Revert "localPackages: remove custom stdenv"

This reverts commit f653471c23.

devices/wlin/default.nix

@@ -9,7 +9,7 @@ let
     nixpkgs = { march = "haswell"; nixRoot = "/data/gpfs01/wlin/.nix"; nixos = false; };
   });
   python = pkgs.python3.withPackages (ps: with ps; [ phonopy ]);
-  chn-bsub = pkgs.localPackages.chn-bsub.overrideAttrs
+  chn-bsub = pkgs.localPackages.chn-bsub.override
     (prev: { bsubConfig = builtins.toFile "bsub.yaml" (builtins.toJSON (import ./bsub.nix)); });
   wlin = pkgs.symlinkJoin
   {
@@ -20,6 +20,6 @@ let
       lsd
     ];
     postBuild = "echo ${inputs.self.rev or "dirty"} > $out/.version";
-    passthru = { inherit pkgs; archive = pkgs.closureInfo { rootPaths = [ wlin.drvPath ]; }; };
+    passthru = { inherit pkgs chn-bsub; archive = pkgs.closureInfo { rootPaths = [ wlin.drvPath ]; }; };
   };
 in wlin

flake/lib/buildNixpkgsConfig/default.nix

@@ -73,6 +73,11 @@ in platformConfig //
           { commandLineArgs = prev.commandLineArgs or "" + " --disable-features=GlobalShortcutsPortal"; });
         xray = prev.xray.overrideAttrs (prev: { patches = prev.patches or [] ++ [ ./xray.patch ]; });
         btop = prev.btop.overrideAttrs (prev: { patches = prev.patches or [] ++ [ ./btop.patch ]; });
+        prrte = prev.prrte.overrideAttrs (prev:
+        {
+          configureFlags = prev.configureFlags or [] ++ [ "--with-lsf" ];
+          buildInputs = prev.buildInputs or [] ++ [ final.localPackages.lsf final.libnsl ];
+        });
       }
       // (
         let

flake/src.nix

@@ -211,4 +211,13 @@
       structuredExtraConfig = { BTRFS_ALLOCATOR_HINTS = lib.kernel.yes; BTRFS_READ_POLICIES = lib.kernel.yes; };
     };
   };
+  # download include from /opt/ibm/lsfsuite/lsf/10.1/include into lsf/include
+  # download lib from /opt/ibm/lsfsuite/lsf/10.1/linux2.6-glibc2.3-x86_64/lib into lsf/lib and only preserve .so
+  lsf = pkgs.requireFile
+  {
+    name = "lsf";
+    sha256 = "0rij4xx705yj1vr5jd31hb8izmb35vkrdql0850qc5cn30jnkf4l";
+    hashMode = "recursive";
+    message = "lsf not found.";
+  };
 }

packages/chn-bsub/bsub.yaml

@@ -1,4 +1,2 @@
-Queues:
-  normal: [ 4, 4, 20 ]
-  normal_1day: [ 4, 7, 28 ]
-
+normal: [ 4, 4, 20 ]
+normal_1day: [ 4, 7, 28 ]

packages/chn-bsub/default.nix

@@ -6,4 +6,5 @@
   nativeBuildInputs = [ cmake pkg-config ];
   postInstall = "ln -s chn-bsub $out/bin/chn_bsub";
   cmakeFlags = lib.optional (bsubConfig != null) [ "-DBSUB_CONFIG=${bsubConfig}" ];
+  passthru = { inherit bsubConfig; };
 }

packages/chn-bsub/src/main.cpp

@@ -35,9 +35,9 @@ int main()
 		}();
     std::string OutputFile = "output.txt";
   } State;
-	struct { std::map<std::string, std::array<int, 3>> Queues; } QueueConfig =
+	std::map<std::string, std::array<int, 3>> QueueConfig =
 		YAML::LoadFile(BSUB_CONFIG).as<decltype(QueueConfig)>();
-	State.QueueEntries = QueueConfig.Queues
+	State.QueueEntries = QueueConfig
 		| ranges::views::transform([](auto const& item) { return item.first; })
 		| ranges::to_vector;
 
@@ -140,7 +140,7 @@ int main()
         State.CurrentInterface = InterfaceType::Confirm;
         State.SubmitCommand = [&]
 				{
-					auto [nproc, nthr, ncpu] = QueueConfig.Queues.at(State.QueueEntries[State.QueueSelected]);
+					auto [nproc, nthr, ncpu] = QueueConfig.at(State.QueueEntries[State.QueueSelected]);
 					auto args = std::vector<std::string>
 					{
 						"bsub",

packages/default.nix

@@ -147,6 +147,7 @@ inputs: rec
   missgram = inputs.pkgs.callPackage ./missgram { inherit biu sqlgen; stdenv = inputs.pkgs.clang18Stdenv; };
   sqlgen = inputs.pkgs.callPackage ./sqlgen.nix { src = inputs.topInputs.sqlgen; inherit reflectcpp; };
   reflectcpp = inputs.pkgs.callPackage ./reflectcpp.nix { src = inputs.topInputs.reflectcpp; };
+  lsf = inputs.pkgs.callPackage ./lsf.nix { src = inputs.topInputs.self.src.lsf; };
 
   fromYaml = content: builtins.fromJSON (builtins.readFile
     (inputs.pkgs.runCommand "toJSON" {}

packages/lsf.nix

@@ -0,0 +1,18 @@
+{ stdenv, src, autoPatchelfHook, libz }: stdenv.mkDerivation rec
+{
+  name = "lsf";
+  inherit src;
+  dontConfigure = true;
+  dontBuild = true;
+  buildInputs = [ stdenv.cc.cc libz ];
+  nativeBuildInputs = [ autoPatchelfHook ];
+  autoPatchelfIgnoreMissingDeps = [ "libnvidia-ml.so.1" ];
+  installPhase =
+  ''
+    runHook preInstall
+    mkdir -p $out
+    cp -r * $out
+    rm $out/lib/{hwloc_nvml,sec_ego_kerberos,sec_ego_gsskrb,sec_ego_pam_default}.so
+    runHook postInstall
+  '';
+}

packages/vasp/intel/default.nix

@@ -1,44 +1,46 @@
 { stdenv, src, writeShellScriptBin, lib, rsync, which, wannier90, hdf5, mpi, mkl }:
-let vasp = stdenv.mkDerivation
-{
-  name = "vasp-intel";
-  src = src.vasp;
-  patches = [ ../vtst.patch ];
-  configurePhase =
+let
+  vasp = stdenv.mkDerivation
+  {
+    name = "vasp-intel";
+    src = src.vasp;
+    patches = [ ../vtst.patch ];
+    configurePhase =
+    ''
+      cp ${./makefile.include} makefile.include
+      chmod +w makefile.include
+      cp ${../constr_cell_relax.F} src/constr_cell_relax.F
+      cp -r ${src.vtst.patch}/vtstcode6.4.3/* src
+      chmod -R +w src
+    '';
+    buildInputs = [ hdf5 wannier90 mkl ];
+    nativeBuildInputs = [ rsync which mpi ];
+    installPhase =
+    ''
+      mkdir -p $out/bin
+      for i in std gam ncl; do cp bin/vasp_$i $out/bin/vasp-$i; done
+    '';
+    # NIX_DEBUG = "7";
+    enableParallelBuilding = true;
+    env = { DEPS = "1"; MKLROOT = mkl; OMPI_F90 = "ifx"; };
+  };
+  wrapper = writeShellScriptBin "vasp-intel"
   ''
-    cp ${./makefile.include} makefile.include
-    chmod +w makefile.include
-    cp ${../constr_cell_relax.F} src/constr_cell_relax.F
-    cp -r ${src.vtst.patch}/vtstcode6.4.3/* src
-    chmod -R +w src
-  '';
-  buildInputs = [ hdf5 wannier90 mkl ];
-  nativeBuildInputs = [ rsync which mpi ];
-  installPhase =
-  ''
-    mkdir -p $out/bin
-    for i in std gam ncl; do cp bin/vasp_$i $out/bin/vasp-$i; done
-  '';
-  # NIX_DEBUG = "7";
-  enableParallelBuilding = true;
-  env = { DEPS = "1"; MKLROOT = mkl; OMPI_F90 = "ifx"; };
-};
-in writeShellScriptBin "vasp-intel"
-''
-  export PATH=${vasp}/bin:${mpi}/bin''${PATH:+:$PATH}
+    export PATH=${vasp}/bin:${mpi}/bin''${PATH:+:$PATH}
 
-  # set OMP_NUM_THREADS if SLURM_CPUS_PER_TASK is set
-  if [ -z "$OMP_NUM_THREADS" ] && [ -n "$SLURM_CPUS_PER_TASK" ]; then
-    export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
-  fi
-  # set OMP_NUM_THREADS to 1 if not set
-  if [ -z "$OMP_NUM_THREADS" ]; then
-    export OMP_NUM_THREADS=1
-  fi
-  # set OMP_STACKSIZE to 512M if not set
-  if [ -z "$OMP_STACKSIZE" ]; then
-    export OMP_STACKSIZE=512m
-  fi
+    # set OMP_NUM_THREADS if SLURM_CPUS_PER_TASK is set
+    if [ -z "$OMP_NUM_THREADS" ] && [ -n "$SLURM_CPUS_PER_TASK" ]; then
+      export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
+    fi
+    # set OMP_NUM_THREADS to 1 if not set
+    if [ -z "$OMP_NUM_THREADS" ]; then
+      export OMP_NUM_THREADS=1
+    fi
+    # set OMP_STACKSIZE to 512M if not set
+    if [ -z "$OMP_STACKSIZE" ]; then
+      export OMP_STACKSIZE=512m
+    fi
 
-  exec "$@"
-''
+    exec "$@"
+  '';
+in wrapper // { passthru = wrapper.passthru // { inherit mpi; }; }