[pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

Dockerfile

@@ -119,7 +119,7 @@ USER root
 RUN apt-get update --yes && \
     apt-get install --yes --no-install-recommends bc && \
     apt-get clean && rm -rf /var/lib/apt/lists/*
-    
+
 COPY ./before-notebook.d/* /usr/local/bin/before-notebook.d/
 
 # Remove content of $HOME

before-notebook.d/41_setup-hq-computer.sh

@@ -21,7 +21,7 @@ else
       --transport core.local                                          \
       --scheduler hyperqueue                                          \
       --work-dir /home/${NB_USER}/aiida_run/                          \
-      --mpirun-command "mpirun -np {tot_num_mpiprocs}" 
+      --mpirun-command "mpirun -np {tot_num_mpiprocs}"
 
     verdi computer configure core.local "${HQ_COMPUTER}"              \
       --non-interactive                                               \

before-notebook.d/42_start-hq.sh

@@ -32,4 +32,3 @@ fi
 # Start hq server with a worker
 run-one-constantly hq server start 1>$HOME/.hq-stdout 2>$HOME/.hq-stderr &
 run-one-constantly hq worker start --cpus=${CPU_LIMIT} --resource "mem=sum(${MEMORY_LIMIT})" --no-detect-resources &
-

src/aiidalab_qe/common/setup_codes.py

@@ -151,7 +151,9 @@ def setup_codes(computer):
     try:
         subprocess.run(["python", "-c", python_code], capture_output=True, check=True)
     except subprocess.CalledProcessError as err:
-        raise RuntimeError(f"Failed to setup codes, exit_code={err.returncode}, {err.stderr}") from None
+        raise RuntimeError(
+            f"Failed to setup codes, exit_code={err.returncode}, {err.stderr}"
+        ) from None
 
 
 def install_and_setup(computer="localhost", force=False):
@@ -236,7 +238,9 @@ def _setup(computer):
                     ["python", "-c", python_code], capture_output=True, check=True
                 )
             except subprocess.CalledProcessError as err:
-                raise RuntimeError(f"Failed to setup codes, exit_code={err.returncode}, {err.stderr}") from None
+                raise RuntimeError(
+                    f"Failed to setup codes, exit_code={err.returncode}, {err.stderr}"
+                ) from None
 
     except Timeout:
         # Assume that the installation was triggered by a different process.