test: disable pyabacus-dependent cases by default

Author: ErjieWu

pytest.ini

@@ -0,0 +1,3 @@
+[pytest]
+markers =
+    pyabacus: tests that require local pyabacus integration (disabled by default via ENABLE_PYABACUS_TESTS)

tests/README.md

@@ -50,3 +50,4 @@
 
 - `pyscf`、`abacus`、`pyabacus` 为可选依赖。
 - 若环境未安装，对应测试会自动 `skip`，不影响其余测试回归。
+- `pyabacus` 相关测试在仓库默认策略下也会被禁用；仅在显式设置 `ENABLE_PYABACUS_TESTS=1` 时启用。

tests/conftest.py

@@ -1,9 +1,11 @@
 """
 全局测试配置：
 - 固定随机种子，降低非确定性波动；
+- 默认关闭 `pyabacus` 相关测试（可通过环境变量显式开启）；
 - 作为后续共享 fixture 的统一入口。
 """
 
+import os
 import random
 
 import numpy as np
@@ -21,3 +23,13 @@ def _fixed_seed():
         torch.manual_seed(20260313)
     except Exception:
         pass
+
+
+def pytest_collection_modifyitems(config, items):
+    """默认跳过 pyabacus 相关测试，除非显式开启。"""
+    if os.getenv("ENABLE_PYABACUS_TESTS", "0") == "1":
+        return
+    skip_marker = pytest.mark.skip(reason="pyabacus tests are disabled by default in this repository")
+    for item in items:
+        if item.get_closest_marker("pyabacus"):
+            item.add_marker(skip_marker)

tests/integration/test_migrated_integral_samples.py

@@ -75,6 +75,7 @@ def test_migrated_integral_scf_placeholder_sample():
     assert "model_file" in cfg
 
 
+@pytest.mark.pyabacus
 def test_migrated_integral_train_sample_if_pyabacus(tmp_path):
     """
     依赖：`pyabacus`（可选）、`deepks.model.train.main` 与迁移样例 `train_input.yaml`。
@@ -95,6 +96,7 @@ def test_migrated_integral_train_sample_if_pyabacus(tmp_path):
     assert lines[-1].split()[-1] == "3.0845e-04"
 
 
+@pytest.mark.pyabacus
 def test_migrated_integral_test_sample_if_pyabacus(tmp_path):
     """
     依赖：`pyabacus`（可选）、`deepks.model.test.main` 与迁移样例 `test_input.yaml`。

tests/unit/test_evaluator_loss_switches.py

@@ -11,6 +11,7 @@
 import torch.nn as nn
 
 pytest.importorskip("pyabacus")
+pytestmark = pytest.mark.pyabacus
 
 from deepks.model.evaluator import Evaluator