switch to existing gzip_files function

materialsproject · Aug 15, 2023 · 5711de0 · 5711de0
1 parent 4bcee34
commit 5711de0
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Showing 3 changed files with 5 additions and 43 deletions.
diff --git a/src/atomate2/utils/shutil.py b/src/atomate2/utils/shutil.py
diff --git a/src/atomate2/vasp/jobs/base.py b/src/atomate2/vasp/jobs/base.py
@@ -10,7 +10,6 @@
 from emmet.core.tasks import TaskDoc
 from jobflow import Maker, Response, job
 from monty.serialization import dumpfn
-from monty.shutil import gzip_dir
 from pymatgen.core.trajectory import Trajectory
 from pymatgen.electronic_structure.bandstructure import (
     BandStructure,
@@ -20,7 +19,7 @@
 from pymatgen.io.vasp import Chgcar, Locpot, Wavecar
 
 from atomate2 import SETTINGS
-from atomate2.utils.shutil import gzip_files
+from atomate2.common.files import gzip_files
 from atomate2.vasp.files import copy_vasp_outputs, write_vasp_input_set
 from atomate2.vasp.run import run_vasp, should_stop_children
 from atomate2.vasp.sets.base import VaspInputGenerator
@@ -223,9 +222,9 @@ def make(self, structure: Structure, prev_vasp_dir: str | Path | None = None):
 
         # gzip folder
         if SETTINGS.VASP_ZIP_FILES == "atomate":
-            gzip_files(_FILES_TO_ZIP)
+            gzip_files(include_files=_FILES_TO_ZIP, allow_missing=True, force=True)
         elif SETTINGS.VASP_ZIP_FILES:
-            gzip_dir(".")
+            gzip_files(force=True)
 
         return Response(
             stop_children=stop_children,

diff --git a/tests/vasp/conftest.py b/tests/vasp/conftest.py
@@ -34,8 +34,8 @@ def mock_vasp(monkeypatch, vasp_test_dir):
     reference files will be copied into the directory instead. As we do not want to
     test whether VASP is giving the correct output rather that the calculation inputs
     are generated correctly and that the outputs are parsed properly, this should be
-    sufficient for our needs. An other potential issue is that the POTCAR files
-    distribute with VASP are not present on the testing server due to licensing
+    sufficient for our needs. Another potential issue is that the POTCAR files
+    distributed with VASP are not present on the testing server due to licensing
     constraints. Accordingly, VaspInputSet.write_inputs will fail unless the
     "potcar_spec" option is set to True, in which case a POTCAR.spec file will be
     written instead. This fixture solves both of these issues.