drop black for ruff-format

materialsproject · Nov 2, 2023 · d43920d · d43920d
1 parent 3ad487a
commit d43920d
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Showing 4 changed files with 6 additions and 18 deletions.
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -8,10 +8,11 @@ ci:
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.0.292
+    rev: v0.1.3
     hooks:
       - id: ruff
         args: [--fix, --ignore, D]
+      - id: ruff-format
 
   - repo: https://github.com/pre-commit/pre-commit-hooks
     rev: v4.5.0
@@ -21,13 +22,8 @@ repos:
       - id: end-of-file-fixer
       - id: trailing-whitespace
 
-  - repo: https://github.com/psf/black
-    rev: 23.9.1
-    hooks:
-      - id: black
-
   - repo: https://github.com/pre-commit/mirrors-mypy
-    rev: v1.5.1
+    rev: v1.6.1
     hooks:
       - id: mypy
         additional_dependencies: [types-requests]

diff --git a/custodian/qchem/handlers.py b/custodian/qchem/handlers.py
@@ -126,9 +126,7 @@ def correct(self):
             elif int(self.qcinp.rem.get("geom_opt_max_cycles", 50)) < self.geom_max_cycles:
                 self.qcinp.rem["geom_opt_max_cycles"] = self.geom_max_cycles
                 if str(self.qcinp.rem.get("geom_opt2", "none")) == "3" or self.outdata["version"] == "6":
-                    self.qcinp.geom_opt[  # pylint: disable=unsupported-assignment-operation
-                        "maxiter"
-                    ] = self.geom_max_cycles
+                    self.qcinp.geom_opt["maxiter"] = self.geom_max_cycles  # pylint: disable=unsupported-assignment-operation
                 actions.append({"geom_max_cycles:": self.geom_max_cycles})
                 if "molecule_from_last_geometry" in self.outdata:
                     self.qcinp.molecule = self.outdata.get("molecule_from_last_geometry")
@@ -194,9 +192,7 @@ def correct(self):
 
             elif self.outdata["version"] == "6" and self.qcinp.rem.get("geom_opt_driver", "libopt3") != "optimize":
                 if self.qcinp.geom_opt["coordinates"] == "redundant":
-                    self.qcinp.geom_opt[  # pylint: disable=unsupported-assignment-operation
-                        "coordinates"
-                    ] = "delocalized"
+                    self.qcinp.geom_opt["coordinates"] = "delocalized"  # pylint: disable=unsupported-assignment-operation
                     actions.append({"coordinates": "delocalized"})
                     if self.qcinp.geom_opt.get("initial_hessian", "none") != "read":
                         self.qcinp.geom_opt["initial_hessian"] = "model"

diff --git a/pyproject.toml b/pyproject.toml
@@ -1,6 +1,3 @@
-[tool.black]
-line-length = 120
-
 [tool.ruff]
 target-version = "py38"
 line-length = 120
@@ -71,7 +68,7 @@ no_implicit_optional = false
 
 [tool.codespell]
 ignore-words-list = "ot,atomate"
-
+check-filenames = true
 
 [tool.coverage.run]
 relative_files = true

diff --git a/setup.py b/setup.py
@@ -16,7 +16,6 @@
     extras_require={
         "vasp, nwchem, qchem": ["pymatgen>=2019.8.23"],
         "dev": [
-            "black",
             "mypy",
             "pre-commit",
             "pytest-cov",