diff --git a/jdftxcov.xml b/jdftxcov.xml deleted file mode 100644 index b9493f99..00000000 --- a/jdftxcov.xml +++ /dev/null @@ -1,64 +0,0 @@ - - - - - - src/custodian/jdftx - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - diff --git a/src/custodian/jdftx/jobs.py b/src/custodian/jdftx/jobs.py index fe9e19bf..81e21faa 100644 --- 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 index 85ca6426..a94957c2 100644 --- 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: """