From e840f9b77674f6fafe4a3ecd84ca3396b4219aaa Mon Sep 17 00:00:00 2001 From: Victor Trinquet Date: Mon, 19 Feb 2024 17:27:50 +0100 Subject: [PATCH] linting + pass tests --- src/atomate2/abinit/jobs/base.py | 2 +- src/atomate2/abinit/run.py | 2 +- src/atomate2/cli/dev.py | 4 ++-- 3 files changed, 4 insertions(+), 4 deletions(-) diff --git a/src/atomate2/abinit/jobs/base.py b/src/atomate2/abinit/jobs/base.py index 48b7bafcd8..43c467a979 100644 --- a/src/atomate2/abinit/jobs/base.py +++ b/src/atomate2/abinit/jobs/base.py @@ -191,7 +191,7 @@ def make( if len(task_doc.event_report.filter_types(self.critical_events)) > 0: task_doc = task_doc.model_copy(update={"state": TaskState.UNCONVERGED}) task_doc.calcs_reversed[-1] = task_doc.calcs_reversed[-1].model_copy( - {"has_abinit_completed": TaskState.UNCONVERGED} + update={"has_abinit_completed": TaskState.UNCONVERGED} ) # optional I think return self.get_response( diff --git a/src/atomate2/abinit/run.py b/src/atomate2/abinit/run.py index 723926ccd4..4cb5384d98 100644 --- a/src/atomate2/abinit/run.py +++ b/src/atomate2/abinit/run.py @@ -49,7 +49,7 @@ def run_abinit( command.append(INPUT_FILE_NAME) with open(LOG_FILE_NAME, "w") as stdout, open(STDERR_FILE_NAME, "w") as stderr: - process = subprocess.Popen(command, stdout=stdout, stderr=stderr, shell=False) + process = subprocess.Popen(command, stdout=stdout, stderr=stderr) # noqa: S603 if wall_time is not None: while True: diff --git a/src/atomate2/cli/dev.py b/src/atomate2/cli/dev.py index 589a7f34d3..63cfad4013 100644 --- a/src/atomate2/cli/dev.py +++ b/src/atomate2/cli/dev.py @@ -582,13 +582,13 @@ def save_abinit_maker(maker: Maker) -> None: author_mail = None if git: name = subprocess.run( - "git config user.name".split(), + "git config user.name".split(), # noqa: S603 capture_output=True, encoding="utf-8", check=True, ) mail = subprocess.run( - "git config user.email".split(), + "git config user.email".split(), # noqa: S603 capture_output=True, encoding="utf-8", check=True,