Change maximum number of threads so no memory issues

Author: RobbinBouwmeester

CHANGELOG.md

@@ -5,6 +5,10 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 and this project adheres to
 [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
+# [2.2.26] - 2023-11-15
+
+- Fix memory usage, limit threads
+
 # [2.2.25] - 2023-11-15
 
 - Fixed multiprocessing

deeplc/deeplc.py

@@ -249,10 +249,12 @@ def __init__(
         self.n_jobs = n_jobs
 
         max_threads = multiprocessing.cpu_count()
+        # Hard limit the number of threads if not provided as
+        # most times it will run into a memory issue otherwise
         if not self.n_jobs:
-            self.n_jobs = max_threads
+            self.n_jobs = int(max_threads / 5.0) + 1
         elif self.n_jobs > max_threads:
-            self.n_jobs = max_threads
+            self.n_jobs = int(max_threads / 5.0) + 1
 
         self.use_library = use_library
         self.write_library = write_library

setup.py

@@ -6,7 +6,7 @@
 
 setup(
     name="deeplc",
-    version="2.2.25",
+    version="2.2.26",
     license="apache-2.0",
     description="DeepLC: Retention time prediction for (modified) peptides using Deep Learning.",
     long_description=LONG_DESCRIPTION,