DGAmore.py and symmetrize_new.py are now added as executable scripts

README.md

@@ -85,7 +85,8 @@ for single-core execution (mostly used for testing purposes) or
 ```bash
 mpiexec -np <n_proc> 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, `<n_proc>`, should be chosen according to the size of the problem and the
 available computational resources.
 

dgamore/DGAmore.py

@@ -1,3 +1,4 @@
+#!/usr/bin/env python3
 # SPDX-FileCopyrightText: 2025-2026 Julian Peil <julian.peil@tuwien.ac.at>
 # SPDX-License-Identifier: MIT
 #

dgamore/symmetrize_new.py

@@ -1,3 +1,4 @@
+#!/usr/bin/env python3
 # SPDX-FileCopyrightText: 2025-2026 Julian Peil <julian.peil@tuwien.ac.at>
 # SPDX-License-Identifier: MIT
 #

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",
 )

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 <julian.peil@tuwien.ac.at>
+# SPDX-License-Identifier: MIT
+#
+# DGAmore — Multi-Orbital Ladder Dynamical Vertex Approximation (LDGA) &
+#           Eliashberg Equation Solver for Strongly Correlated Electron Systems
 
 import os
 

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 <julian.peil@tuwien.ac.at>
+# 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