parallalization utilities added

quacc/__init__.py

@@ -3,3 +3,8 @@ import quacc.error as error
 import quacc.logger as logger
 import quacc.plot as plot
 import quacc.utils as utils
+from quacc.environment import env
+
+
+def _get_njobs(n_jobs):
+    return env.N_JOBS if n_jobs is None else n_jobs

quacc/utils.py

@@ -1,10 +1,12 @@
 import functools
 import os
 import shutil
+from contextlib import ExitStack
 from pathlib import Path
 from urllib.request import urlretrieve
 
 import pandas as pd
+from joblib import Parallel, delayed
 from tqdm import tqdm
 
 from quacc.environment import env
@@ -73,3 +75,18 @@ def download_file(url: str, downloaded_path: Path):
         desc=downloaded_path.name,
     ) as t:
         urlretrieve(url, filename=downloaded_path, reporthook=t.update_to)
+
+
+def parallel(func, args, n_jobs, seed=None):
+    """
+    A wrapper of multiprocessing:
+
+    >>> Parallel(n_jobs=n_jobs)(
+    >>>      delayed(func)(args_i) for args_i in args
+    >>> )
+
+    that takes the `quapy.environ` variable as input silently.
+    Seeds the child processes to ensure reproducibility when n_jobs>1
+    """
+
+    return Parallel(n_jobs=n_jobs, verbose=1)(delayed(func)(_args) for _args in args)