add function to check for existence of gzipped file during test

tests/conftest.py

@@ -4,6 +4,7 @@
 import os
 
 import pytest
+from shutil import copyfileobj
 
 TEST_DIR = os.path.dirname(__file__)
 TEST_FILES = f"{TEST_DIR}/files"
@@ -13,3 +14,25 @@
 def _patch_get_potential_energy(monkeypatch) -> None:
     """Monkeypatch the multiprocessing.cpu_count() function to always return 64."""
     monkeypatch.setattr(multiprocessing, "cpu_count", lambda: 64)
+
+def get_gzip_or_unzipped(test_file_or_dir : str) -> str:
+    """ 
+    Return the file or its unzipped version, depending on which one exists.
+
+    Running pytest in CI seems to unzip the test files prior to testing.
+    To get around this behavior, we return the whichever file exists,
+    its gzipped version or the unzipped version.
+    
+    Args:
+        test_file_or_dir (str) : the name of the test file or directory
+    Returns:
+        The file with or without a .gz/.GZ extension if any exist, or the
+        unmodified path to the directory.
+    """
+    if os.path.isdir(test_file_or_dir):
+        return test_file_or_dir
+
+    for file_to_test in [test_file_or_dir, test_file_or_dir.split(".gz")[0], test_file_or_dir.split(".GZ")[0]]:
+        if os.path.isfile(file_to_test):
+            return file_to_test
+    raise FileNotFoundError(f"Cannot find {test_file_or_dir}")

tests/vasp/test_handlers.py

@@ -28,7 +28,7 @@
     VaspErrorHandler,
     WalltimeHandler,
 )
-from tests.conftest import TEST_FILES
+from tests.conftest import TEST_FILES, get_gzip_or_unzipped
 
 __author__ = "Shyue Ping Ong, Stephen Dacek, Janosh Riebesell"
 __copyright__ = "Copyright 2012, The Materials Project"
@@ -51,7 +51,7 @@ def _clear_tracked_cache() -> None:
 
 def copy_tmp_files(tmp_path: str, *file_paths: str) -> None:
     for file_path in file_paths:
-        src_path = f"{TEST_FILES}/{file_path}"
+        src_path = get_gzip_or_unzipped(f"{TEST_FILES}/{file_path}")
         dst_path = f"{tmp_path}/{os.path.basename(file_path)}"
         if os.path.isdir(src_path):
             shutil.copytree(src_path, dst_path)

tests/vasp/test_io.py

@@ -2,7 +2,7 @@
 
 from custodian.utils import tracked_lru_cache
 from custodian.vasp.io import load_outcar, load_vasprun
-from tests.conftest import TEST_FILES
+from tests.conftest import TEST_FILES, get_gzip_or_unzipped
 
 
 @pytest.fixture(autouse=True)
@@ -15,18 +15,20 @@ def _clear_tracked_cache() -> None:
 
 class TestIO:
     def test_load_outcar(self) -> None:
-        outcar = load_outcar(f"{TEST_FILES}/io/OUTCAR.gz")
+        outcar_file = get_gzip_or_unzipped(f"{TEST_FILES}/io/OUTCAR.gz")
+        outcar = load_outcar(outcar_file)
         assert outcar is not None
-        outcar2 = load_outcar(f"{TEST_FILES}/io/OUTCAR.gz")
+        outcar2 = load_outcar(outcar_file)
 
         assert outcar is outcar2
 
         assert len(tracked_lru_cache.cached_functions) == 1
 
     def test_load_vasprun(self) -> None:
-        vr = load_vasprun(f"{TEST_FILES}/io/vasprun.xml.gz")
+        vasprun_file = get_gzip_or_unzipped(f"{TEST_FILES}/io/vasprun.xml.gz")
+        vr = load_vasprun(vasprun_file)
         assert vr is not None
-        vr2 = load_vasprun(f"{TEST_FILES}/io/vasprun.xml.gz")
+        vr2 = load_vasprun(vasprun_file)
 
         assert vr is vr2