chore: keep pyproject.toml only for package setup

pyproject.toml

@@ -1,10 +1,88 @@
-[build-system]
-requires = ["setuptools>=45", "wheel", "setuptools_scm>=6.2"]
-build-backend = "setuptools.build_meta"
+[project]
+name = "express-py"
+dynamic = ["version"]
+description = "EXcellent PRoperty Extractor and Serializer."
+readme = "README.md"
+requires-python = ">=3.8"
+license = { file = "LICENSE.md" }
+authors = [
+    { name = "Exabyte Inc.", email = "info@mat3ra.com" }
+]
+classifiers = [
+    "Programming Language :: Python",
+    "Programming Language :: Python :: 3",
+    "Development Status :: 3 - Alpha",
+    "Topic :: Software Development",
+]
+dependencies = [
+    "munch==2.5.0",
+    "pymatgen==2023.8.10",
+    "ase==3.17.0",
+    "mat3ra-esse==2024.1.25.post6",
+    "rdkit-pypi>=2022.3.5",
+    "jarvis-tools==2023.12.12",
+]
 
-[tool.setuptools_scm]
-write_to = "express/_version.py"
+[project.optional-dependencies]
+tests = [
+    "coverage[toml]>=5.3",
+]
+all = ["express-py[tests]"]
 
 [tool.coverage.run]
 source = ['.']
 omit = ['env*/*', 'venv*/*', 'tests/*']
+
+# Entrypoint scripts can be defined here, see examples below.
+[project.scripts]
+# my-script = "my_package.my_module:my_function"
+
+[build-system]
+requires = [
+    "setuptools>=42",
+    "setuptools-scm[toml]>=3.4"
+]
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools_scm]
+git_describe_command = "git describe --tags --long"
+# Consider the below to allow for versions like 2024.1.25.post5.dev1'
+# https://github.com/pypa/setuptools_scm/issues/342#issuecomment-1233118020
+# This won't require a git tag to be present before each publish.
+# See https://github.com/Exabyte-io/actions/blob/main/py/publish/action.yml#L47 also.
+# local_scheme = "no-local-version"
+
+[tool.setuptools.packages.find]
+where = ["."]
+exclude = [
+    "tests",
+    "tests.*",
+]
+
+[tool.black]
+line-length = 120
+target-version = ['py38']
+# 'extend-exclude' excludes files or directories in addition to the defaults
+extend-exclude = '''
+(
+    examples\/.*\/.*\.py
+  | other\/.*\/.*\.(py|ipynb)
+)
+'''
+
+[tool.ruff]
+# Exclude a variety of commonly ignored directories.
+extend-exclude = [
+    "src/js",
+    "tests/js"
+]
+line-length = 120
+target-version = "py38"
+
+[tool.ruff.per-file-ignores]
+"__init__.py" = ["F401"]
+
+[tool.isort]
+profile = "black"
+multi_line_output = 3
+include_trailing_comma = true