Added pyproject.toml.

pes_to_spec/__init__.py

+"""
+Estimate high-resolution photon spectrometer data from low-resolution non-invasive measurements.
+"""
+
+VERSION = "0.0.1"
\ No newline at end of file

pyproject.toml

+[build-system]
+requires = ["setuptools", "setuptools-scm"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "pes_to_spec"
+authors = [
+    {author = "Arman Davtyan", email = "arman.davtyan@xfel.eu"},
+    {author = "Danilo Enoque Ferreira de Lima", email = "danilo.enoque.ferreira.de.lima@xfel.eu"},
+    {author = "Thomas Michelat", email = "thomas.michelat@xfel.eu"}
+    ]
+description = "Use low-resolution non-invasive photon spectrometer data to estimate high-resolution images"
+requires-python = ">=3.7"
+keywords = ["supervised learning", "Principal Components Analysis", "photon spectrometer"]
+classifiers = [
+          "Development Status :: 3 - Alpha",
+          "Environment :: Console",
+          "Intended Audience :: Developers",
+          "Intended Audience :: Science/Research",
+          "Operating System :: POSIX :: Linux",
+          "Programming Language :: Python :: 3",
+          "Programming Language :: Python :: 3.7",
+          "Topic :: Scientific/Engineering :: Information Analysis",
+          "Topic :: Scientific/Engineering :: Physics"
+          ]
+dynamic = ["version", "readme"]
+dependencies = [
+          "numpy>=1.21",
+          "scipy>=1.6"
+          "scikit-learn",
+          "autograd",
+          "h5py"
+          ]
+
+[project.optional-dependencies]
+offline = ["matplotlib", "extra_data"]
+
+[project.scripts]
+offline_analysis = "pes_to_spec.test.offline_analysis:main"
+
+[tool.setuptools]
+packages = ["pes_to_spec"]
+include-package-data = true
+zip-safe = false
+
+[tool.setuptools.dynamic]
+version = {attr = "pes_to_spec.VERSION"}
+readme = {file = ["README.md"]}