From 3811c4baf04ee3d0ba76c9ca2f83a76cb6b3a90a Mon Sep 17 00:00:00 2001
From: Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>
Date: Fri, 2 Jun 2023 11:03:08 +0200
Subject: [PATCH] Restore pip.freeze and setup.py in src/

Since those files are still required for an
editable install (make devel)
---
 src/pip.freeze | 12 ++++++++
 src/setup.py   | 78 ++++++++++++++++++++++++++++++++++++++++++++++++++
 2 files changed, 90 insertions(+)
 create mode 100644 src/pip.freeze
 create mode 100644 src/setup.py

diff --git a/src/pip.freeze b/src/pip.freeze
new file mode 100644
index 0000000..406ab63
--- /dev/null
+++ b/src/pip.freeze
@@ -0,0 +1,12 @@
+ase
+h5py
+ipython
+lxml
+matplotlib
+numpy
+Pint
+pandas
+pycairo
+scipy
+setuptools-scm
+terminaltables
diff --git a/src/setup.py b/src/setup.py
new file mode 100644
index 0000000..8dd9c43
--- /dev/null
+++ b/src/setup.py
@@ -0,0 +1,78 @@
+#!/usr/bin/env python
+#
+# Copyright © 2016-2020 - Rennes Physics Institute
+#
+# This file is part of msspec.
+#
+# msspec is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+
+# msspec is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
+#
+# Source file  : src/setup.py
+# Last modified: mar. 07 avril 2020 17:01:42
+# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+
+import sys
+sys.path.insert(0, "msspec")
+from setuptools import setup, find_packages
+from version import __version__
+
+with open('pip.freeze', 'r') as fd:
+    REQUIREMENTS = fd.read().strip().split('\n')
+
+if __name__ == "__main__":
+    setup(name='msspec',
+          version=__version__,
+          include_package_data=True,
+          packages=find_packages(include='msspec.*'),
+          #setup_requires=SETUP_REQUIREMENTS,
+          install_requires=REQUIREMENTS,
+
+          author='Didier Sébilleau, Sylvain Tricot',
+          author_email='sylvain.tricot@univ-rennes1.fr',
+          maintainer='Sylvain Tricot',
+          maintainer_email='sylvain.tricot@univ-rennes1.fr',
+          url='https://msspec.cnrs.fr',
+          description=('A multiple scattering package for sepectroscopies '
+                       'using electrons to probe materials'),
+          long_description="""MsSpec is a Fortran package to compute the
+          cross-section of several spectroscopies involving one (or more)
+          electron(s) as the probe. This package provides a python interface to
+          control all the steps of the calculation.
+
+          Available spectroscopies:
+             * Photoelectron diffraction
+             * Auger electron diffraction
+             * Low energy electron diffraction
+             * X-Ray absorption spectroscopy
+             * Auger Photoelectron coincidence spectroscopy
+             * Computation of the spectral radius""",
+          download_url='https://msspec.cnrs.fr/downloads.html',
+          # See https://pypi.python.org/pypi?%3Aaction=list_classifiers
+          classifiers=[
+            'Development Status :: 3 - Alpha',
+            'Environment :: Console',
+            'Intended Audience :: Science/Research',
+            'License :: OSI Approved :: GNU General Public License (GPL)',
+            'Natural Language :: English',
+            'Operating System :: Microsoft :: Windows :: Windows 10',
+            'Operating System :: POSIX :: Linux',
+            'Operating System :: MacOS :: MacOS X',
+            'Programming Language :: Fortran',
+            'Programming Language :: Python :: 3 :: Only',
+            'Topic :: Scientific/Engineering :: Physics',
+          ],
+          keywords='spectroscopy atom electron photon multiple scattering',
+          license='GPL',
+          #entry_points={
+          #    'console_scripts': ['msspec=msspec.cli:main']}
+          )