Merge commit 'cfc75eec4603c06503ae750f88cf397e00796ea8'

Conflicts:
	nixpkgs/pkgs/build-support/rust/build-rust-package/default.nix

2 files changed, 164 insertions, 0 deletions

diff --git a/nixpkgs/pkgs/by-name/si/simplex-chat-desktop/package.nix b/nixpkgs/pkgs/by-name/si/simplex-chat-desktop/package.nix
new file mode 100644
index 000000000000..0e1d3d8abcc4
--- /dev/null
+++ b/nixpkgs/pkgs/by-name/si/simplex-chat-desktop/package.nix
@@ -0,0 +1,46 @@
+{ lib
+, appimageTools
+, fetchurl
+}:
+
+let
+  pname = "simplex-chat-desktop";
+  version = "5.3.1";
+
+  src = fetchurl {
+    url = "https://github.com/simplex-chat/simplex-chat/releases/download/v${version}/simplex-desktop-x86_64.AppImage";
+    hash = "sha256-vykdi7SXKKsjYE/yixGrKQoWuUIOAjofLUn/fsdmLMc=";
+  };
+
+  appimageContents = appimageTools.extract {
+    inherit pname version src;
+  };
+in appimageTools.wrapType2 {
+    inherit pname version src;
+
+    extraPkgs = pkgs: with pkgs; [
+      makeWrapper
+    ];
+
+    extraBwrapArgs = [
+      "--setenv _JAVA_AWT_WM_NONREPARENTING 1"
+    ];
+
+    extraInstallCommands = ''
+      mv $out/bin/${pname}-${version} $out/bin/${pname}
+
+      install --mode=444 -D ${appimageContents}/chat.simplex.app.desktop --target-directory=$out/share/applications
+      substituteInPlace $out/share/applications/chat.simplex.app.desktop \
+        --replace 'Exec=simplex' 'Exec=${pname}'
+      cp -r ${appimageContents}/usr/share/icons $out/share
+    '';
+
+  meta = with lib; {
+    description = "Desktop application for SimpleX Chat";
+    homepage = "https://simplex.chat";
+    changelog = "https://github.com/simplex-chat/simplex-chat/releases/tag/v${version}";
+    license = licenses.agpl3Only;
+    maintainers = with maintainers; [ yuu ];
+    platforms = [ "x86_64-linux" ];
+  };
+}
diff --git a/nixpkgs/pkgs/by-name/si/sirius/package.nix b/nixpkgs/pkgs/by-name/si/sirius/package.nix
new file mode 100644
index 000000000000..2af3c28de922
--- /dev/null
+++ b/nixpkgs/pkgs/by-name/si/sirius/package.nix
@@ -0,0 +1,118 @@
+{ stdenv
+, lib
+, fetchFromGitHub
+, cmake
+, pkg-config
+, mpi
+, mpiCheckPhaseHook
+, openssh
+, gfortran
+, blas
+, lapack
+, gsl
+, libxc
+, hdf5
+, spglib
+, spfft
+, spla
+, costa
+, scalapack
+, boost
+, eigen
+, libvdwxc
+, llvmPackages
+, gpuBackend ? "none"
+, cudaPackages
+, rocmPackages
+}:
+
+assert builtins.elem gpuBackend [ "none" "cuda" "rocm" ];
+
+stdenv.mkDerivation rec {
+  pname = "SIRIUS";
+  version = "7.4.3";
+
+  src = fetchFromGitHub {
+    owner = "electronic-structure";
+    repo = pname;
+    rev = "v${version}";
+    hash = "sha256-s4rO+dePvtvn41wxCvbqgQGrEckWmfng7sPX2M8OPB0=";
+  };
+
+  postPatch = ''
+    substituteInPlace src/gpu/acc_blas_api.hpp \
+      --replace '#include <rocblas.h>' '#include <rocblas/rocblas.h>'
+  '';
+
+  nativeBuildInputs = [
+    cmake
+    gfortran
+    pkg-config
+  ];
+
+  buildInputs = [
+    blas
+    lapack
+    gsl
+    libxc
+    hdf5
+    spglib
+    spfft
+    spla
+    costa
+    scalapack
+    boost
+    eigen
+    libvdwxc
+  ]
+  ++ lib.optional (gpuBackend == "cuda") cudaPackages.cudatoolkit
+  ++ lib.optionals (gpuBackend == "rocm") [
+    rocmPackages.clr
+    rocmPackages.rocblas
+  ] ++ lib.optional stdenv.isDarwin llvmPackages.openmp
+  ;
+
+  propagatedBuildInputs = [ mpi ];
+
+  cmakeFlags = [
+    "-DUSE_SCALAPACK=ON"
+    "-DBUILD_TESTING=ON"
+    "-DUSE_VDWXC=ON"
+    "-DCREATE_FORTRAN_BINDINGS=ON"
+    "-DUSE_OPENMP=ON"
+    "-DBUILD_TESTING=ON"
+  ]
+  ++ lib.optionals (gpuBackend == "cuda") [
+    "-DUSE_CUDA=ON"
+    "-DCUDA_TOOLKIT_ROOT_DIR=${cudaPackages.cudatoolkit}"
+  ]
+  ++ lib.optionals (gpuBackend == "rocm") [
+    "-DUSE_ROCM=ON"
+    "-DHIP_ROOT_DIR=${rocmPackages.clr}"
+  ];
+
+  doCheck = true;
+
+  # Can not run parallel checks generally as it requires exactly multiples of 4 MPI ranks
+  checkPhase = ''
+    runHook preCheck
+
+    ctest --output-on-failure --label-exclude integration_test
+    ctest --output-on-failure -L cpu_serial
+
+    runHook postCheck
+  '';
+
+  nativeCheckInputs = [
+    mpiCheckPhaseHook
+    openssh
+  ];
+
+  meta = with lib; {
+    description = "Domain specific library for electronic structure calculations";
+    homepage = "https://github.com/electronic-structure/SIRIUS";
+    license = licenses.bsd2;
+    platforms = platforms.linux;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}