Add workflow upload func.

unilabos/app/main.py

@@ -20,6 +20,7 @@ if unilabos_dir not in sys.path:
 from unilabos.utils.banner_print import print_status, print_unilab_banner
 from unilabos.config.config import load_config, BasicConfig, HTTPConfig
 
+
 def load_config_from_file(config_path):
     if config_path is None:
         config_path = os.environ.get("UNILABOS_BASICCONFIG_CONFIG_PATH", None)
@@ -41,7 +42,7 @@ def convert_argv_dashes_to_underscores(args: argparse.ArgumentParser):
     for i, arg in enumerate(sys.argv):
         for option_string in option_strings:
             if arg.startswith(option_string):
-                new_arg = arg[:2] + arg[2:len(option_string)].replace("-", "_") + arg[len(option_string):]
+                new_arg = arg[:2] + arg[2 : len(option_string)].replace("-", "_") + arg[len(option_string) :]
                 sys.argv[i] = new_arg
                 break
 
@@ -155,14 +156,39 @@ def parse_args():
         default=False,
         help="Complete registry information",
     )
-
-    # label
+    # workflow upload subcommand
     workflow_parser = subparsers.add_parser(
         "workflow_upload",
+        aliases=["wf"],
         help="Upload workflow from xdl/json/python files",
     )
-    workflow_parser.add_argument("-t", "--labeltype", default="singlepoint", type=str,
-                              help="QM calculation type, support 'singlepoint', 'optimize' and 'dimer' currently")
+    workflow_parser.add_argument(
+        "-f",
+        "--workflow_file",
+        type=str,
+        required=True,
+        help="Path to the workflow file (JSON format)",
+    )
+    workflow_parser.add_argument(
+        "-n",
+        "--workflow_name",
+        type=str,
+        default=None,
+        help="Workflow name, if not provided will use the name from file or filename",
+    )
+    workflow_parser.add_argument(
+        "--tags",
+        type=str,
+        nargs="*",
+        default=[],
+        help="Tags for the workflow (space-separated)",
+    )
+    workflow_parser.add_argument(
+        "--published",
+        action="store_true",
+        default=False,
+        help="Whether to publish the workflow (default: False)",
+    )
     return parser
 
 
@@ -173,9 +199,6 @@ def main():
     convert_argv_dashes_to_underscores(args)
     args_dict = vars(args.parse_args())
 
-    # 显示启动横幅
-    print_unilab_banner(args_dict)
-
     # 环境检查 - 检查并自动安装必需的包 (可选)
     if not args_dict.get("skip_env_check", False):
         from unilabos.utils.environment_check import check_environment
@@ -254,18 +277,10 @@ def main():
         print_status("传入了sk参数，优先采用传入参数！", "info")
     BasicConfig.working_dir = working_dir
 
-    # 显示启动横幅
-    print_unilab_banner(args_dict)
+    workflow_upload = args_dict.get("command") in ("workflow_upload", "wf")
 
-    #####################################
-    ######## 启动设备接入端(主入口) ########
-    #####################################
-    launch(args_dict)
-
-
-def launch(args_dict: Dict[str, Any]):
     # 使用远程资源启动
-    if args_dict["use_remote_resource"]:
+    if not workflow_upload and args_dict["use_remote_resource"]:
         print_status("使用远程资源启动", "info")
         from unilabos.app.web import http_client
 
@@ -301,11 +316,36 @@ def launch(args_dict: Dict[str, Any]):
     from unilabos.resources.graphio import modify_to_backend_format
     from unilabos.ros.nodes.resource_tracker import ResourceTreeSet, ResourceDict
 
+    # 显示启动横幅
+    print_unilab_banner(args_dict)
+
     # 注册表
     lab_registry = build_registry(
-        args_dict["registry_path"], args_dict.get("complete_registry", False), args_dict["upload_registry"]
+        args_dict["registry_path"], args_dict.get("complete_registry", False), BasicConfig.upload_registry
     )
 
+    if BasicConfig.upload_registry:
+        # 设备注册到服务端 - 需要 ak 和 sk
+        if BasicConfig.ak and BasicConfig.sk:
+            print_status("开始注册设备到服务端...", "info")
+            try:
+                register_devices_and_resources(lab_registry)
+                print_status("设备注册完成", "info")
+            except Exception as e:
+                print_status(f"设备注册失败: {e}", "error")
+        else:
+            print_status("未提供 ak 和 sk，跳过设备注册", "info")
+    else:
+        print_status("本次启动注册表不报送云端，如果您需要联网调试，请在启动命令增加--upload_registry", "warning")
+
+    # 处理 workflow_upload 子命令
+    if workflow_upload:
+        from unilabos.workflow.wf_utils import handle_workflow_upload_command
+
+        handle_workflow_upload_command(args_dict)
+        print_status("工作流上传完成，程序退出", "info")
+        os._exit(0)
+
     if not BasicConfig.ak or not BasicConfig.sk:
         print_status("后续运行必须拥有一个实验室，请前往 https://uni-lab.bohrium.com 注册实验室！", "warning")
         os._exit(1)
@@ -382,20 +422,6 @@ def launch(args_dict: Dict[str, Any]):
     args_dict["devices_config"] = resource_tree_set
     args_dict["graph"] = graph_res.physical_setup_graph
 
-    if BasicConfig.upload_registry:
-        # 设备注册到服务端 - 需要 ak 和 sk
-        if BasicConfig.ak and BasicConfig.sk:
-            print_status("开始注册设备到服务端...", "info")
-            try:
-                register_devices_and_resources(lab_registry)
-                print_status("设备注册完成", "info")
-            except Exception as e:
-                print_status(f"设备注册失败: {e}", "error")
-        else:
-            print_status("未提供 ak 和 sk，跳过设备注册", "info")
-    else:
-        print_status("本次启动注册表不报送云端，如果您需要联网调试，请在启动命令增加--upload_registry", "warning")
-
     if args_dict["controllers"] is not None:
         args_dict["controllers_config"] = yaml.safe_load(open(args_dict["controllers"], encoding="utf-8"))
     else:
@@ -410,6 +436,7 @@ def launch(args_dict: Dict[str, Any]):
         comm_client = get_communication_client()
         if "websocket" in args_dict["app_bridges"]:
             args_dict["bridges"].append(comm_client)
+
             def _exit(signum, frame):
                 comm_client.stop()
                 sys.exit(0)
@@ -451,16 +478,13 @@ def launch(args_dict: Dict[str, Any]):
                 resource_visualization.start()
             except OSError as e:
                 if "AMENT_PREFIX_PATH" in str(e):
-                    print_status(
-                        f"ROS 2环境未正确设置，跳过3D可视化启动。错误详情: {e}",
-                        "warning"
-                    )
+                    print_status(f"ROS 2环境未正确设置，跳过3D可视化启动。错误详情: {e}", "warning")
                     print_status(
                         "建议解决方案：\n"
                         "1. 激活Conda环境: conda activate unilab\n"
                         "2. 或使用 --backend simple 参数\n"
                         "3. 或使用 --visual disable 参数禁用可视化",
-                        "info"
+                        "info",
                     )
                 else:
                     raise