Merge pull request #2 from soge8904/jdftx

Merge into main
materialsproject · Oct 16, 2024 · 8202dbd · 8202dbd
2 parents b69cacb + 13a42b0
commit 8202dbd
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Showing 3 changed files with 6 additions and 69 deletions.
diff --git a/jdftxcov.xml b/jdftxcov.xml
diff --git a/src/custodian/jdftx/jobs.py b/src/custodian/jdftx/jobs.py
@@ -56,7 +56,7 @@ def run(self, directory="./"):
         ):
             # use line buffering for stderr
             return subprocess.run(
-                shlex.split(),
+                shlex.split(cmd),
                 cwd=directory,
                 stdout=f_std,
                 stderr=f_err,

diff --git a/src/custodian/vasp/jobs.py b/src/custodian/vasp/jobs.py
@@ -268,11 +268,12 @@ def run(self, directory="./"):
                     cmd[-1] += ".gamma"
         logger.info(f"Running {' '.join(cmd)}")
         with (
-            open(os.path.join(directory, self.output_file), "w"),
-            open(os.path.join(directory, self.stderr_file), "w", buffering=1),
+            open(os.path.join(directory, self.output_file), "w") as f_std,
+            open(os.path.join(directory, self.stderr_file), "w", buffering=1) as f_err,
         ):
-            # use line buffering for stderrsubprocess.Popen(cmd, cwd=directory, stdout=f_std, stderr=f_err, start_new_session=True)
-            return  # pylint: disable=R1732
+            # use line buffering for stderr
+            return subprocess.Popen(cmd, cwd=directory, stdout=f_std, stderr=f_err, start_new_session=True)
+            # pylint: disable=R1732
 
     def postprocess(self, directory="./") -> None:
         """