad78b20b21c9f4f7ba5f4c897f74276763317eb";
+    sha256 = "0faahbzsr44bjmwr6508wi5hg59dfb57fzh5x6jh7zwmv4pzhqlb";
+    fetchLFS = true;
+  };
+}
--- a/modules/packages/desktop/default.nix
+++ b/modules/packages/desktop/default.nix
@ -16,7 +16,7 @@ inputs:
          # system management
          # TODO: module should add yubikey-touch-detector into path
          gparted wayland-utils clinfo glxinfo vulkan-tools dracut yubikey-touch-detector btrfs-assistant snapper-gui
-          kdePackages.qtstyleplugin-kvantum ventoy-full cpu-x inputs.pkgs."pkgs-23.11".etcher wl-mirror
+          kdePackages.qtstyleplugin-kvantum ventoy-full cpu-x wl-mirror # inputs.pkgs."pkgs-23.11".etcher
          (
            writeShellScriptBin "xclip"
            ''
--- a/modules/system/cluster.nix
+++ b/modules/system/cluster.nix
@ -0,0 +1,21 @@
+inputs:
+{
+  options.nixos.system.cluster = let inherit (inputs.lib) mkOption types; in mkOption
+  {
+    type = types.nullOr (types.submodule { options =
+    {
+      clusterName = mkOption { type = types.nonEmptyStr; };
+      nodeName = mkOption { type = types.nonEmptyStr; };
+      nodeType = mkOption { type = types.enum [ "master" "worker" ]; default = "worker"; };
+    };});
+    default = null;
+  };
+  config = let inherit (inputs.config.nixos.system) cluster; in inputs.lib.mkIf (cluster != null)
+  {
+    nixos.system.networking.hostname = "${cluster.clusterName}-${cluster.nodeName}";
+    # 作为从机时，home-manager 需要被禁用
+    systemd.services = inputs.lib.mkIf (cluster.nodeType == "worker") (builtins.listToAttrs (builtins.map
+      (user: { name = "home-manager-${user}"; value.enable = false; })
+      inputs.config.nixos.user.users));
+  };
+}
--- a/modules/system/sops.nix
+++ b/modules/system/sops.nix
@ -5,28 +5,26 @@ inputs:
    enable = mkOption { type = types.bool; default = true; };
    keyPathPrefix = mkOption { type = types.str; default = "/nix/persistent"; };
  };
-  config =
-    let
-      inherit (inputs.lib) mkIf;
-      inherit (inputs.config.nixos.system) sops;
-    in mkIf sops.enable
+  config = let inherit (inputs.config.nixos.system) sops; in inputs.lib.mkIf sops.enable
+  {
+    sops =
    {
-      sops =
-      {
-        defaultSopsFile =
-          let deviceDir = "${inputs.topInputs.self}/devices/${inputs.config.nixos.system.networking.hostname}";
-          in mkIf
-            (
-              builtins.pathExists "${deviceDir}/secrets.yaml"
-              || builtins.pathExists "${deviceDir}/secrets/default.yaml"
-            )
-            (
-              if builtins.pathExists "${deviceDir}/secrets.yaml" then "${deviceDir}/secrets.yaml"
-              else "${deviceDir}/secrets/default.yaml"
-            );
-        # sops start before impermanence, so we need to use the absolute path
-        age.sshKeyPaths = [ "${sops.keyPathPrefix}/etc/ssh/ssh_host_ed25519_key" ];
-        gnupg.sshKeyPaths = [ "${sops.keyPathPrefix}/etc/ssh/ssh_host_rsa_key" ];
-      };
+      defaultSopsFile =
+        let deviceDir =
+          if (inputs.config.nixos.system.cluster == null) then
+            "${inputs.topInputs.self}/devices/${inputs.config.nixos.system.networking.hostname}"
+          else
+            "${inputs.topInputs.self}/devices/${inputs.config.nixos.system.cluster.clusterName}"
+              + "/${inputs.config.nixos.system.cluster.nodeName}";
+        in inputs.lib.mkMerge
+        [
+          (inputs.lib.mkIf (builtins.pathExists "${deviceDir}/secrets.yaml") "${deviceDir}/secrets.yaml")
+          (inputs.lib.mkIf (builtins.pathExists "${deviceDir}/secrets/default.yaml")
+            "${deviceDir}/secrets/default.yaml")
+        ];
+      # sops start before impermanence, so we need to use the absolute path
+      age.sshKeyPaths = [ "${sops.keyPathPrefix}/etc/ssh/ssh_host_ed25519_key" ];
+      gnupg.sshKeyPaths = [ "${sops.keyPathPrefix}/etc/ssh/ssh_host_rsa_key" ];
    };
+  };
 }
--- a/modules/user/chn/default.nix
+++ b/modules/user/chn/default.nix
@ -14,6 +14,7 @@ inputs:
    };
    home-manager.users.chn =
    {
+      imports = [ "${inputs.topInputs.impermanence}/home-manager.nix" ];
      config =
      {
        programs =
@ -81,39 +82,65 @@ inputs:
                ))
            )
          ];
+          persistence =
+          {
+            "/nix/persistent/home/chn" =
+            {
+              directories =
+              [
+                # common things
+                "bin" "Desktop" "Documents" "Downloads" "Music" "Pictures" "repo" "share" "Public" "Videos"
+                ".config" ".local/share"
+                # xmuvpn
+                ".ecdata"
+                # firefox
+                ".mozilla/firefox/default"
+                # ssh
+                ".ssh"
+                # steam
+                ".steam" # ".local/share/Steam"
+                # vscode
+                ".vscode" # ".config/Code" ".config/grammarly-languageserver"
+                # zotero
+                ".zotero" "Zotero"
+              ];
+              allowOther = true;
+            };
+            "/nix/rootfs/current/home/chn".allowOther = true;
+          };
        };
        pam.yubico.authorizedYubiKeys.ids = [ "cccccbgrhnub" ];
      };
    };
-    environment.persistence =
-      let inherit (inputs.config.nixos.system) impermanence; in inputs.lib.mkIf impermanence.enable
-      {
-        # TODO: make copy or soft link of files
-        "${impermanence.persistence}".users.chn =
-        {
-          directories = builtins.map
-            (dir: { directory = dir.dir or dir; user = "chn"; group = "chn"; mode = dir.mode or "0755"; })
-            [
-              # common things
-              "bin" "Desktop" "Documents" "Downloads" "Music" "Pictures" "repo" "share" "Public" "Videos"
-              ".config" ".local/share"
-              # # gnome
-              # { dir = ".config/dconf"; mode = "0700"; } ".config/gtk-2.0" ".config/gtk-3.0" ".config/gtk-4.0"
-              # ".config/libaccounts-glib"
-              # # android
-              # { dir = ".android"; mode = "0750";}
-              # xmuvpn
-              ".ecdata"
-              # firefox
-              { dir = ".mozilla/firefox/default"; mode = "0700"; }
-              # ssh
-              { dir = ".ssh"; mode = "0700"; }
-              # steam
-              ".steam" # ".local/share/Steam"
-              # vscode
-              ".vscode" # ".config/Code" ".config/grammarly-languageserver"
-              # zotero
-              ".zotero" "Zotero"
+    # environment.persistence =
+    #   let inherit (inputs.config.nixos.system) impermanence; in inputs.lib.mkIf impermanence.enable
+    #   {
+    #     # TODO: make copy or soft link of files
+    #     "${impermanence.persistence}".users.chn =
+    #     {
+    #       directories = builtins.map
+    #         (dir: { directory = dir.dir or dir; user = "chn"; group = "chn"; mode = dir.mode or "0755"; })
+    #         [
+    #           # common things
+    #           "bin" "Desktop" "Documents" "Downloads" "Music" "Pictures" "repo" "share" "Public" "Videos"
+    #           ".config" ".local/share"
+    #           # # gnome
+    #           # { dir = ".config/dconf"; mode = "0700"; } ".config/gtk-2.0" ".config/gtk-3.0" ".config/gtk-4.0"
+    #           # ".config/libaccounts-glib"
+    #           # # android
+    #           # { dir = ".android"; mode = "0750";}
+    #           # xmuvpn
+    #           ".ecdata"
+    #           # firefox
+    #           { dir = ".mozilla/firefox/default"; mode = "0700"; }
+    #           # ssh
+    #           { dir = ".ssh"; mode = "0700"; }
+    #           # steam
+    #           ".steam" # ".local/share/Steam"
+    #           # vscode
+    #           ".vscode" # ".config/Code" ".config/grammarly-languageserver"
+    #           # zotero
+    #           ".zotero" "Zotero"
              # 百度网盘
              # ".config/BaiduPCS-Go"
              # # bitwarden
@ -196,7 +223,7 @@ inputs:
              # ".local/share/waydroid"
              # # zsh
              # ".local/share/zsh"
-            ];
+          #   ];
          # TODO: create file if not exist
          # files = builtins.map
          #   (file: { inherit file; parentDirectory = { user = "chn"; group = "chn"; mode = "0755"; }; })
@ -212,7 +239,5 @@ inputs:
          #     # age TODO: use sops to storage
          #     ".config/sops/age/keys.txt"
          #   ];
-        };
-      };
  };
 }
--- a/modules/user/chn/plasma/autostart.nix
+++ b/modules/user/chn/plasma/autostart.nix
@ -2,74 +2,72 @@ inputs:
 {
  config = inputs.lib.mkIf inputs.config.nixos.system.gui.enable
  {
-    home-manager.users.chn.config.home.file =
-      let
-        programs =
-        {
-          nheko = rec
+    home-manager.users.chn.config.home =
+    {
+      file =
+        let
+          programs =
          {
-            fileName = "nheko.desktop";
-            path = "${inputs.pkgs.nheko}/share/applications/${fileName}";
+            nheko = rec
+            {
+              fileName = "nheko.desktop";
+              path = "${inputs.pkgs.nheko}/share/applications/${fileName}";
+            };
+            kclockd = rec
+            {
+              fileName = "org.kde.kclockd-autostart.desktop";
+              path = "${inputs.pkgs.kdePackages.kdeGear.kclock}/etc/xdg/autostart/${fileName}";
+            };
+            yakuake = rec
+            {
+              fileName = "org.kde.yakuake.desktop";
+              path = "${inputs.pkgs.yakuake}/share/applications/${fileName}";
+            };
+            telegram = rec
+            {
+              fileName = "org.telegram.desktop.desktop";
+              path = inputs.pkgs.writeText fileName (builtins.replaceStrings
+                  [ "Exec=telegram-desktop -- %u" ] [ "Exec=telegram-desktop -autostart" ]
+                  (builtins.readFile "${inputs.pkgs.telegram-desktop}/share/applications/${fileName}"));
+            };
+            element = rec
+            {
+              fileName = "element-desktop.desktop";
+              path = inputs.pkgs.writeText fileName (builtins.replaceStrings
+                  [ "Exec=element-desktop %u" ] [ "Exec=element-desktop --hidden" ]
+                  (builtins.readFile "${inputs.pkgs.element-desktop.desktopItem}/share/applications/${fileName}"));
+            };
+            kmail = rec
+            {
+              fileName = "org.kde.kmail2.desktop";
+              path = "${inputs.pkgs.kmail}/share/applications/${fileName}";
+            };
+            discord = rec
+            {
+              fileName = "discord.desktop";
+              path = inputs.pkgs.writeText fileName (builtins.replaceStrings
+                  [ "Exec=Discord" ] [ "Exec=Discord --start-minimized" ]
+                  (builtins.readFile "${inputs.pkgs.discord.desktopItem}/share/applications/${fileName}"));
+            };
+            crow-translate = rec
+            {
+              fileName = "io.crow_translate.CrowTranslate.desktop";
+              path = "${inputs.pkgs.crow-translate}/share/applications/${fileName}";
+            };
          };
-          kclockd = rec
+          devices =
          {
-            fileName = "org.kde.kclockd-autostart.desktop";
-            path = "${inputs.pkgs.kdePackages.kdeGear.kclock}/etc/xdg/autostart/${fileName}";
+            pc = [ "nheko" "kclockd" "yakuake" "telegram" "element" "kmail" "discord" "crow-translate" ];
+            surface = [ "kclockd" "yakuake" "telegram" "element" "crow-translate" ];
          };
-          yakuake = rec
-          {
-            fileName = "org.kde.yakuake.desktop";
-            path = "${inputs.pkgs.yakuake}/share/applications/${fileName}";
-          };
-          telegram = rec
-          {
-            fileName = "org.telegram.desktop.desktop";
-            path = inputs.pkgs.writeText fileName (builtins.replaceStrings
-                [ "Exec=telegram-desktop -- %u" ] [ "Exec=telegram-desktop -autostart" ]
-                (builtins.readFile "${inputs.pkgs.telegram-desktop}/share/applications/${fileName}"));
-          };
-          element = rec
-          {
-            fileName = "element-desktop.desktop";
-            path = inputs.pkgs.writeText fileName (builtins.replaceStrings
-                [ "Exec=element-desktop %u" ] [ "Exec=element-desktop --hidden" ]
-                (builtins.readFile "${inputs.pkgs.element-desktop.desktopItem}/share/applications/${fileName}"));
-          };
-          kmail = rec
-          {
-            fileName = "org.kde.kmail2.desktop";
-            path = "${inputs.pkgs.kmail}/share/applications/${fileName}";
-          };
-          discord = rec
-          {
-            fileName = "discord.desktop";
-            path = inputs.pkgs.writeText fileName (builtins.replaceStrings
-                [ "Exec=Discord" ] [ "Exec=Discord --start-minimized" ]
-                (builtins.readFile "${inputs.pkgs.discord.desktopItem}/share/applications/${fileName}"));
-          };
-          crow-translate = rec
-          {
-            fileName = "io.crow_translate.CrowTranslate.desktop";
-            path = "${inputs.pkgs.crow-translate}/share/applications/${fileName}";
-          };
-        };
-        devices =
-        {
-          pc = [ "nheko" "kclockd" "yakuake" "telegram" "element" "kmail" "discord" "crow-translate" ];
-          surface = [ "kclockd" "yakuake" "telegram" "element" "crow-translate" ];
-        };
-      in builtins.listToAttrs (builtins.map
+        in builtins.listToAttrs (builtins.map
        (file:
        {
          name = ".config/autostart/${programs.${file}.fileName}";
          value.source = programs.${file}.path;
        })
        (devices.${inputs.config.nixos.system.networking.hostname} or []));
-    environment.persistence =
-      let impermanence = inputs.config.nixos.system.impermanence;
-      in inputs.lib.mkIf impermanence.enable
-      {
-        "${impermanence.root}".users.chn.directories = [ ".config/autostart" ];
-      };
+      persistence."/nix/rootfs/current/home/chn".directories = [ ".config/autostart" ];
+    };
  };
 }
--- a/modules/user/chn/plasma/konsole.nix
+++ b/modules/user/chn/plasma/konsole.nix
@ -63,12 +63,13 @@ inputs:
          "Terminal Features".BlinkingCursorEnabled.value = true;
        };
      };
-      home.file.".local/share/konsole/Breeze.colorscheme".text = builtins.replaceStrings
-        [ "Opacity=1" ] [ "Opacity=0.9\nBlur=true" ]
-        (builtins.readFile "${inputs.pkgs.konsole}/share/konsole/Breeze.colorscheme");
+      home =
+      {
+        file.".local/share/konsole/Breeze.colorscheme".text = builtins.replaceStrings
+          [ "Opacity=1" ] [ "Opacity=0.9\nBlur=true" ]
+          (builtins.readFile "${inputs.pkgs.konsole}/share/konsole/Breeze.colorscheme");
+        persistence."/nix/rootfs/current/home/chn".directories = [ ".local/share/konsole" ".local/share/yakuake" ];
+      };
    };
-    environment.persistence =
-      let impermanence = inputs.config.nixos.system.impermanence; in inputs.lib.mkIf impermanence.enable
-        { "${impermanence.root}".users.chn.directories = [ ".local/share/konsole" ".local/share/yakuake" ]; };
  };
 }
--- a/modules/user/default.nix
+++ b/modules/user/default.nix
@ -84,9 +84,10 @@ inputs:
      home-manager.users = builtins.listToAttrs (builtins.map
        (name: { inherit name; value.imports = user.sharedModules; })
        user.users);
-      environment.persistence."${inputs.config.nixos.system.impermanence.persistence}".directories = builtins.map
-        (user: { directory = "/home/${user}"; inherit user; group = user; mode = "0700"; })
-        (builtins.filter (user: user != "chn") user.users);
+      environment.persistence."${inputs.config.nixos.system.impermanence.persistence}".directories =
+        inputs.lib.mkIf (inputs.config.nixos.system.cluster.nodeType or null != "worker") (builtins.map
+          (user: { directory = "/home/${user}"; inherit user; group = user; mode = "0700"; })
+          (builtins.filter (user: user != "chn") user.users));
    }
    # set hashedPassword if it exist in secrets
    (
--- a/packages/biu/include/biu/format.tpp
+++ b/packages/biu/include/biu/format.tpp
@ -2,7 +2,6 @@
 # include <fmt/core.h>
 # include <fmt/ranges.h>
 # include <fmt/std.h>
-# include <fmt/ostream.h>
 # include <fmt/chrono.h>
 # include <fmt/xchar.h>
 # include <nameof.hpp>
--- a/packages/biu/include/biu/logger.tpp
+++ b/packages/biu/include/biu/logger.tpp
@ -7,6 +7,16 @@

 namespace biu
 {
+	// This should be defined in header
+	inline Atomic<Logger::LoggerConfigType_> Logger::LoggerConfig_ = Logger::LoggerConfigType_
+	{
+		std::experimental::make_observer(&std::clog), nullptr,
+# ifdef NDEBUG
+		Logger::Level::Info
+# else
+		Logger::Level::Debug
+# endif
+	};
 	template <typename T> Logger::ObjectMonitor<T>::ObjectMonitor()
 		: CreateTime_{std::chrono::steady_clock::now()}
 	{
--- a/packages/biu/src/logger.cpp
+++ b/packages/biu/src/logger.cpp
@ -3,15 +3,6 @@

 namespace biu
 {
-	Atomic<Logger::LoggerConfigType_> Logger::LoggerConfig_ = Logger::LoggerConfigType_
-	{
-		std::experimental::make_observer(&std::clog), nullptr,
-# ifdef NDEBUG
-		Logger::Level::Info
-# else
-		Logger::Level::Debug
-# endif
-	};
 	void Logger::init(std::experimental::observer_ptr<std::ostream> stream, Level level)
 		{ LoggerConfig_ = LoggerConfigType_{stream, nullptr, level}; }
 	void Logger::init(std::shared_ptr<std::ostream> stream, Level level)
--- a/packages/ufo/CMakeLists.txt
+++ b/packages/ufo/CMakeLists.txt
@ -28,6 +28,4 @@ message("List of compile features: ${CMAKE_CXX_COMPILE_FEATURES}")

 include(CTest)
 add_test(NAME fold COMMAND ufo fold ${PROJECT_SOURCE_DIR}/test/fold/config.yaml)
-add_test(NAME fold-compare COMMAND ${CMAKE_COMMAND} -E compare_files fold-output.yaml
-  ${PROJECT_SOURCE_DIR}/test/fold/output.yaml)
-set_tests_properties(fold-compare PROPERTIES DEPENDS fold)
+
--- a/packages/ufo/include/ufo.hpp
+++ b/packages/ufo/include/ufo.hpp
@ -9,6 +9,7 @@ namespace ufo
  //  也就是说, 正格子与倒格子的转置相乘, 得到单位矩阵.

  using namespace biu::literals;
+  using namespace biu::stream_operators;

  void fold(std::string config_file);
  void unfold(std::string config_file);
--- a/packages/ufo/src/fold.cpp
+++ b/packages/ufo/src/fold.cpp
@ -4,7 +4,8 @@ void ufo::fold(std::string config_file)
 {
  struct Input
  {
-    Eigen::Matrix<int, 3, 3> SuperCellTransformation;
+    Eigen::Matrix3d SuperCellDeformation;
+    Eigen::Vector3i SuperCellMultiplier;
    std::vector<Eigen::Vector3d> Qpoints;
    std::optional<std::string> OutputFile;
  };
@ -15,7 +16,7 @@ void ufo::fold(std::string config_file)
  auto fold = []
  (
    Eigen::Vector3d qpoint_in_reciprocal_primitive_cell_by_reciprocal_primitive_cell,
-    Eigen::Matrix<int, 3, 3> super_cell_transformation
+    Eigen::Matrix3d super_cell_transformation
  ) -> Eigen::Vector3d
  {
    /*
@ -35,8 +36,7 @@ void ufo::fold(std::string config_file)
    */
    auto qpoint_by_reciprocal_super_cell =
    (
-      super_cell_transformation.cast<double>()
-        * qpoint_in_reciprocal_primitive_cell_by_reciprocal_primitive_cell
+      super_cell_transformation * qpoint_in_reciprocal_primitive_cell_by_reciprocal_primitive_cell
    ).eval();
    /*
      到目前为止，我们还没有移动过 q 点的坐标。现在，我们将它移动整数个 ReciprocalSuperCell，直到它落在超胞的倒格子中。
@ -49,7 +49,7 @@ void ufo::fold(std::string config_file)
  output.Qpoints = input.Qpoints
    | ranges::views::transform([&](auto& qpoint)
    {
-      return fold(qpoint, input.SuperCellTransformation);
+      return fold(qpoint, input.SuperCellDeformation * input.SuperCellMultiplier.cast<double>().asDiagonal());
    })
    | ranges::to_vector;
  
--- a/packages/ufo/src/plot.cpp
+++ b/packages/ufo/src/plot.cpp
@ -11,9 +11,14 @@ void ufo::plot_band(std::string config_file)
    // 内层表示一个路径上的 q 点，外层表示不同的路径
    // 单位为倒格矢
    std::vector<std::vector<Eigen::Vector3d>> Qpoints;
-    struct { std::size_t X, Y; } Resolution;
+    // 插值时使用的分辨率（不影响画出来图片的分辨率和横纵比）
+    std::array<std::size_t, 2> InterpolationResolution;
+    // 画图区域的y轴和x轴的比例。如果不指定，则由matplot++自动调整（通常调整为正方形，即 1）
+    std::optional<double> AspectRatio;
+    // 整张图片的分辨率
+    std::optional<std::array<std::size_t, 2>> PictureResolution;
    // 画图的频率范围
-    struct { double Min, Max; } FrequencyRange;
+    std::array<double, 2> FrequencyRange;
    // 搜索 q 点时的阈值，单位为埃^-1
    std::optional<double> ThresholdWhenSearchingQpoints;
    // 是否要在 y 轴上作一些标记
@ -81,8 +86,8 @@ void ufo::plot_band(std::string config_file)
    // 所有 q 点的数据（需要用到它的频率和权重）
    const std::vector<UnfoldOutput::QpointDataType>& qpoints,
    // 用于插值的分辨率和范围
-    const std::pair<unsigned, unsigned>& resolution,
-    const std::pair<double, double>& frequency_range,
+    const std::array<std::size_t, 2>& resolution,
+    const std::array<double, 2>& frequency_range,
    // 路径的总长度
    double total_distance
  )
@ -96,7 +101,7 @@ void ufo::plot_band(std::string config_file)
      bool continuous,
      // 第一个点占的比例
      double ratio,
-      unsigned resolution, std::pair<double, double> frequency_range
+      std::size_t resolution, std::array<double, 2> frequency_range
    ) -> std::vector<double>
    {
      // 混合得到的频率和权重
@ -105,7 +110,7 @@ void ufo::plot_band(std::string config_file)
      if (continuous)
      {
        assert(qpoints[a].ModeData.size() == qpoints[b].ModeData.size());
-        for (unsigned i = 0; i < qpoints[a].ModeData.size(); i++)
+        for (std::size_t i = 0; i < qpoints[a].ModeData.size(); i++)
        {
          frequency.push_back
            (qpoints[a].ModeData[i].Frequency * ratio + qpoints[b].ModeData[i].Frequency * (1 - ratio));
@ -115,44 +120,44 @@ void ufo::plot_band(std::string config_file)
      // 如果是不连续路径，将每个模式的权重乘以比例，最后相加
      else
      {
-        for (unsigned i = 0; i < qpoints[a].ModeData.size(); i++)
+        for (std::size_t i = 0; i < qpoints[a].ModeData.size(); i++)
        {
          frequency.push_back(qpoints[a].ModeData[i].Frequency);
          weight.push_back(qpoints[a].ModeData[i].Weight * ratio);
        }
-        for (unsigned i = 0; i < qpoints[b].ModeData.size(); i++)
+        for (std::size_t i = 0; i < qpoints[b].ModeData.size(); i++)
        {
          frequency.push_back(qpoints[b].ModeData[i].Frequency);
          weight.push_back(qpoints[b].ModeData[i].Weight * (1 - ratio));
        }
      }
      std::vector<double> result(resolution);
-      for (unsigned i = 0; i < frequency.size(); i++)
+      for (std::size_t i = 0; i < frequency.size(); i++)
      {
-        int index = (frequency[i] - frequency_range.first) / (frequency_range.second - frequency_range.first)
+        std::ptrdiff_t index = (frequency[i] - frequency_range[0]) / (frequency_range[1] - frequency_range[0])
          * resolution;
-        if (index >= 0 && index < static_cast<int>(resolution)) result[index] += weight[i];
+        if (index >= 0 && index < static_cast<std::ptrdiff_t>(resolution)) result[index] += weight[i];
      }
      return result;
    };

    std::vector<std::vector<double>> values;
-    for (unsigned i = 0; i < resolution.first; i++)
+    for (std::size_t i = 0; i < resolution[0]; i++)
    {
-      auto current_distance = total_distance * i / resolution.first;
+      auto current_distance = total_distance * i / resolution[0];
      auto it = path.lower_bound(current_distance);
      if (it == path.begin()) values.push_back(blend
-          (it->second, it->second, true, 1, resolution.second, frequency_range));
+          (it->second, it->second, true, 1, resolution[1], frequency_range));
      else if (it == path.end()) values.push_back(blend
      (
        std::prev(it)->second, std::prev(it)->second, true, 1,
-        resolution.second, frequency_range
+        resolution[1], frequency_range
      ));
      else values.push_back(blend
      (
        std::prev(it)->second, it->second, !path_begin.contains(it->second),
        (it->first - current_distance) / (it->first - std::prev(it)->first),
-        resolution.second, frequency_range
+        resolution[1], frequency_range
      ));
    }
    return values;
@ -164,7 +169,9 @@ void ufo::plot_band(std::string config_file)
    const std::vector<std::vector<double>>& values,
    const std::string& filename,
    const std::vector<double>& x_ticks, const std::vector<double>& y_ticks,
-    const std::vector<std::string>& y_ticklabels
+    const std::vector<std::string>& y_ticklabels,
+    const std::optional<double>& aspect_ratio,
+    const std::optional<std::array<std::size_t, 2>>& resolution
  )
  {
    std::vector<std::vector<double>>
@ -172,8 +179,8 @@ void ufo::plot_band(std::string config_file)
      g(values[0].size(), std::vector<double>(values.size(), 0)),
      b(values[0].size(), std::vector<double>(values.size(), 0)),
      a(values[0].size(), std::vector<double>(values.size(), 0));
-    for (unsigned i = 0; i < values[0].size(); i++)
-      for (unsigned j = 0; j < values.size(); j++)
+    for (std::size_t i = 0; i < values[0].size(); i++)
+      for (std::size_t j = 0; j < values.size(); j++)
      {
        auto v = values[j][i];
        if (v < 0.05) v = 0;
@ -196,6 +203,16 @@ void ufo::plot_band(std::string config_file)
    ax->y_axis().tick_values(y_ticks);
    ax->y_axis().tick_length(1);
    ax->y_axis().ticklabels(y_ticklabels);
+    if (aspect_ratio)
+    {
+      ax->axes_aspect_ratio_auto(false);
+      ax->axes_aspect_ratio(*aspect_ratio);
+    }
+    if (resolution)
+    {
+      f->width((*resolution)[0]);
+      f->height((*resolution)[1]);
+    }
    f->save(filename, "png");
  };

@ -241,30 +258,34 @@ void ufo::plot_band(std::string config_file)
  // 计算画图的数据
  auto values = calculate_values
  (
-    path, path_begin, unfolded_data.QpointData, {input.Resolution.X, input.Resolution.Y},
-    {input.FrequencyRange.Min, input.FrequencyRange.Max}, total_distance
+    path, path_begin, unfolded_data.QpointData, input.InterpolationResolution,
+    input.FrequencyRange, total_distance
  );
  auto x_ticks = x_ticks_index | ranges::views::transform([&](auto i)
-    { return path.nth(i)->first / total_distance * input.Resolution.X; }) | ranges::to<std::vector>;
+    { return path.nth(i)->first / total_distance * input.InterpolationResolution[0]; }) | ranges::to<std::vector>;
  auto y_ticks = input.YTicks.value_or(std::vector<std::pair<double, std::string>>{})
    | biu::toLvalue | ranges::views::keys
    | ranges::views::transform([&](auto i)
    {
-      return (i - input.FrequencyRange.Min) / (input.FrequencyRange.Max - input.FrequencyRange.Min)
-        * input.Resolution.Y;
+      return (i - input.FrequencyRange[0]) / (input.FrequencyRange[1] - input.FrequencyRange[0])
+        * input.InterpolationResolution[1];
    })
    | ranges::to_vector;
  auto y_ticklabels = input.YTicks.value_or(std::vector<std::pair<double, std::string>>{})
    | biu::toLvalue | ranges::views::values | ranges::to_vector;
-  if (input.OutputPictureFile) plot(values, input.OutputPictureFile.value(), x_ticks, y_ticks, y_ticklabels);
+  if (input.OutputPictureFile) plot
+  (
+    values, input.OutputPictureFile.value(),
+    x_ticks, y_ticks, y_ticklabels, input.AspectRatio, input.PictureResolution
+  );
  if (input.OutputDataFile)
    biu::Hdf5file(input.OutputDataFile.value(), true)
      .write("Values", values)
      .write("XTicks", x_ticks)
      .write("YTicks", y_ticks)
      .write("YTickLabels", y_ticklabels)
-      .write("Resolution", std::vector{input.Resolution.X, input.Resolution.Y})
-      .write("Range", std::vector{input.FrequencyRange.Min, input.FrequencyRange.Max});
+      .write("InterpolationResolution", input.InterpolationResolution)
+      .write("FrequencyRange", input.FrequencyRange);
 }

 void ufo::plot_point(std::string config_file)
@ -274,10 +295,12 @@ void ufo::plot_point(std::string config_file)
    std::string UnfoldedDataFile;
    // 要画图的 q 点
    Eigen::Vector3d Qpoint;
-    // x 方向为频率，y 方向没有用
-    struct { std::size_t X, Y; } Resolution;
+    // 插值的分辨率
+    std::size_t InterpolationResolution;
+    std::optional<double> AspectRatio;
+    std::optional<std::array<std::size_t, 2>> PictureResolution;
    // 画图的频率范围
-    struct { double Min, Max; } FrequencyRange;
+    std::array<double, 2> FrequencyRange;
    // 搜索 q 点时的阈值，单位为埃^-1
    std::optional<double> ThresholdWhenSearchingQpoints;
    // 是否要在 z 轴上作一些标记
@ -315,17 +338,17 @@ void ufo::plot_point(std::string config_file)
    // q 点的数据（需要用到它的频率和权重）
    const UnfoldOutput::QpointDataType& qpoint,
    // 用于插值的分辨率和范围
-    unsigned resolution,
-    const std::pair<double, double>& frequency_range
+    std::size_t resolution,
+    const std::array<double, 2>& frequency_range
  )
  {
    biu::Logger::Guard log;
    std::vector<double> result(resolution);
    for (auto& mode : qpoint.ModeData)
    {
-      int index = (mode.Frequency - frequency_range.first) / (frequency_range.second - frequency_range.first)
+      std::ptrdiff_t index = (mode.Frequency - frequency_range[0]) / (frequency_range[1] - frequency_range[0])
        * resolution;
-      if (index >= 0 && index < static_cast<int>(resolution)) result[index] += mode.Weight;
+      if (index >= 0 && index < static_cast<std::ptrdiff_t>(resolution)) result[index] += mode.Weight;
    }
    return log.rtn(result);
  };
@ -334,7 +357,8 @@ void ufo::plot_point(std::string config_file)
  auto plot = []
  (
    const std::vector<double>& values, const std::string& filename,
-    const std::vector<double>& x_ticks, const std::vector<std::string>& x_ticklabels, unsigned y_resolution
+    const std::vector<double>& x_ticks, const std::vector<std::string>& x_ticklabels, std::size_t y_resolution,
+    const std::optional<double>& aspect_ratio, const std::optional<std::array<std::size_t, 2>>& resolution
  )
  {
    biu::Logger::Guard log;
@ -343,7 +367,7 @@ void ufo::plot_point(std::string config_file)
      g(y_resolution, std::vector<double>(values.size(), 0)),
      b(y_resolution, std::vector<double>(values.size(), 0)),
      a(y_resolution, std::vector<double>(values.size(), 0));
-    for (unsigned i = 0; i < y_resolution; i++) for (unsigned j = 0; j < values.size(); j++)
+    for (std::size_t i = 0; i < y_resolution; i++) for (std::size_t j = 0; j < values.size(); j++)
    {
      auto v = values[j];
      if (v < 0.05) v = 0;
@ -364,6 +388,16 @@ void ufo::plot_point(std::string config_file)
    ax->x_axis().tick_length(1);
    ax->x_axis().ticklabels(x_ticklabels);
    ax->y_axis().tick_values({});
+    if (aspect_ratio)
+    {
+      ax->axes_aspect_ratio_auto(false);
+      ax->axes_aspect_ratio(*aspect_ratio);
+    }
+    if (resolution)
+    {
+      f->width((*resolution)[0]);
+      f->height((*resolution)[1]);
+    }
    f->save(filename, "png");
  };

@ -383,25 +417,28 @@ void ufo::plot_point(std::string config_file)
  auto values = calculate_values
  (
    unfolded_data.QpointData[qpoint_index],
-    input.Resolution.X, {input.FrequencyRange.Min, input.FrequencyRange.Max}
+    input.InterpolationResolution, input.FrequencyRange
  );
  auto x_ticks = input.XTicks.value_or(std::vector<std::pair<double, std::string>>{})
    | biu::toLvalue | ranges::views::keys
    | ranges::views::transform([&](auto i)
    {
-      return (i - input.FrequencyRange.Min) / (input.FrequencyRange.Max - input.FrequencyRange.Min)
-        * input.Resolution.X;
+      return (i - input.FrequencyRange[0]) / (input.FrequencyRange[1] - input.FrequencyRange[0])
+        * input.InterpolationResolution;
    })
    | ranges::to_vector;
  auto x_ticklabels = input.XTicks.value_or(std::vector<std::pair<double, std::string>>{})
    | biu::toLvalue | ranges::views::values | ranges::to_vector;
-  if (input.OutputPictureFile)
-    plot(values, input.OutputPictureFile.value(), x_ticks, x_ticklabels, input.Resolution.Y);
+  if (input.OutputPictureFile) plot
+  (
+    values, input.OutputPictureFile.value(),
+    x_ticks, x_ticklabels, 10, input.AspectRatio, input.PictureResolution
+  );
  if (input.OutputDataFile)
    biu::Hdf5file(input.OutputDataFile.value(), true)
      .write("Values", values)
      .write("XTicks", x_ticks)
      .write("XTickLabels", x_ticklabels)
-      .write("Resolution", std::vector{input.Resolution.X, input.Resolution.Y})
-      .write("Range", std::vector{input.FrequencyRange.Min, input.FrequencyRange.Max});
+      .write("InterpolationResolution", input.InterpolationResolution)
+      .write("FrequencyRange", input.FrequencyRange);
 }
--- a/packages/ufo/src/unfold.cpp
+++ b/packages/ufo/src/unfold.cpp
@ -29,10 +29,11 @@ void ufo::unfold(std::string config_file)
    // PositionToSuperCell(line vector) * SuperCell = PositionToPrimativeCell(line vector) * PrimativeCell
    // ReciprocalPositionToSuperCell(line vector) * ReciprocalSuperCell
    //  = ReciprocalPositionToPrimativeCell(line vector) * ReciprocalPrimativeCell
-    Eigen::Matrix3i SuperCellTransformation;
+    Eigen::Matrix3d SuperCellDeformation;
+    Eigen::Vector3i SuperCellMultiplier;

    // 在单胞内取几个平面波的基矢
-    Eigen::Vector<unsigned, 3> PrimativeCellBasisNumber;
+    Eigen::Vector<std::size_t, 3> PrimativeCellBasisNumber;

    // 超胞中原子的坐标，每行表示一个原子的坐标，单位为超胞的格矢
    Eigen::MatrixX3d AtomPositionBySuperCell;
@ -89,17 +90,18 @@ void ufo::unfold(std::string config_file)
    // 整理得到结果
    auto number_of_qpoints = frequency.size(), num_of_modes = frequency[0].size();
    std::vector<UnfoldOutput::MetaQpointDataType> qpoint_data(number_of_qpoints);
-    for (unsigned i = 0; i < number_of_qpoints; i++)
+    for (std::size_t i = 0; i < number_of_qpoints; i++)
    {
      qpoint_data[i].Qpoint = qpoint[i] | biu::toEigen<>;
      qpoint_data[i].ModeData.resize(num_of_modes);
-      for (unsigned j = 0; j < num_of_modes; j++)
+      for (std::size_t j = 0; j < num_of_modes; j++)
      {
        qpoint_data[i].ModeData[j].Frequency = frequency[i][j];
-        auto n_modes = eigenvector_vector[i].size() / 3;
-        Eigen::MatrixX3cd eigenvectors(n_modes, 3);
-        for (unsigned k = 0; k < n_modes; k++) for (unsigned l = 0; l < 3; l++) eigenvectors(k, l)
-          = eigenvector_vector[i][k * 3 + l][j].r + eigenvector_vector[i][k * 3 + l][j].i * 1i;
+        auto number_of_atoms = eigenvector_vector[i].size() / 3;
+        Eigen::MatrixX3cd eigenvectors(number_of_atoms, 3);
+        for (std::size_t k = 0; k < number_of_atoms; k++) for (std::size_t l = 0; l < 3; l++)
+          eigenvectors(k, l)
+            = eigenvector_vector[i][k * 3 + l][j].r + eigenvector_vector[i][k * 3 + l][j].i * 1i;
        // 原则上讲，需要对读入的原子运动状态作相位转换, 使得它们与我们的约定一致(对超胞周期性重复)，但这个转换 phonopy 已经做了
        // 这里还要需要做归一化处理 (指将数据简单地作为向量处理的归一化)
        qpoint_data[i].ModeData[j].AtomMovement = eigenvectors / eigenvectors.norm();
@ -108,135 +110,6 @@ void ufo::unfold(std::string config_file)
    return qpoint_data;
  };

-  // 将 SuperCellTransformation 矩阵分解为 SuperCellDeformation 和 SuperCellMultiplier
-  auto decompose_transformation = [](Eigen::Matrix3i transformation)
-    -> std::pair<Eigen::Matrix3d, Eigen::Vector3i>
-  {
-    // 三种整数基础矩阵
-    struct Multiply { unsigned at; int multiply; };
-    struct Add { unsigned from, to; int multiply; };
-    struct Exchange { unsigned from, to; };
-
-    // 将 SuperCellTransformation 分解为一系列基础矩阵的乘积，并将这些基础矩阵从左到右输出
-    auto decompose = [](Eigen::Matrix3i matrix)
-      -> concurrencpp::generator<std::variant<Add, Exchange, Multiply>>
-    {
-      // 首先将第一列转变为只有一个元素不为零
-      while (true)
-      {
-        // 统计第一列零的个数，以及非零值中，绝对值最大和最小的行
-        std::multimap<unsigned, unsigned> values;
-        for (unsigned i = 0; i < 3; i++) if (matrix(i, 0) != 0)
-          values.insert({std::abs(matrix(i, 0)), i});
-        // 如果都是零，报错
-        if (values.size() == 0) [[unlikely]] throw std::runtime_error("Transformation matrix is singular.");
-        // 如果只有一个非零值，那么将它移到第一行
-        if (values.size() == 1)
-        {
-          if (auto i = values.begin()->second; i != 0)
-          {
-            auto transform = Eigen::Matrix3i::Identity().eval();
-            transform(0, 0) = 0;
-            transform(0, i) = 1;
-            transform(i, i) = 0;
-            transform(i, 0) = 1;
-            matrix = transform * matrix;
-            co_yield Exchange{0, i};
-          }
-          break;
-        }
-        // 否则，将最小值乘以整数倍，加到最大值上
-        else
-        {
-          auto i_max = values.rbegin()->second;
-          auto i_min = values.begin()->second;
-          auto multiply = -matrix(i_max, 0) / matrix(i_min, 0);
-          auto transform = Eigen::Matrix3i::Identity().eval();
-          transform(i_max, i_min) = multiply;
-          matrix = transform * matrix;
-          // 分解出来的矩阵需要是操作的逆
-          co_yield Add{i_min, i_max, -multiply};
-        }
-      }
-      // 然后将第二列后两行转变为只有一个元素不为零
-      while (true)
-      {
-        // 如果都是零，报错
-        if (matrix(1, 1) == 0 && matrix(2, 1) == 0) [[unlikely]]
-          throw std::runtime_error("Transformation matrix is singular.");
-        // 如果只有一个不是零，将它移到第二行
-        else if (matrix(2, 1) == 0) break;
-        else if (matrix(1, 1) == 0)
-        {
-          Eigen::Matrix3i transform{{1, 0, 0}, {0, 0, 1}, {0, 1, 0}};
-          matrix = transform * matrix;
-          co_yield Exchange{1, 2};
-          break;
-        }
-        // 否则，将最小值乘以整数倍，加到最大值上
-        else
-        {
-          unsigned i_max, i_min;
-          if (std::abs(matrix(1, 1)) > std::abs(matrix(2, 1))) { i_max = 1; i_min = 2; }
-          else { i_max = 2; i_min = 1; }
-          auto multiply = -matrix(i_max, 1) / matrix(i_min, 1);
-          auto transform = Eigen::Matrix3i::Identity().eval();
-          transform(i_max, i_min) = multiply;
-          matrix = transform * matrix;
-          co_yield Add{i_min, i_max, -multiply};
-        }
-      }
-      // 然后将第三行第三列元素化为 1
-      if (matrix(2, 2) == 0) [[unlikely]] throw std::runtime_error("Transformation matrix is singular.");
-      else if (matrix(2, 2) != 1)
-      {
-        co_yield Multiply{2, matrix(2, 2)};
-        matrix(2, 2) = 1;
-      }
-      // 将第三列的其它元素化为 0
-      if (matrix(0, 2) != 0)
-        { co_yield Add{2, 0, matrix(0, 2)}; matrix(0, 2) = 0; }
-      if (matrix(1, 2) != 0)
-        { co_yield Add{2, 1, matrix(1, 2)}; matrix(1, 2) = 0; }
-      // 将第二行第二列元素化为 1
-      if (matrix(1, 1) == 0) [[unlikely]] throw std::runtime_error("Transformation matrix is singular.");
-      else if (matrix(1, 1) != 1)
-        { co_yield Multiply{1, matrix(1, 1)}; matrix(1, 1) = 1; }
-      // 将第一行第二列元素化为 0
-      if (matrix(0, 1) != 0)
-        { co_yield Add{1, 0, matrix(0, 1)}; matrix(0, 1) = 0; }
-      // 将第一行第一列元素化为 1
-      if (matrix(0, 0) == 0) [[unlikely]] throw std::runtime_error("Transformation matrix is singular.");
-      else if (matrix(0, 0) != 1)
-        { co_yield Multiply{0, matrix(0, 0)}; matrix(0, 0) = 1; }
-    };
-
-    auto deformatin = Eigen::Matrix3d::Identity().eval();
-    auto multiplier = Eigen::Vector3i::Ones().eval();
-    for (auto i : decompose(transformation))
-    {
-      if (std::holds_alternative<Multiply>(i))
-      {
-        auto [at, multiply] = std::get<Multiply>(i);
-        multiplier(at) *= multiply;
-      }
-      else if (std::holds_alternative<Add>(i))
-      {
-        auto [from, to, multiply] = std::get<Add>(i);
-        auto transform = Eigen::Matrix3d::Identity().eval();
-        transform(to, from) = static_cast<double>(multiply) / multiplier(from) * multiplier(to);
-        deformatin = deformatin * transform;
-      }
-      else if (std::holds_alternative<Exchange>(i))
-      {
-        auto [from, to] = std::get<Exchange>(i);
-        deformatin.col(from).swap(deformatin.col(to));
-        std::swap(multiplier(from), multiplier(to));
-      }
-    }
-    return {deformatin, multiplier};
-  };
-
  // 构建基
  // 每个 q 点对应一组 sub qpoint。不同的 q 点所对应的 sub qpoint 是不一样的，但 sub qpoint 与 q 点的相对位移在不同 q 点之间是相同的。
  // 由于基只与这个相对位置有关（也就是说，不同 q 点的基是一样的），因此可以先计算出所有的基，这样降低计算量。
@ -245,9 +118,10 @@ void ufo::unfold(std::string config_file)
  auto construct_basis = []
  (
    Eigen::Matrix3d primative_cell, Eigen::Vector3i super_cell_multiplier,
-    Eigen::Vector<unsigned, 3> primative_cell_basis_number, Eigen::MatrixX3d atom_position
+    Eigen::Vector<std::size_t, 3> primative_cell_basis_number, Eigen::MatrixX3d atom_position
  )
  {
+    biu::Logger::Guard log;
    std::vector<std::vector<Eigen::VectorXcd>> basis(super_cell_multiplier.prod());
    // diff_of_sub_qpoint 表示 sub qpoint 与 qpoint 的相对位置，单位为超胞的倒格矢
    for (auto [diff_of_sub_qpoint_by_reciprocal_modified_super_cell, i_of_sub_qpoint]
@ -261,14 +135,6 @@ void ufo::unfold(std::string config_file)
        auto diff_of_sub_qpoint_by_reciprocal_primative_cell = xyz_of_basis.cast<double>()
          + super_cell_multiplier.cast<double>().cwiseInverse().asDiagonal()
          * diff_of_sub_qpoint_by_reciprocal_modified_super_cell.cast<double>();
-        // DiffOfSubQpoint
-        //  = (DiffOfSubQpointByReciprocalPrimativeCell.transpose() * ReciprocalPrimativeCell).transpose()
-        // ReciprocalPrimativeCell = PrimativeCell.transpose().inverse()
-        // SuperCell = SuperCellTransformation * PrimativeCell
-        // ReciprocalSuperCell = SuperCell.transpose().inverse()
-        // AtomPosition = AtomPositionBySuperCell * SuperCell.transpose()
-        // 整理得到：
-        // 
        // 将单位转换为埃^-1
        auto diff_of_sub_qpoint = (diff_of_sub_qpoint_by_reciprocal_primative_cell.transpose()
          * (primative_cell.transpose().inverse())).transpose();
@ -287,7 +153,7 @@ void ufo::unfold(std::string config_file)
    const std::vector<std::vector<Eigen::VectorXcd>>& basis,
    // 实际上只需要其中的 AtomMovement
    const std::vector<UnfoldOutput::MetaQpointDataType>& qpoint_data,
-    std::atomic<unsigned>& number_of_finished_modes
+    std::atomic<std::size_t>& number_of_finished_modes
  )
  {
    // 将所有的模式取出，组成一个一维数组，稍后并行计算
@ -299,21 +165,20 @@ void ufo::unfold(std::string config_file)
    // 对每个模式并行
    std::transform
    (
-      std::execution::par, mode_data.begin(), mode_data.end(),
+      std::execution::par_unseq, mode_data.begin(), mode_data.end(),
      projection_coefficient.begin(), [&](const auto& mode_data)
      {
        // 这里, mode_data 和 projection_coefficient 均指对应于一个模式的数据
        std::vector<double> projection_coefficient(basis.size());
-        for (unsigned i_of_sub_qpoint = 0; i_of_sub_qpoint < basis.size(); i_of_sub_qpoint++)
+        for (std::size_t i_of_sub_qpoint = 0; i_of_sub_qpoint < basis.size(); i_of_sub_qpoint++)
          // 对于 basis 中, 对应于单胞倒格子的部分, 以及对应于不同方向的部分, 分别求内积, 然后求模方和
-          for (unsigned i_of_basis = 0; i_of_basis < basis[i_of_sub_qpoint].size(); i_of_basis++)
+          for (std::size_t i_of_basis = 0; i_of_basis < basis[i_of_sub_qpoint].size(); i_of_basis++)
            projection_coefficient[i_of_sub_qpoint] +=
              (basis[i_of_sub_qpoint][i_of_basis].transpose().conjugate() * mode_data.get())
                .array().abs2().sum();
        // 如果是严格地将向量分解到一组完备的基矢上, 那么不需要对计算得到的权重再做归一化处理
        // 但这里并不是这样一个严格的概念. 因此对分解到各个 sub qpoint 上的权重做归一化处理
-        auto sum = std::accumulate
-          (projection_coefficient.begin(), projection_coefficient.end(), 0.);
+        auto sum = ranges::accumulate(projection_coefficient, 0.);
        for (auto& _ : projection_coefficient) _ /= sum;
        number_of_finished_modes++;
        return projection_coefficient;
@ -324,8 +189,9 @@ void ufo::unfold(std::string config_file)
    std::vector<std::vector<std::vector<double>>> projection_coefficient_output;
    for
    (
-      unsigned i_of_meta_qpoint = 0, num_of_mode_manipulated = 0;
-      i_of_meta_qpoint < qpoint_data.size(); i_of_meta_qpoint++
+      std::size_t i_of_meta_qpoint = 0, num_of_mode_manipulated = 0;
+      i_of_meta_qpoint < qpoint_data.size();
+      i_of_meta_qpoint++, num_of_mode_manipulated += qpoint_data[i_of_meta_qpoint].ModeData.size()
    )
      projection_coefficient_output.emplace_back
      (
@ -339,8 +205,6 @@ void ufo::unfold(std::string config_file)
  auto construct_output = []
  (
    const Input& input,
-    const Eigen::Vector3i& super_cell_multiplier,
-    const Eigen::Matrix3d& super_cell_deformation,
    const std::vector<std::vector<std::vector<double>>>& projection_coefficient,
    const std::vector<UnfoldOutput::MetaQpointDataType>& qpoint_data,
    const std::optional<std::vector<std::size_t>>& selected_atoms
@ -348,31 +212,30 @@ void ufo::unfold(std::string config_file)
  {
    UnfoldOutput output;
    output.PrimativeCell = input.PrimativeCell;
-    output.SuperCellTransformation = input.SuperCellTransformation;
-    output.SuperCellMultiplier = super_cell_multiplier;
-    output.SuperCellDeformation = super_cell_deformation;
+    output.SuperCellMultiplier = input.SuperCellMultiplier;
+    output.SuperCellDeformation = input.SuperCellDeformation;
    output.SelectedAtoms = selected_atoms;
    output.MetaQpointData = qpoint_data;
-    for (unsigned i_of_meta_qpoint = 0; i_of_meta_qpoint < qpoint_data.size(); i_of_meta_qpoint++)
+    for (std::size_t i_of_meta_qpoint = 0; i_of_meta_qpoint < qpoint_data.size(); i_of_meta_qpoint++)
    {
      // 如果需要投影到特定的原子上，需要先计算当前 meta qpoint 的不同模式的投影系数
      std::optional<std::vector<double>> projection_coefficient_on_atoms;
      if (selected_atoms)
      {
        projection_coefficient_on_atoms.emplace();
-        for (std::size_t i = 0; i < qpoint_data[i_of_meta_qpoint].ModeData.size(); i++)
+        for (std::size_t i_of_mode = 0; i_of_mode < qpoint_data[i_of_meta_qpoint].ModeData.size(); i_of_mode++)
        {
          projection_coefficient_on_atoms.value().emplace_back(0);
          for (auto atom : *selected_atoms)
            projection_coefficient_on_atoms.value().back()
-              += qpoint_data[i_of_meta_qpoint].ModeData[i].AtomMovement.row(atom).array().abs2().sum();
+              += qpoint_data[i_of_meta_qpoint].ModeData[i_of_mode].AtomMovement.row(atom).array().abs2().sum();
        }
      }

      for
      (
        auto [diff_of_sub_qpoint_by_reciprocal_modified_super_cell, i_of_sub_qpoint]
-          : biu::sequence(super_cell_multiplier)
+          : biu::sequence(input.SuperCellMultiplier)
      )
      {
        auto& _ = output.QpointData.emplace_back();
@ -399,10 +262,10 @@ void ufo::unfold(std::string config_file)
        */
        auto sub_qpoint_by_reciprocal_primative_cell =
        (
-          super_cell_multiplier.cast<double>().cwiseInverse().asDiagonal()
+          input.SuperCellMultiplier.cast<double>().cwiseInverse().asDiagonal()
          * (
            diff_of_sub_qpoint_by_reciprocal_modified_super_cell.cast<double>()
-              + super_cell_deformation.inverse() * qpoint_data[i_of_meta_qpoint].Qpoint
+              + input.SuperCellDeformation.inverse() * qpoint_data[i_of_meta_qpoint].Qpoint
          )
        ).eval();
        _.Qpoint = sub_qpoint_by_reciprocal_primative_cell.array()
@ -410,7 +273,7 @@ void ufo::unfold(std::string config_file)
        _.Source = qpoint_data[i_of_meta_qpoint].Qpoint;
        _.SourceIndex = i_of_meta_qpoint;

-        for (unsigned i_of_mode = 0; i_of_mode < qpoint_data[i_of_meta_qpoint].ModeData.size(); i_of_mode++)
+        for (std::size_t i_of_mode = 0; i_of_mode < qpoint_data[i_of_meta_qpoint].ModeData.size(); i_of_mode++)
        {
          auto& __ = _.ModeData.emplace_back();
          __.Frequency = qpoint_data[i_of_meta_qpoint].ModeData[i_of_mode].Frequency;
@ -423,31 +286,31 @@ void ufo::unfold(std::string config_file)
    return output;
  };

-  std::clog << "Reading input file... " << std::flush;
+  biu::Logger::Guard log;
+  log.info("Reading input file... ");
  auto input = YAML::LoadFile(config_file).as<Input>();
-  auto qpoint_data
-    = read_qpoint_data(input.QpointDataInputFile.value_or("band.hdf5"));
-  std::clog << "Done." << std::endl;
+  auto qpoint_data = read_qpoint_data(input.QpointDataInputFile.value_or("band.hdf5"));
+  log.info("Done.");

  std::clog << "Constructing basis... " << std::flush;
-  auto [super_cell_deformation, super_cell_multiplier]
-    = decompose_transformation(input.SuperCellTransformation);
+
  auto basis = construct_basis
  (
-    input.PrimativeCell, super_cell_multiplier,
+    input.PrimativeCell, input.SuperCellMultiplier,
    input.PrimativeCellBasisNumber,
    input.AtomPositionBySuperCell
-      * (input.SuperCellTransformation.cast<double>() * input.PrimativeCell).transpose()
+      * (input.SuperCellDeformation * input.SuperCellMultiplier.cast<double>().asDiagonal() * input.PrimativeCell)
  );
  std::clog << "Done." << std::endl;

  std::clog << "Calculating projection coefficient... " << std::flush;
  // 用来在屏幕上输出进度的计数器和线程
-  std::atomic<unsigned> number_of_finished_modes(0);
+  std::atomic<std::size_t> number_of_finished_modes(0);
  auto number_of_modes = ranges::accumulate
  (
    qpoint_data
-      | ranges::views::transform([](const auto& qpoint) { return qpoint.ModeData.size(); }),
+      | ranges::views::transform([](const auto& qpoint)
+        { return qpoint.ModeData.size(); }),
    0ul
  );
  std::atomic<bool> finished;
@ -471,10 +334,7 @@ void ufo::unfold(std::string config_file)
  for (auto& output_file : input.QpointDataOutputFile)
  {
    auto output = construct_output
-    (
-      input, super_cell_multiplier, super_cell_deformation,
-      projection_coefficient, qpoint_data, output_file.SelectedAtoms
-    );
+      (input, projection_coefficient, qpoint_data, output_file.SelectedAtoms);
    if (output_file.OutputAsYaml.value_or(false)) std::ofstream(output_file.Filename) << YAML::Node(output);
    else std::ofstream(output_file.Filename, std::ios::binary) << biu::serialize<char>(output);
  }
--- a/packages/ufo/test/fold/config.yaml
+++ b/packages/ufo/test/fold/config.yaml
@ -1,6 +1,7 @@
-SuperCellTransformation:
-  - [ 3, 0, 0 ]
-  - [ 2, 4, 0 ]
+SuperCellMultiplier: [3, 4, 1]
+SuperCellDeformation:
+  - [ 1, 0, 0 ]
+  - [ 0.6666, 1, 0 ]
  - [ 0, 0, 1 ]
 Qpoints:
  - [0, 0, 0]
--- a/packages/ufo/test/fold/output.yaml
+++ b/packages/ufo/test/fold/output.yaml
@ -1,45 +0,0 @@
-Qpoints:
-  -
-    - 0
-    - 0
-    - 0
-  -
-    - 0.15000000000000002
-    - 0.10000000000000001
-    - 0
-  -
-    - 0.30000000000000004
-    - 0.20000000000000001
-    - 0
-  -
-    - 0.44999999999999996
-    - 0.29999999999999999
-    - 0
-  -
-    - 0.60000000000000009
-    - 0.40000000000000002
-    - 0
-  -
-    - 0.75
-    - 0.5
-    - 0
-  -
-    - 0.89999999999999991
-    - 0.59999999999999998
-    - 0
-  -
-    - 0.049999999999999822
-    - 0.69999999999999996
-    - 0
-  -
-    - 0.20000000000000018
-    - 0.80000000000000004
-    - 0
-  -
-    - 0.35000000000000009
-    - 0.90000000000000002
-    - 0
-  -
-    - 0.5
-    - 0
-    - 0
Author	SHA1	Message	Date
chn	e441395c36	fix build	2024-09-14 22:42:26 +08:00
chn	35856d9293	Merge branch 'debug' into production	2024-09-14 22:30:31 +08:00
chn	36190b5e93	flake: 整理 srv1	2024-09-14 22:30:15 +08:00
chn	14c86412a1	modules.packages.desktop: remove etcher	2024-09-14 22:19:46 +08:00
chn	8d3e516c62	modules.user.chn: fix	2024-09-14 22:16:38 +08:00
chn	e3fe00a53d	modules.users.chn: 使用来自 home-manager 的 impermanence	2024-09-14 19:12:22 +08:00
chn	feb5a5b952	split flake	2024-09-14 18:49:12 +08:00
chn	59c3b98223	packages.ufo: fix	2024-09-14 18:01:29 +08:00
chn	14fdf5a1f6	packages.ufo: fix	2024-09-14 13:16:44 +08:00
chn	1a7137fda7	packages.ufo: fix	2024-09-14 12:15:39 +08:00