localPackages.chn-bsub: init

flake.nix

@@ -101,6 +101,7 @@
             in pkgs.pkgsStatic.localPackages.hpcstat.override
               { inherit openssh duc; standalone = true; version = inputs.self.rev or "dirty"; };
           ufo = pkgs.pkgsStatic.localPackages.ufo.override { version = inputs.self.rev or "dirty"; };
+          chn-bsub = pkgs.pkgsStatic.localPackages.chn-bsub;
           nixpkgs = pkgs;
         }
         // (
@@ -207,6 +208,12 @@
             packages = [ pkgs.clang-tools_18 ];
             CMAKE_EXPORT_COMPILE_COMMANDS = "1";
           };
+          chn-bsub = pkgs.mkShell
+          {
+            inputsFrom = with pkgs.localPackages; [ chn-bsub ];
+            buildInputs = [ pkgs.clang-tools_18 ];
+            CMAKE_EXPORT_COMPILE_COMMANDS = "1";
+          };
         };
     };
 }

local/pkgs/chn-bsub/CMakeLists.txt

@@ -0,0 +1,26 @@
+cmake_minimum_required(VERSION 3.14)
+project(chn-bsub VERSION 0.0.0 LANGUAGES CXX)
+enable_testing()
+include(GNUInstallDirs)
+
+if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CONFIGURATION_TYPES)
+  message("Setting build type to 'Release' as none was specified.")
+  set(CMAKE_BUILD_TYPE Release CACHE STRING "Choose the type of build." FORCE)
+  set_property(CACHE CMAKE_BUILD_TYPE PROPERTY STRINGS "Debug" "Release" "MinSizeRel" "RelWithDebInfo")
+endif()
+
+find_package(ftxui REQUIRED)
+find_package(Boost REQUIRED COMPONENTS filesystem iostreams)
+find_package(range-v3 REQUIRED)
+find_package(biu REQUIRED)
+
+add_executable(chn-bsub src/main.cpp)
+target_compile_features(chn-bsub PUBLIC cxx_std_23)
+target_link_libraries(chn-bsub PRIVATE fmt::fmt ftxui::screen ftxui::dom ftxui::component Boost::filesystem
+  range-v3::range-v3 biu::biu)
+
+install(TARGETS chn-bsub RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR})
+
+get_property(ImportedTargets DIRECTORY "${CMAKE_SOURCE_DIR}" PROPERTY IMPORTED_TARGETS)
+message("Imported targets: ${ImportedTargets}")
+message("List of compile features: ${CMAKE_CXX_COMPILE_FEATURES}")

local/pkgs/chn-bsub/default.nix

@@ -0,0 +1,12 @@
+{
+  stdenv, lib, sbatchConfig ? null, substituteAll, runCommand,
+  cmake, pkg-config, ftxui, biu
+}:
+stdenv.mkDerivation
+{
+  name = "chn-bsub";
+  src = ./.;
+  buildInputs = [ ftxui biu ];
+  nativeBuildInputs = [ cmake pkg-config ];
+  postInstall = "ln -s chn-bsub $out/bin/chn_bsub";
+}

local/pkgs/chn-bsub/src/main.cpp

@@ -0,0 +1,202 @@
+# include <map>
+# include <filesystem>
+# include <ftxui/component/component.hpp>
+# include <ftxui/component/component_options.hpp>
+# include <ftxui/component/screen_interactive.hpp>
+# include <boost/process.hpp>
+# include <boost/algorithm/string.hpp>
+# include <biu.hpp>
+
+using namespace biu::literals;
+
+int main()
+{
+	// 需要绑定到界面上的变量
+	struct
+	{
+		std::array<int, 3> vasp_version_selected = {0, 0, 0};
+		std::vector<std::string> vasp_version_entries_level1 = {"640", "631"};
+		std::map<std::string, std::vector<std::string>> vasp_version_entries_level2 = 
+		{
+			{"640", {"(default)", "fixc", "optcell_vtst_wannier90", "shmem", "vtst"}},
+			{"631", {"shmem"}}
+		};
+		std::vector<std::string> vasp_version_entries_level3 = {"std", "gam", "ncl"};
+
+		int queue_selected = 0;
+		std::vector<std::string> queue_entries =
+		{
+			"normal_1day", "normal_1week", "normal",
+			"normal_1day_new", "ocean_530_1day", "ocean6226R_1day"
+		};
+		std::map<std::string, std::size_t> max_cores =
+		{
+			{"normal_1day", 28}, {"normal_1week", 28}, {"normal", 20},
+			{"normal_1day_new", 24}, {"ocean_530_1day", 24}, {"ocean6226R_1day", 32}
+		};
+		std::string ncores = "";
+		std::string job_name = []
+		{
+			// /data/gpfs01/jykang/linwei/chn/lammps-SiC
+			std::vector<std::string> paths;
+			boost::split(paths, std::filesystem::current_path().string(),
+				boost::is_any_of("/"));
+			if (paths.size() < 7)
+				return "my-great-job"s;
+			else
+				return paths[5] + "_" + paths.back();
+		}();
+		std::string bsub = "";
+		std::string user_command = "";
+	} state;
+
+	// 为组件增加标题栏
+	auto component_with_title = [](std::string title, ftxui::Component component)
+	{
+		return ftxui::Renderer(component, [title, component]
+		{
+			return ftxui::vbox
+			({
+				ftxui::text(title) | ftxui::bgcolor(ftxui::Color::Blue),
+				component->Render(),
+				ftxui::separator()
+			});
+		});
+	};
+
+	// 构建界面, 需要至少 25 行 47 列
+	auto screen = ftxui::ScreenInteractive::Fullscreen();
+	auto request_interface = [&state, &screen, &component_with_title]
+	{
+		auto vasp_version_level1 = ftxui::Menu
+			(&state.vasp_version_entries_level1, &state.vasp_version_selected[0])
+			| ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 8);
+		std::vector<ftxui::Component> vasp_version_level2_children;
+		for (auto& i : state.vasp_version_entries_level1)
+			vasp_version_level2_children.push_back(ftxui::Menu
+			(
+				&state.vasp_version_entries_level2[i],
+				&state.vasp_version_selected[1]
+			));
+		auto vasp_version_level2 = ftxui::Container::Tab
+		(
+			vasp_version_level2_children,
+			&state.vasp_version_selected[0]
+		) | ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 27);
+		auto vasp_version_level3 = ftxui::Menu
+			(&state.vasp_version_entries_level3, &state.vasp_version_selected[2])
+			| ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 8);
+		auto vasp_version = component_with_title("Select vasp version:",
+			ftxui::Container::Horizontal
+				({vasp_version_level1, vasp_version_level2, vasp_version_level3})
+			| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 5));
+		auto queue = component_with_title("Select queue:",
+			ftxui::Menu(&state.queue_entries, &state.queue_selected)
+			| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 6));
+		auto ncores = component_with_title("Input cores you want to use:",
+			ftxui::Input(&state.ncores, "(leave blank to use all cores)"))
+			| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 3);
+		auto job_name = component_with_title("Job name:",
+			ftxui::Input(&state.job_name, ""))
+			| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 3);
+		auto continue_button = ftxui::Button("Continue",
+			[&]{state.user_command = "continue"; screen.ExitLoopClosure()();});
+		auto quit_button = ftxui::Button("Quit",
+			[&]{state.user_command = "quit"; screen.ExitLoopClosure()();});
+		return ftxui::Container::Vertical
+		({
+			vasp_version, queue, ncores, job_name,
+			ftxui::Container::Horizontal({continue_button, quit_button})
+		}) | ftxui::borderHeavy
+			| ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 47)
+			| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 24);
+	}();
+	auto confirm_interface = [&state, &screen, &component_with_title]
+	{
+		ftxui::InputOption input_option;
+		input_option.multiline = true;
+		return ftxui::Container::Vertical
+		({
+			component_with_title
+			(
+				"Double check & modify submit command:",
+				ftxui::Input(&state.bsub, "", input_option)
+			)
+				| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 7),
+			ftxui::Container::Horizontal
+			({
+				ftxui::Button("Submit",
+					[&]{state.user_command = "submit"; screen.ExitLoopClosure()();}),
+				ftxui::Button("Quit",
+					[&]{state.user_command = "quit"; screen.ExitLoopClosure()();}),
+				ftxui::Button("Back",
+					[&]{state.user_command = "back"; screen.ExitLoopClosure()();})
+			}),
+			ftxui::Renderer([]{return ftxui::vbox
+			({
+				ftxui::separator(),
+				ftxui::text("Source code:"),
+				ftxui::text("https://github.com/CHN-beta/chn_bsub.git"),
+				ftxui::text("Star & PR are welcome!"),
+			});})
+		}) | ftxui::borderHeavy
+			| ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 47)
+			| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 14);
+	}();
+
+	// 实际投递任务
+	auto submit = [](std::string bsub)
+	{
+		// replace \n with space
+		boost::replace_all(bsub, "\n", " ");
+		auto process = boost::process::child
+		(
+			boost::process::search_path("sh"), "-c", bsub,
+			boost::process::std_in.close(),
+			boost::process::std_out > stdout,
+			boost::process::std_err > stderr
+		);
+		process.wait();
+	};
+
+	// 进入事件循环
+	while (true)
+	{
+		screen.Loop(request_interface);
+		if (state.user_command == "quit")
+			return EXIT_FAILURE;
+		else if (state.user_command != "continue")
+			throw std::runtime_error("user_command is not recognized");
+		state.bsub = fmt::format
+		(
+			"bsub -J '{}'\n-q {}\n-n {}\n-R 'span[hosts=1]'\n-o 'output.txt'\nchn_vasp.sh {}",
+			state.job_name,
+			state.queue_entries[state.queue_selected],
+			state.ncores.empty() ? state.max_cores[state.queue_entries[state.queue_selected]] :
+				std::stoi(state.ncores),
+			[&]
+			{
+				auto version_level1 = state.vasp_version_entries_level1[state.vasp_version_selected[0]];
+				auto version_level2 = state.vasp_version_entries_level2[version_level1]
+					[state.vasp_version_selected[1]];
+				auto version_level3 = state.vasp_version_entries_level3[state.vasp_version_selected[2]];
+				return fmt::format
+				(
+					"{}{}_{}",
+					version_level1,
+					version_level2 == "(default)" ? ""s : "_" + version_level2,
+					version_level3
+				);
+			}()
+		);
+		screen.Loop(confirm_interface);
+		if (state.user_command == "quit")
+			return EXIT_FAILURE;
+		else if (state.user_command == "back")
+			continue;
+		else if (state.user_command != "submit")
+			throw std::runtime_error("user_command is not recognized");
+		submit(state.bsub);
+		break;
+	}
+}

local/pkgs/default.nix

@@ -81,6 +81,7 @@ inputs: rec
   sbatch-tui = inputs.pkgs.callPackage ./sbatch-tui { inherit biu; };
   ufo = inputs.pkgs.callPackage ./ufo
     { inherit concurrencpp biu glad matplotplusplus zpp-bits; tbb = inputs.pkgs.tbb_2021_11; };
+  chn-bsub = inputs.pkgs.callPackage ./chn-bsub { inherit biu; };
 
   fromYaml = content: builtins.fromJSON (builtins.readFile
     (inputs.pkgs.runCommand "toJSON" {}