From d127580df9fb707606ccc156aa53c0579cbaa7fc Mon Sep 17 00:00:00 2001 From: julpe Date: Wed, 3 Jun 2026 18:35:02 -0400 Subject: [PATCH 1/2] DGAmore.py and symmetrize_new.py are now added as executable scripts to the environment after installing and do not require the full path for execution. --- dgamore/DGAmore.py | 1 + dgamore/symmetrize_new.py | 1 + setup.py | 1 + tests/test_mpi_distributor.py | 10 +++++----- tests/test_mpi_utils.py | 11 +++++------ 5 files changed, 13 insertions(+), 11 deletions(-) diff --git a/dgamore/DGAmore.py b/dgamore/DGAmore.py index 2c6f83a0..4b7de6a8 100644 --- a/dgamore/DGAmore.py +++ b/dgamore/DGAmore.py @@ -1,3 +1,4 @@ +#!/usr/bin/env python3 # SPDX-FileCopyrightText: 2025-2026 Julian Peil # SPDX-License-Identifier: MIT # diff --git a/dgamore/symmetrize_new.py b/dgamore/symmetrize_new.py index e03d7ae9..e57be434 100644 --- a/dgamore/symmetrize_new.py +++ b/dgamore/symmetrize_new.py @@ -1,3 +1,4 @@ +#!/usr/bin/env python3 # SPDX-FileCopyrightText: 2025-2026 Julian Peil # SPDX-License-Identifier: MIT # diff --git a/setup.py b/setup.py index 20ed2f7f..886e28cb 100644 --- a/setup.py +++ b/setup.py @@ -22,5 +22,6 @@ "Operating System :: POSIX", "Operating System :: POSIX :: Linux", ], + scripts=["dgamore/DGAmore.py", "dgamore/symmetrize_new.py"], python_requires=">=3.12", ) diff --git a/tests/test_mpi_distributor.py b/tests/test_mpi_distributor.py index 5d4e6031..4b52b320 100644 --- a/tests/test_mpi_distributor.py +++ b/tests/test_mpi_distributor.py @@ -1,8 +1,8 @@ -"""Unit tests for dgamore.mpi_distributor.MpiDistributor. - -All MPI behaviour is provided by an in-process thread-based fake communicator -(set up in conftest.py), so no MPI installation is required. -""" +# SPDX-FileCopyrightText: 2025-2026 Julian Peil +# SPDX-License-Identifier: MIT +# +# DGAmore — Multi-Orbital Ladder Dynamical Vertex Approximation (LDGA) & +# Eliashberg Equation Solver for Strongly Correlated Electron Systems import os diff --git a/tests/test_mpi_utils.py b/tests/test_mpi_utils.py index 8f3807fa..527e732b 100644 --- a/tests/test_mpi_utils.py +++ b/tests/test_mpi_utils.py @@ -1,9 +1,8 @@ -"""Unit tests for dgamore.mpi_utils. - -Uses the in-process thread-based fake MPI communicator; no MPI installation is -required. Faked dgamore submodules (config, four_point, brillouin_zone, -symmetry_reduction) supply the minimal surface the code touches. -""" +# SPDX-FileCopyrightText: 2025-2026 Julian Peil +# SPDX-License-Identifier: MIT +# +# DGAmore — Multi-Orbital Ladder Dynamical Vertex Approximation (LDGA) & +# Eliashberg Equation Solver for Strongly Correlated Electron Systems import numpy as np import pytest From 68ada56178383c592f4ff5f9e889132dbd941c4b Mon Sep 17 00:00:00 2001 From: julpe Date: Wed, 3 Jun 2026 18:37:02 -0400 Subject: [PATCH 2/2] DGAmore.py and symmetrize_new.py are now added as executable scripts to the environment after installing and do not require the full path for execution. --- README.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index bf8e562c..579f5851 100644 --- a/README.md +++ b/README.md @@ -85,7 +85,8 @@ for single-core execution (mostly used for testing purposes) or ```bash mpiexec -np python DGAmore.py ``` -for multi-core processing with MPI. Instead of `mpiexec`, one can also use `mpirun` or `srun` (if you are using a +for multi-core processing with MPI. The entry point is added as an executable to the python environment and does not +need the full path specified to run. Instead of `mpiexec`, one can also use `mpirun` or `srun` (if you are using a slurm-based cluster). The number of processes, ``, should be chosen according to the size of the problem and the available computational resources.