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add flake.nix
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‎flake.nix‎

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{
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description = "RAYX simulation tool with CUDA, OpenMP, valgrind, and Ninja build";
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inputs = {
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nixpkgs.url = "github:NixOS/nixpkgs/nixos-25.05";
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};
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outputs = { self, nixpkgs }:
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let
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system = "x86_64-linux";
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pkgs = import nixpkgs { inherit system; config.allowUnfree = true; };
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src = pkgs.fetchgit {
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url = "https://github.com/hz-b/rayx";
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rev = "5694a0117e7d8e58a1b19f35202891270dc5ee91"; # git commit hash for desired version
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sha256 = "sha256-clfHvQK9JI/TWDmpXiTtBie4q++F9+F37uzTvLqvMlc="; # fill after build failure
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fetchSubmodules = true;
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};
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in {
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packages.${system} = rec {
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rayx = pkgs.stdenv.mkDerivation {
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pname = "rayx";
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version = "1.1.0";
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inherit src;
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nativeBuildInputs = with pkgs; [
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cmake
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gcc
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llvmPackages.openmp
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ninja
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patchelf
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];
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buildInputs = with pkgs; [
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hdf5
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];
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configurePhase = ''
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mkdir build
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cd build
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cmake -G Ninja .. \
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-DCMAKE_BUILD_TYPE=Release \
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-DCMAKE_SKIP_BUILD_RPATH=ON \
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-DRAYX_ENABLE_CUDA=OFF \
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-DRAYX_REQUIRE_CUDA=ON \
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-DRAYX_ENABLE_OPENMP=ON \
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-DRAYX_REQUIRE_OPENMP=ON \
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-DRAYX_ENABLE_H5=ON \
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-DRAYX_REQUIRE_H5=ON \
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-DRAYX_WERROR=OFF \
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-DRAYX_BUILD_TESTS=OFF \
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-DRAYX_BUILD_RAYX_CLI=ON \
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-DRAYX_BUILD_RAYX_UI=OFF
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'';
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buildPhase = ''
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ninja -v rayx
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'';
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installPhase = ''
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mkdir -p $out/bin
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cp -r bin/release/Data $out/bin
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cp -r bin/release/rayx $out/bin
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mkdir -p $out/lib
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cp -r lib/release/* $out/lib
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'';
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meta.description = "TODO"; # TODO: write description
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};
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rayx-cuda = pkgs.stdenv.mkDerivation {
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pname = "rayx-cuda";
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version = "1.1.0";
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inherit src;
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nativeBuildInputs = with pkgs; [
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cmake
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gcc14 # pin gcc version for cuda version 12 compatibility
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llvmPackages.openmp
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ninja
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patchelf
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];
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buildInputs = with pkgs; [
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hdf5
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cudaPackages.cuda_cudart
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cudaPackages.cuda_nvcc
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];
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configurePhase = ''
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mkdir build
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cd build
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echo "g++ --version"
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g++ --version
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echo "nvcc --version"
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nvcc --version
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cmake -G Ninja .. \
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-DCMAKE_BUILD_TYPE=Release \
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-DCMAKE_SKIP_BUILD_RPATH=ON \
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-DRAYX_ENABLE_CUDA=ON \
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-DRAYX_REQUIRE_CUDA=ON \
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-DRAYX_ENABLE_OPENMP=ON \
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-DRAYX_REQUIRE_OPENMP=ON \
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-DRAYX_ENABLE_H5=ON \
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-DRAYX_REQUIRE_H5=ON \
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-DRAYX_WERROR=OFF \
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-DRAYX_BUILD_TESTS=OFF \
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-DRAYX_BUILD_RAYX_CLI=ON \
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-DRAYX_BUILD_RAYX_UI=OFF
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'';
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buildPhase = ''
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ninja -v rayx
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'';
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installPhase = ''
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mkdir -p $out/bin
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cp -r bin/release/Data $out/bin
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cp -r bin/release/rayx $out/bin
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mkdir -p $out/lib
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cp -r lib/release/* $out/lib
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'';
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meta.description = "TODO"; # TODO: write description
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};
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rayx-run-tests = pkgs.stdenv.mkDerivation {
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pname = "rayx-run-tests";
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version = "1.1.0";
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inherit src;
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nativeBuildInputs = with pkgs; [
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cmake
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gcc
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llvmPackages.openmp
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ninja
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patchelf
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valgrind
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];
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buildInputs = with pkgs; [
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hdf5
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];
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configurePhase = ''
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mkdir build
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cd build
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cmake -G Ninja .. \
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-DCMAKE_BUILD_TYPE=Release \
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-DRAYX_ENABLE_CUDA=OFF \
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-DRAYX_REQUIRE_CUDA=ON \
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-DRAYX_ENABLE_OPENMP=ON \
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-DRAYX_REQUIRE_OPENMP=ON \
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-DRAYX_ENABLE_H5=ON \
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-DRAYX_REQUIRE_H5=ON \
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-DRAYX_WERROR=ON \
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-DRAYX_BUILD_TESTS=ON \
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-DRAYX_BUILD_RAYX_CLI=ON \
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-DRAYX_BUILD_RAYX_UI=OFF
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'';
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buildPhase = ''
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ninja -v rayx rayx-core-tst
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'';
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# TODO: provide a better way to access test input file
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# TODO: testing should not be in the build phase, but rayx-core-tst depends on source directory being preset
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installPhase = ''
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mkdir -p $out
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RML=../Intern/rayx-core/tests/input/METRIX_U41_G1_H1_318eV_PS_MLearn_v114.rml
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# run rayx with valgrind to catch memory issues
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valgrind --error-exitcode=42 ./bin/release/rayx -x -V -i $RML |& tee $out/log_rayx.txt
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# run tests
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./bin/release/rayx-core-tst -x |& tee $out/log_rayx-core-tst.txt
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'';
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meta.description = "TODO"; # TODO: write description
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};
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default = rayx;
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};
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devShells.${system} = rec {
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rayx = pkgs.mkShell {
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buildInputs = with pkgs; [
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self.packages.${system}.rayx
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hdf5
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];
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shellHook = ''
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echo "To get info about rayx, run: rayx --help"
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'';
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};
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rayx-cuda = pkgs.mkShell {
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buildInputs = with pkgs; [
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self.packages.${system}.rayx
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hdf5
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cudaPackages.cuda_cudart
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];
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shellHook = ''
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echo "To get info about rayx, run: rayx --help"
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'';
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};
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rayx-run-tests = pkgs.mkShell {
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buildInputs = with pkgs; [
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self.packages.${system}.rayx-run-tests
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];
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shellHook = ''
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echo "Inspect the test results in log_rayx.txt and log_rayx-core-tst.txt"
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'';
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};
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default = rayx;
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};
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};
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}

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