base files

.gitignore

+*~
+build/
+dist/
+__pycache__/
+results/
+*.so
+*.lo
+*.o
+*.pyc
+.idea/
+.DS_Store
+*.egg-info
+docs/_build/
+docs/_static/
+docs/_templates/
+venv/
\ No newline at end of file

MANIFEST.in

+include LICENSE

pyproject.toml

+[build-system]
+requires = [
+    "setuptools>=42",
+    "wheel"
+]
+build-backend = "setuptools.build_meta"

setup.py

+# -*- coding: utf-8 -*-
+import os
+import re
+from setuptools import setup, find_packages
+
+
+setup_kwargs = {}
+
+with open('README.md') as f:
+    setup_kwargs['long_description'] = f.read()
+
+# version from file
+with open(os.path.join('xbanalysis', '_version.py')) as f:
+    mo = re.search(r"^__version__ = ['\"]([^'\"]*)['\"]",
+                   f.read(), re.MULTILINE)
+    if mo:
+        setup_kwargs['version'] = mo.group(1)
+
+setup(
+    name='xbanalysis',
+    description='XBA problem generation from SBML metabolic/kinetic models',
+    author='Peter Schubert',
+    author_email='peter.schubert@hhu.de',
+    url='https://gitlab.cs.uni-duesseldorf.de/schubert/xbanalysis',
+    project_urls={
+        "Source Code": 'https://gitlab.cs.uni-duesseldorf.de/schubert/xbanalysis',
+        "Bug Tracker":
+        'https://gitlab.cs.uni-duesseldorf.de/schubert/xbanalysis/-/issues'},
+    classifiers=[
+        "Programming Language :: Python :: 3",
+        "License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)",
+        "Operating System :: OS Independent",
+        "Topic :: Scientific/Engineering :: Bio-Informatics",
+    ],
+    license='GPLv3',
+    long_description_content_type='text/markdown',
+    packages=find_packages(exclude='docs'),
+    install_requires=['pandas>=1.3.0',
+                      'numpy >= 1.20.0',
+                      'sbmlxdf>=0.2.5'],
+    python_requires=">=3.7",
+    keywords=['modeling', 'standardization', 'SBML'],
+    **setup_kwargs
+)

xbanalysis/_version.py

+"""
+Definition of version string.
+"""
+__version__ = "0.1"
+program_name = 'xbanalysis'