{cp2k,umpire}: fix cuda builds (#576324)

pkgs/by-name/cp/cp2k/package.nix

@@ -36,6 +36,7 @@
   toml-f,
   greenx,
   gmp,
+  addDriverRunpath,
   enableElpa ? false,
   elpa,
   cudaPackages,
@@ -168,6 +169,7 @@ stdenv.mkDerivation (finalAttrs: {
   ]
   ++ lib.optionals (gpuBackend == "cuda") [
     cudaPackages.cuda_nvcc
+    addDriverRunpath
   ];
 
   buildInputs = [
@@ -267,6 +269,14 @@ stdenv.mkDerivation (finalAttrs: {
     mkdir -p $out/share/cp2k
     cp -r ../data/* $out/share/cp2k
 
+    # Patch RPATH so libcuda.so.1 (NVIDIA driver) is found at runtime.
+    # Must run before wrapProgram, which renames the original ELF binary.
+    ${lib.optionalString (gpuBackend == "cuda") ''
+      for i in $out/bin/* $out/lib/*.so*; do
+        addDriverRunpath "$i" || true
+      done
+    ''}
+
     for i in $out/bin/*; do
       wrapProgram $i \
         --set-default CP2K_DATA_DIR $out/share/cp2k \

pkgs/by-name/si/sirius/package.nix

@@ -80,6 +80,12 @@ stdenv.mkDerivation (finalAttrs: {
     # can be found across outputs.
     substituteInPlace cmake/siriusConfig.cmake.in \
       --replace-fail "NO_DEFAULT_PATH" ""
+
+    # src/CMakeLists.txt uses ''${CMAKE_CUDA_ARCHITECTURES} unquoted in
+    # set_target_properties, which breaks when multiple architectures are
+    # set (semicolon-separated list splits into separate arguments).
+    substituteInPlace src/CMakeLists.txt \
+      --replace-fail 'CUDA_ARCHITECTURES ''${CMAKE_CUDA_ARCHITECTURES}' 'CUDA_ARCHITECTURES "''${CMAKE_CUDA_ARCHITECTURES}"'
   '';
 
   outputs = [

pkgs/by-name/um/umpire/package.nix

@@ -61,6 +61,9 @@ stdenv.mkDerivation (finalAttrs: {
     lib.optionals cudaSupport [
       "-DENABLE_CUDA=ON"
       (lib.cmakeFeature "CMAKE_CUDA_ARCHITECTURES" cudaPackages.flags.cmakeCudaArchitecturesString)
+      # The bundled camp test resource_aware_pool_tests.cpp uses brace-
+      # initialization syntax that nvcc cannot compile.
+      "-DENABLE_TESTS=OFF"
     ]
     ++ lib.optionals rocmSupport [
       "-DENABLE_HIP=ON"