diff --git a/custodian/vasp/jobs.py b/custodian/vasp/jobs.py index bf1fb76b..c0dc4c3e 100644 --- a/custodian/vasp/jobs.py +++ b/custodian/vasp/jobs.py @@ -246,7 +246,7 @@ def run(self): kpts = vi["KPOINTS"] if kpts is not None: if kpts.style == Kpoints.supported_modes.Gamma and tuple(kpts.kpts[0]) == (1, 1, 1): - if self.gamma_vasp_cmd is not None and which(self.gamma_vasp_cmd[-1]): + if self.gamma_vasp_cmd is not None and which(self.gamma_vasp_cmd[-1]): # pylint: disable=E1136 cmd = self.gamma_vasp_cmd elif which(cmd[-1] + ".gamma"): cmd[-1] += ".gamma" @@ -689,7 +689,8 @@ def terminate(self): continue logger.warning( - f"Killing VASP processes in workdir {workdir} failed with subprocess.Popen.terminate(). Resorting to 'killall'." + f"Killing VASP processes in workdir {workdir} failed with subprocess.Popen.terminate(). " + "Resorting to 'killall'." ) cmds = self.vasp_cmd if self.gamma_vasp_cmd: @@ -867,7 +868,7 @@ def run(self): 1, 1, ): - if self.gamma_vasp_cmd is not None and which(self.gamma_vasp_cmd[-1]): + if self.gamma_vasp_cmd is not None and which(self.gamma_vasp_cmd[-1]): # pylint: disable=E1136 cmd = self.gamma_vasp_cmd elif which(cmd[-1] + ".gamma"): cmd[-1] += ".gamma" diff --git a/pylintrc b/pylintrc index 4302ba98..c1ea3d7d 100644 --- a/pylintrc +++ b/pylintrc @@ -20,7 +20,7 @@ analyse-fallback-blocks=no # A comma-separated list of package or module names from where C extensions may # be loaded. Extensions are loading into the active Python interpreter and may # run arbitrary code. -extension-pkg-allow-list= +extension-pkg-allow-list=pymatgen # A comma-separated list of package or module names from where C extensions may # be loaded. Extensions are loading into the active Python interpreter and may @@ -45,7 +45,7 @@ ignore=CVS # Add files or directories matching the regex patterns to the ignore-list. The # regex matches against paths and can be in Posix or Windows format. -ignore-paths= +ignore-paths=.*tests.* # Files or directories matching the regex patterns are skipped. The regex # matches against base names, not paths. The default value ignores Emacs file