From e5be5cbcf49f5b86c4d9edf54ee173994749c3fc Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Jan=20Jan=C3=9Fen?= Date: Wed, 30 Oct 2024 07:02:32 +0100 Subject: [PATCH 1/2] Rename decorator from @pyiron_job to @job A shorter decorator simplifies the workflow development. --- pyiron_base/__init__.py | 2 +- pyiron_base/project/decorator.py | 8 ++++---- tests/usecases/ADIS/notebook.ipynb | 8 ++++---- 3 files changed, 9 insertions(+), 9 deletions(-) diff --git a/pyiron_base/__init__.py b/pyiron_base/__init__.py index 2bab152cc..4febc03eb 100644 --- a/pyiron_base/__init__.py +++ b/pyiron_base/__init__.py @@ -29,7 +29,7 @@ from pyiron_base.jobs.master.interactivewrapper import InteractiveWrapper from pyiron_base.jobs.master.list import ListMaster from pyiron_base.jobs.master.parallel import JobGenerator, ParallelMaster -from pyiron_base.project.decorator import pyiron_job +from pyiron_base.project.decorator import job from pyiron_base.project.external import Notebook, dump, load from pyiron_base.project.generic import Creator, Project from pyiron_base.state import state diff --git a/pyiron_base/project/decorator.py b/pyiron_base/project/decorator.py index 6e67974fa..d4d62070c 100644 --- a/pyiron_base/project/decorator.py +++ b/pyiron_base/project/decorator.py @@ -6,7 +6,7 @@ # The combined decorator -def pyiron_job( +def job( funct: Optional[callable] = None, *, host: Optional[str] = None, @@ -38,13 +38,13 @@ def pyiron_job( callable: The decorated functions Example: - >>> from pyiron_base import pyiron_job, Project + >>> from pyiron_base import job, Project >>> - >>> @pyiron_job + >>> @job >>> def my_function_a(a, b=8): >>> return a + b >>> - >>> @pyiron_job(cores=2) + >>> @job(cores=2) >>> def my_function_b(a, b=8): >>> return a + b >>> diff --git a/tests/usecases/ADIS/notebook.ipynb b/tests/usecases/ADIS/notebook.ipynb index ab093fc08..11c0c8197 100644 --- a/tests/usecases/ADIS/notebook.ipynb +++ b/tests/usecases/ADIS/notebook.ipynb @@ -20,7 +20,7 @@ "from ase.build import bulk\n", "from ase.io import write\n", "from adis_tools.parsers import parse_pw\n", - "from pyiron_base import pyiron_job, Project" + "from pyiron_base import job, Project" ] }, { @@ -75,7 +75,7 @@ }, "outputs": [], "source": [ - "@pyiron_job(output_key_lst=[\"energy\", \"volume\", \"structure\"])\n", + "@job(output_key_lst=[\"energy\", \"volume\", \"structure\"])\n", "def calculate_qe(working_directory, input_dict):\n", " write_input(\n", " input_dict=input_dict,\n", @@ -102,7 +102,7 @@ }, "outputs": [], "source": [ - "@pyiron_job\n", + "@job\n", "def generate_structures(structure, strain_lst):\n", " structure_lst = []\n", " for strain in strain_lst:\n", @@ -122,7 +122,7 @@ }, "outputs": [], "source": [ - "@pyiron_job\n", + "@job\n", "def plot_energy_volume_curve(volume_lst, energy_lst):\n", " plt.plot(volume_lst, energy_lst)\n", " plt.xlabel(\"Volume\")\n", From 43bfd3d36b985fc10502b4037f29c31cf0347149 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 30 Oct 2024 09:07:54 +0100 Subject: [PATCH 2/2] Update test_decorator.py --- tests/unit/flex/test_decorator.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/tests/unit/flex/test_decorator.py b/tests/unit/flex/test_decorator.py index 9ecece73c..2db56c852 100644 --- a/tests/unit/flex/test_decorator.py +++ b/tests/unit/flex/test_decorator.py @@ -1,5 +1,5 @@ from pyiron_base._tests import TestWithProject -from pyiron_base import pyiron_job +from pyiron_base import job import unittest @@ -8,11 +8,11 @@ def tearDown(self): self.project.remove_jobs(recursive=True, silently=True) def test_delayed(self): - @pyiron_job() + @job() def my_function_a(a, b=8): return a + b - @pyiron_job(cores=2) + @job(cores=2) def my_function_b(a, b=8): return a + b @@ -24,11 +24,11 @@ def my_function_b(a, b=8): self.assertEqual(len(edges_lst), 6) def test_delayed_simple(self): - @pyiron_job + @job def my_function_a(a, b=8): return a + b - @pyiron_job + @job def my_function_b(a, b=8): return a + b