.

python/src/apbs_binary/executable.py

@@ -4,6 +4,7 @@
 import platform
 import subprocess
 import sys
+from copy import deepcopy
 from pathlib import Path
 from typing import Any, Literal, overload
 
@@ -66,19 +67,24 @@ def process_run(
 ) -> int | subprocess.CompletedProcess[str | bytes]:
     # if mac arm64, set DYLD_LIBRARY_PATH
     if sys.platform == "darwin":
-        my_env = os.environ.copy()
-        my_env["DYLD_LIBRARY_PATH"] = str(LIB_DIR)
+        my_env: dict[str, str]
+        if kwargs.get("env") is not None:
+            my_env = deepcopy(kwargs["env"])
+            my_env["DYLD_LIBRARY_PATH"] = str(LIB_DIR)
+        else:
+            my_env = os.environ.copy()
+            my_env["DYLD_LIBRARY_PATH"] = str(LIB_DIR)
         complete_process = subprocess.run(
             [bin_path(bin_name), *args], env=my_env, **kwargs
         )
-    elif os.name == "nt":
-        # dll files are together with the binaries.
-        # so we need to add the directory to PATH
-        my_env = os.environ.copy()
-        my_env["PATH"] = f"{BIN_DIR!s};{my_env['PATH']}"
-        complete_process = subprocess.run(
-            [bin_path(bin_name), *args], env=my_env, shell=True, **kwargs
-        )
+    # elif os.name == "nt":
+    #     # dll files are together with the binaries.
+    #     # so we need to add the directory to PATH
+    #     my_env = os.environ.copy()
+    #     my_env["PATH"] = f"{BIN_DIR!s};{my_env['PATH']}"
+    #     complete_process = subprocess.run(
+    #         [bin_path(bin_name), *args], env=my_env, shell=True, **kwargs
+    #     )
     else:
         complete_process = subprocess.run([bin_path(bin_name), *args], **kwargs)
 

tests/test_wheel.py

@@ -1,3 +1,4 @@
+import os
 from collections.abc import Callable
 from pathlib import Path
 
@@ -10,6 +11,29 @@
     process_run,
 )
 
+RETURN_CODE_NO_ARGS = (
+    [
+        ("apbs", 13),
+        ("multivalue", 1),
+        ("analysis", 2),
+        ("benchmark", 12),
+        ("born", 154),
+        ("coulomb", 154),
+        ("del2dx", 1),
+        ("dx2mol", 1),
+        ("dx2uhbd", 1),
+        ("dxmath", 13),
+        ("mergedx", 255),
+        ("mergedx2", 1),
+        ("mgmesh", 0),
+        ("similarity", 2),
+        ("smooth", 2),
+        ("tensor2dx", 255),
+        ("uhbd_asc2bin", -11),
+        ("value", 2),
+    ],
+)
+
 
 @pytest.mark.parametrize(
     "bin_path",
@@ -56,32 +80,27 @@ def test_execute_noarg(func: Callable, expected_return_code: int):
 
 @pytest.mark.parametrize(
     ("bin_name", "expected_return_code"),
-    [
-        ("apbs", 13),
-        ("multivalue", 1),
-        ("analysis", 2),
-        ("benchmark", 12),
-        ("born", 154),
-        ("coulomb", 154),
-        ("del2dx", 1),
-        ("dx2mol", 1),
-        ("dx2uhbd", 1),
-        ("dxmath", 13),
-        ("mergedx", 255),
-        ("mergedx2", 1),
-        ("mgmesh", 0),
-        ("similarity", 2),
-        ("smooth", 2),
-        ("tensor2dx", 255),
-        ("uhbd_asc2bin", -11),
-        ("value", 2),
-    ],
+    RETURN_CODE_NO_ARGS,
 )
 def test_process_run_noarg(bin_name: str, expected_return_code: int):
     return_code = process_run(bin_name)
     assert return_code == expected_return_code
 
 
+@pytest.mark.parametrize(
+    ("bin_name", "expected_return_code"),
+    RETURN_CODE_NO_ARGS,
+)
+def test_process_run_noarg_with_env(bin_name: str, expected_return_code: int):
+    """
+    In macOS, the env variable `DYLD_LIBRARY_PATH` is required to run the binaries. Thus, we check if custom env settings still respect this.
+    """
+    my_env = os.environ.copy()
+    my_env["PATH"] = "/usr/local/bin"  # dummy change. Not important
+    return_code = process_run(bin_name, env=my_env)
+    assert return_code == expected_return_code
+
+
 @pytest.mark.parametrize(
     ("func", "line_number", "line_match"),
     [