localPackages: add workaround for gb

local/pkgs/default.nix

@@ -49,13 +49,15 @@ inputs: rec
     gnu = inputs.pkgs.callPackage ./vasp/gnu
     {
       inherit (inputs.pkgs.llvmPackages) openmp;
-      inherit wannier90;
+      inherit wannier90 additionalCommands;
       hdf5 = inputs.pkgs.hdf5.override { mpiSupport = true; fortranSupport = true; };
     };
-    nvidia = inputs.pkgs.callPackage ./vasp/nvidia { inherit lmod nvhpc wannier90; hdf5 = hdf5-nvhpc; };
-    intel = inputs.pkgs.callPackage ./vasp/intel { inherit lmod oneapi wannier90; hdf5 = hdf5-oneapi; };
+    nvidia = inputs.pkgs.callPackage ./vasp/nvidia
+      { inherit lmod nvhpc wannier90 additionalCommands; hdf5 = hdf5-nvhpc; };
+    intel = inputs.pkgs.callPackage ./vasp/intel
+      { inherit lmod oneapi wannier90 additionalCommands; hdf5 = hdf5-oneapi; };
     amd = inputs.pkgs.callPackage ./vasp/amd
-      { inherit aocc aocl wannier90; hdf5 = hdf5-aocc; openmpi = openmpi-aocc; gcc = gcc-pie; };
+      { inherit aocc aocl wannier90 additionalCommands; hdf5 = hdf5-aocc; openmpi = openmpi-aocc; gcc = gcc-pie; };
     wannier90 = inputs.pkgs.callPackage
       "${inputs.topInputs.nixpkgs-unstable}/pkgs/by-name/wa/wannier90/package.nix" {};
     hdf5-nvhpc = inputs.pkgs.callPackage ./vasp/hdf5-nvhpc { inherit lmod nvhpc; inherit (inputs.pkgs.hdf5) src; };
@@ -65,6 +67,8 @@ inputs: rec
     openmpi-aocc = inputs.pkgs.callPackage ./vasp/openmpi-aocc { inherit aocc; gcc = gcc-pie; };
     gcc-pie = inputs.pkgs.wrapCC (inputs.pkgs.gcc.cc.overrideAttrs (prev:
       { configureFlags = prev.configureFlags ++ [ "--enable-default-pie" ];}));
+    additionalCommands =
+      ''[ "$(id -u)" -eq ${builtins.toString inputs.config.nixos.system.user.user.gb} ] && exit 1'';
   };
   oneapi = inputs.pkgs.callPackage ./oneapi {};
   mumax = inputs.pkgs.callPackage ./mumax { src = inputs.topInputs.mumax; };

local/pkgs/vasp/amd/default.nix

@@ -1,6 +1,7 @@
 {
   buildFHSEnv, writeScript, stdenvNoCC, requireFile, substituteAll,
-  aocc, rsync, which, hdf5, wannier90, aocl, openmpi, gcc, zlib, glibc, binutils, libpsm2
+  aocc, rsync, which, hdf5, wannier90, aocl, openmpi, gcc, zlib, glibc, binutils, libpsm2,
+  additionalCommands ? ""
 }:
 let
   sources = import ../source.nix { inherit requireFile; };
@@ -56,6 +57,8 @@ let
       export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
     fi
 
+    ${additionalCommands}
+
     exec "$@"
   '';
   runEnv = version: buildFHSEnv

local/pkgs/vasp/gnu/default.nix

@@ -1,6 +1,7 @@
 {
   stdenvNoCC, requireFile, writeShellApplication, substituteAll,
-  rsync, blas, scalapack, mpi, openmp, gfortran, gcc, fftwMpi, hdf5, wannier90
+  rsync, blas, scalapack, mpi, openmp, gfortran, gcc, fftwMpi, hdf5, wannier90,
+  additionalCommands ? ""
 }:
 let
   sources = import ../source.nix { inherit requireFile; };
@@ -41,6 +42,9 @@ let
       if [ -n "''${SLURM_CPUS_PER_TASK-}" ]; then
         export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
       fi
+
+      ${additionalCommands}
+
       exec "$@"
     '';
   };

local/pkgs/vasp/intel/default.nix

@@ -1,6 +1,6 @@
 {
   buildFHSEnv, writeScript, stdenvNoCC, requireFile, substituteAll, symlinkJoin,
-  config, oneapiArch ? config.oneapiArch or "SSE3",
+  config, oneapiArch ? config.oneapiArch or "SSE3", additionalCommands ? "",
   oneapi, gcc, glibc, lmod, rsync, which, wannier90, binutils, hdf5
 }:
 let
@@ -60,6 +60,8 @@ let
       export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
     fi
 
+    ${additionalCommands}
+
     exec "$@"
   '';
   runEnv = version: buildFHSEnv

local/pkgs/vasp/nvidia/default.nix

@@ -1,6 +1,6 @@
 {
   buildFHSEnv, writeScript, stdenvNoCC, requireFile, substituteAll,
-  config, cudaCapabilities ? config.cudaCapabilities, nvhpcArch ? config.nvhpcArch or "px",
+  config, cudaCapabilities ? config.cudaCapabilities, nvhpcArch ? config.nvhpcArch or "px", additionalCommands ? "",
   nvhpc, lmod, mkl, gfortran, rsync, which, hdf5, wannier90
 }:
 let
@@ -62,6 +62,8 @@ let
       export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
     fi
 
+    ${additionalCommands}
+
     exec "$@"
   '';
   runEnv = version: buildFHSEnv

modules/packages/workstation/default.nix

@@ -28,7 +28,7 @@ inputs:
             # text editor
             appflowy notion-app-enhanced joplin-desktop standardnotes logseq
             # math, physics and chemistry
-            mathematica paraview jmol mpi localPackages.mumax quantum-espresso
+            mathematica paraview jmol mpi quantum-espresso # localPackages.mumax
             # encryption and password management
             john crunch hashcat
             # container and vm