From 71f291832fd0246f9a090833cb2dc4b521d4cde2 Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Tue, 19 Dec 2023 01:56:08 -0500
Subject: [PATCH] move to ruff formatter (#181)

See https://astral.sh/blog/the-ruff-formatter.

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
---
 .pre-commit-config.yaml                            | 7 ++++---
 dpgen2/entrypoint/submit.py                        | 1 -
 dpgen2/exploration/deviation/deviation_manager.py  | 1 +
 dpgen2/exploration/task/lmp_template_task_group.py | 5 ++++-
 dpgen2/exploration/task/npt_task_group.py          | 5 ++++-
 tests/op/test_prep_dp_train.py                     | 3 ---
 6 files changed, 13 insertions(+), 9 deletions(-)

diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index f016f4b6..a96c7d1d 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -15,10 +15,11 @@ repos:
     -   id: check-symlinks
     -   id: check-toml
 # Python
--   repo: https://github.com/psf/black
-    rev: 22.12.0
+-   repo: https://github.com/astral-sh/ruff-pre-commit
+    # Ruff version.
+    rev: v0.1.3
     hooks:
-    -   id: black-jupyter
+    - id: ruff-format
 -   repo: https://github.com/PyCQA/isort
     rev: 5.12.0
     hooks:
diff --git a/dpgen2/entrypoint/submit.py b/dpgen2/entrypoint/submit.py
index 997c76bc..8b2b2a63 100644
--- a/dpgen2/entrypoint/submit.py
+++ b/dpgen2/entrypoint/submit.py
@@ -457,7 +457,6 @@ def workflow_concurrent_learning(
     )
 
     if config["inputs"].get("do_finetune", False):
-
         finetune_step = make_finetune_step(
             config,
             prep_train_config,
diff --git a/dpgen2/exploration/deviation/deviation_manager.py b/dpgen2/exploration/deviation/deviation_manager.py
index b16f91e5..cbc227c5 100644
--- a/dpgen2/exploration/deviation/deviation_manager.py
+++ b/dpgen2/exploration/deviation/deviation_manager.py
@@ -12,6 +12,7 @@
 
 class DeviManager(ABC):
     r"""A class for model deviation management."""
+
     MAX_DEVI_V = "max_devi_v"
     MIN_DEVI_V = "min_devi_v"
     AVG_DEVI_V = "avg_devi_v"
diff --git a/dpgen2/exploration/task/lmp_template_task_group.py b/dpgen2/exploration/task/lmp_template_task_group.py
index 7aba601d..2c1aefda 100644
--- a/dpgen2/exploration/task/lmp_template_task_group.py
+++ b/dpgen2/exploration/task/lmp_template_task_group.py
@@ -110,7 +110,10 @@ def _make_lmp_task(
         plm_cont: Optional[str] = None,
     ) -> ExplorationTask:
         task = ExplorationTask()
-        task.add_file(lmp_conf_name, conf,).add_file(
+        task.add_file(
+            lmp_conf_name,
+            conf,
+        ).add_file(
             lmp_input_name,
             lmp_cont,
         )
diff --git a/dpgen2/exploration/task/npt_task_group.py b/dpgen2/exploration/task/npt_task_group.py
index d16ebaea..e90ee5e8 100644
--- a/dpgen2/exploration/task/npt_task_group.py
+++ b/dpgen2/exploration/task/npt_task_group.py
@@ -106,7 +106,10 @@ def _make_lmp_task(
         pp: Optional[float],
     ) -> ExplorationTask:
         task = ExplorationTask()
-        task.add_file(lmp_conf_name, conf,).add_file(
+        task.add_file(
+            lmp_conf_name,
+            conf,
+        ).add_file(
             lmp_input_name,
             make_lmp_input(
                 lmp_conf_name,
diff --git a/tests/op/test_prep_dp_train.py b/tests/op/test_prep_dp_train.py
index acd0371d..a41f6415 100644
--- a/tests/op/test_prep_dp_train.py
+++ b/tests/op/test_prep_dp_train.py
@@ -111,7 +111,6 @@ def test_template_str_hybrid(self):
                 self.assertEqual(jdata["training"]["seed"], 4 * ii + 3)
 
     def test_template_str_se_e2_a(self):
-
         ip = OPIO(
             {
                 "template_script": template_script_se_e2_a,
@@ -133,7 +132,6 @@ def test_template_str_se_e2_a(self):
                 self.assertEqual(jdata["training"]["seed"], 3 * ii + 2)
 
     def test_template_list_hyb_sea(self):
-
         ip = OPIO(
             {
                 "template_script": [template_script_hybrid, template_script_se_e2_a],
@@ -166,7 +164,6 @@ def test_template_list_hyb_sea(self):
             self.assertEqual(jdata["training"]["seed"], 4 * ii + 2)
 
     def test_template_raise_wrong_list_length(self):
-
         ip = OPIO(
             {
                 "template_script": [