add jenkins.sh

jenkins.sh

+#!/bin/bash
+
+pip install -r test_requirements.txt
+
+set -e
+
+source /opt/dtk/env.sh
+source /usr/local/bin/fastpt -C
+
+echo "开始编译组件torchani"
+python3 setup.py -v bdist_wheel --cuaev
+echo "组件torchani编译完成"
+
+ls dist/
+pip install dist/torchani*.whl
+pip install dist/torchani*.whl --force-reinstall --no-deps
+
+echo "组件torchani安装完成"
+
+
+echo "开始torchani单元测试"
+if command -v pytest &> /dev/null; then
+    echo "pytest 已安装，版本: $(pytest --version)"
+    # 跳过安装
+else
+    echo "pytest 未安装，正在安装..."
+    # 使用 pip 安装 (最常见)
+    pip install pytest
+fi
+
+pytest -vs ./tests
+