feat: 新增科研软件 benchmark 任务数据

- 新增 avogadro/imagej/jade/origin/ovito/pymol/vesta 等科研软件任务 JSON
- 修改 vllm_eval.py，修改图片文件名称为第x步
- desktop_env.py 添加额外数据参数 config 和 metadata

evaluation_examples/examples/jade/MDIJade6.5使用手册_task1.json

@@ -0,0 +1,46 @@
+{
+  "id": "MDIJade6.5使用手册_task1",
+  "snapshot": "jade",
+  "instruction": "在 MDI Jade 中通过菜单 File → Patterns 加载衍射数据文件 DEMO001.MDI。",
+  "source": "custom",
+  "config": [
+    {
+      "type": "launch",
+      "parameters": {
+        "command": [
+          "C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
+        ]
+      }
+    },
+    {
+      "type": "sleep",
+      "parameters": {
+        "seconds": 5
+      }
+    }
+  ],
+  "trajectory": "trajectories/",
+  "related_apps": [
+    "jade"
+  ],
+  "evaluator": {
+    "postconfig": [
+      {
+        "type": "sleep",
+        "parameters": {
+          "seconds": 3
+        }
+      }
+    ],
+    "func": "vllm_eval"
+  },
+  "proxy": false,
+  "fixed_ip": false,
+  "possibility_of_env_change": "low",
+  "metadata": {
+    "input_files": [
+      "DEMO001.MDI"
+    ],
+    "steps": "1. 在桌面找到 MDI Jade 图标，双击打开软件。\n2. 点击菜单 File → Patterns。\n3. 在弹出的对话框中选择 DEMO001.MDI 并点击 Open。"
+  }
+}

evaluation_examples/examples/jade/MDIJade6.5使用手册_task10.json

@@ -0,0 +1,44 @@
+{
+  "id": "MDIJade6.5使用手册_task10",
+  "snapshot": "jade",
+  "instruction": "从菜单 Options → Cell Refinement 打开晶胞点阵参数对话框并精修点阵常数。",
+  "source": "custom",
+  "config": [
+    {
+      "type": "launch",
+      "parameters": {
+        "command": [
+          "C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
+        ]
+      }
+    },
+    {
+      "type": "sleep",
+      "parameters": {
+        "seconds": 5
+      }
+    }
+  ],
+  "trajectory": "trajectories/",
+  "related_apps": [
+    "jade"
+  ],
+  "evaluator": {
+    "postconfig": [
+      {
+        "type": "sleep",
+        "parameters": {
+          "seconds": 3
+        }
+      }
+    ],
+    "func": "vllm_eval"
+  },
+  "proxy": false,
+  "fixed_ip": false,
+  "possibility_of_env_change": "low",
+  "metadata": {
+    "input_files": [],
+    "steps": "1. 点击菜单 Options → Cell Refinement。\n2. 在弹出的对话框中检查点阵参数。\n3. 点击 Refine 按钮进行精修。\n4. 检查精修结果并保存。"
+  }
+}

evaluation_examples/examples/jade/MDIJade6.5使用手册_task2.json

@@ -0,0 +1,44 @@
+{
+  "id": "MDIJade6.5使用手册_task2",
+  "snapshot": "jade",
+  "instruction": "在 JADE 中将当前打开的衍射图谱通过 File → Save-Primary Pattern as *.txt 导出为 ASCII 格式，保存为 DEMO001.txt。",
+  "source": "custom",
+  "config": [
+    {
+      "type": "launch",
+      "parameters": {
+        "command": [
+          "C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
+        ]
+      }
+    },
+    {
+      "type": "sleep",
+      "parameters": {
+        "seconds": 5
+      }
+    }
+  ],
+  "trajectory": "trajectories/",
+  "related_apps": [
+    "jade"
+  ],
+  "evaluator": {
+    "postconfig": [
+      {
+        "type": "sleep",
+        "parameters": {
+          "seconds": 3
+        }
+      }
+    ],
+    "func": "vllm_eval"
+  },
+  "proxy": false,
+  "fixed_ip": false,
+  "possibility_of_env_change": "low",
+  "metadata": {
+    "input_files": [],
+    "steps": "1. 点击菜单 File → Save-Primary Pattern as *.txt。\n2. 在弹出的保存对话框中，设置文件名为 DEMO001.txt。\n3. 点击 Save 按钮保存文件。"
+  }
+}

evaluation_examples/examples/jade/MDIJade6.5使用手册_task3.json

@@ -0,0 +1,44 @@
+{
+  "id": "MDIJade6.5使用手册_task3",
+  "snapshot": "jade",
+  "instruction": "使用 Search/Match 功能进行物相检索，并限制元素范围为 Al, Sn, O。",
+  "source": "custom",
+  "config": [
+    {
+      "type": "launch",
+      "parameters": {
+        "command": [
+          "C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
+        ]
+      }
+    },
+    {
+      "type": "sleep",
+      "parameters": {
+        "seconds": 5
+      }
+    }
+  ],
+  "trajectory": "trajectories/",
+  "related_apps": [
+    "jade"
+  ],
+  "evaluator": {
+    "postconfig": [
+      {
+        "type": "sleep",
+        "parameters": {
+          "seconds": 3
+        }
+      }
+    ],
+    "func": "vllm_eval"
+  },
+  "proxy": false,
+  "fixed_ip": false,
+  "possibility_of_env_change": "low",
+  "metadata": {
+    "input_files": [],
+    "steps": "1. 点击菜单 S/M 按钮。\n2. 在 Search/Match 对话框中勾选 Use Chemistry Filter。\n3. 输入限定元素 Al, Sn, O，点击 OK。\n4. 等待物相检索完成，检查结果列表。"
+  }
+}

evaluation_examples/examples/jade/MDIJade6.5使用手册_task4.json

@@ -0,0 +1,44 @@
+{
+  "id": "MDIJade6.5使用手册_task4",
+  "snapshot": "jade",
+  "instruction": "在 JADE 中通过 Options → Report-Peak ID Extended 计算 RIR 方法的物相质量分数，并保存结果为 PDF 格式。",
+  "source": "custom",
+  "config": [
+    {
+      "type": "launch",
+      "parameters": {
+        "command": [
+          "C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
+        ]
+      }
+    },
+    {
+      "type": "sleep",
+      "parameters": {
+        "seconds": 5
+      }
+    }
+  ],
+  "trajectory": "trajectories/",
+  "related_apps": [
+    "jade"
+  ],
+  "evaluator": {
+    "postconfig": [
+      {
+        "type": "sleep",
+        "parameters": {
+          "seconds": 3
+        }
+      }
+    ],
+    "func": "vllm_eval"
+  },
+  "proxy": false,
+  "fixed_ip": false,
+  "possibility_of_env_change": "low",
+  "metadata": {
+    "input_files": [],
+    "steps": "1. 打开菜单 Options → Report-Peak ID Extended。\n2. 确认结果数据，确保内容显示完整。\n3. 点击 Save，选择文件类型为 PDF。\n4. 输入文件名并点击保存。"
+  }
+}

evaluation_examples/examples/jade/MDIJade6.5使用手册_task5.json

@@ -0,0 +1,44 @@
+{
+  "id": "MDIJade6.5使用手册_task5",
+  "snapshot": "jade",
+  "instruction": "通过 Report → Peak Search Report 菜单计算晶粒大小及微观应变，设置 D 值为 1。",
+  "source": "custom",
+  "config": [
+    {
+      "type": "launch",
+      "parameters": {
+        "command": [
+          "C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
+        ]
+      }
+    },
+    {
+      "type": "sleep",
+      "parameters": {
+        "seconds": 5
+      }
+    }
+  ],
+  "trajectory": "trajectories/",
+  "related_apps": [
+    "jade"
+  ],
+  "evaluator": {
+    "postconfig": [
+      {
+        "type": "sleep",
+        "parameters": {
+          "seconds": 3
+        }
+      }
+    ],
+    "func": "vllm_eval"
+  },
+  "proxy": false,
+  "fixed_ip": false,
+  "possibility_of_env_change": "low",
+  "metadata": {
+    "input_files": [],
+    "steps": "1. 点击菜单 Report → Peak Search Report。\n2. 在弹出的对话框中选择 Size/strain 选项。\n3. 设置反卷积参数 D 值为 1。\n4. 点击 Save 按钮保存计算结果。"
+  }
+}

evaluation_examples/examples/jade/MDIJade6.5使用手册_task6.json

@@ -0,0 +1,44 @@
+{
+  "id": "MDIJade6.5使用手册_task6",
+  "snapshot": "jade",
+  "instruction": "通过 File → Save 菜单保存当前仪器半高宽校正曲线到 Si_hw_curve.fwhm。",
+  "source": "custom",
+  "config": [
+    {
+      "type": "launch",
+      "parameters": {
+        "command": [
+          "C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
+        ]
+      }
+    },
+    {
+      "type": "sleep",
+      "parameters": {
+        "seconds": 5
+      }
+    }
+  ],
+  "trajectory": "trajectories/",
+  "related_apps": [
+    "jade"
+  ],
+  "evaluator": {
+    "postconfig": [
+      {
+        "type": "sleep",
+        "parameters": {
+          "seconds": 3
+        }
+      }
+    ],
+    "func": "vllm_eval"
+  },
+  "proxy": false,
+  "fixed_ip": false,
+  "possibility_of_env_change": "low",
+  "metadata": {
+    "input_files": [],
+    "steps": "1. 点击菜单 File。\n2. 选择 Save → FWHM Curve of Peaks。\n3. 在保存对话框中输入文件名 Si_hw_curve.fwhm。\n4. 点击 Save 按钮完成保存。"
+  }
+}

evaluation_examples/examples/jade/MDIJade6.5使用手册_task7.json

@@ -0,0 +1,44 @@
+{
+  "id": "MDIJade6.5使用手册_task7",
+  "snapshot": "jade",
+  "instruction": "调用 Options → D-Spacing 菜单计算已知结构的衍射谱，加权强度公式为 Z = 12。",
+  "source": "custom",
+  "config": [
+    {
+      "type": "launch",
+      "parameters": {
+        "command": [
+          "C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
+        ]
+      }
+    },
+    {
+      "type": "sleep",
+      "parameters": {
+        "seconds": 5
+      }
+    }
+  ],
+  "trajectory": "trajectories/",
+  "related_apps": [
+    "jade"
+  ],
+  "evaluator": {
+    "postconfig": [
+      {
+        "type": "sleep",
+        "parameters": {
+          "seconds": 3
+        }
+      }
+    ],
+    "func": "vllm_eval"
+  },
+  "proxy": false,
+  "fixed_ip": false,
+  "possibility_of_env_change": "low",
+  "metadata": {
+    "input_files": [],
+    "steps": "1. 打开菜单 Options → D-Spacing。\n2. 在计算衍射谱对话框中，设置加权强度公式参数 Z 值为 12。\n3. 点击 Calculate 按钮以生成计算结果。\n4. 检查结果并关闭窗口。"
+  }
+}

evaluation_examples/examples/jade/MDIJade6.5使用手册_task8.json

@@ -0,0 +1,44 @@
+{
+  "id": "MDIJade6.5使用手册_task8",
+  "snapshot": "jade",
+  "instruction": "通过 Options → Calculate Stress 菜单计算残余应力，使用 Fit All 功能拟合曲线。",
+  "source": "custom",
+  "config": [
+    {
+      "type": "launch",
+      "parameters": {
+        "command": [
+          "C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
+        ]
+      }
+    },
+    {
+      "type": "sleep",
+      "parameters": {
+        "seconds": 5
+      }
+    }
+  ],
+  "trajectory": "trajectories/",
+  "related_apps": [
+    "jade"
+  ],
+  "evaluator": {
+    "postconfig": [
+      {
+        "type": "sleep",
+        "parameters": {
+          "seconds": 3
+        }
+      }
+    ],
+    "func": "vllm_eval"
+  },
+  "proxy": false,
+  "fixed_ip": false,
+  "possibility_of_env_change": "low",
+  "metadata": {
+    "input_files": [],
+    "steps": "1. 点击菜单 Options → Calculate Stress。\n2. 在弹出的对话框中，选择以 Fit All 功能拟合所有数据。\n3. 检查拟合结果图。\n4. 点击 Save 按钮以保存拟合结果文件。"
+  }
+}

evaluation_examples/examples/jade/jade_test.json

@@ -1,29 +0,0 @@
-{
- "id": "jade_test",
- "snapshot": "snapshot",
- "instruction": "请打开桌面上的 JADE 6.5 软件",
- "source": "custom",
- "config": [],
- "trajectory": "trajectories/",
- "related_apps": [
-   "jade"
- ],
- "evaluator": {
-   "postconfig": [
-     {
-       "type": "sleep",
-       "parameters": {
-         "seconds": 3
-       }
-     }
-   ],
-   "func": "vllm_eval",
-   "result": {
-     "type": "vm_command_line",
-     "command": "tasklist | findstr /i jade"
-   }
- },
- "proxy": false,
- "fixed_ip": false,
- "possibility_of_env_change": "low"
-}