Adds setup.py and pyproject.toml

Progress towards:
 - #51 (comment)

pyproject.toml

@@ -0,0 +1,6 @@
+[build-system]
+requires = [
+    "setuptools>=42",
+    "wheel"
+]
+build-backend = "setuptools.build_meta"

setup.py

@@ -0,0 +1,214 @@
+"""
+A setuptools based setup module.
+
+See:
+https://packaging.python.org/guides/distributing-packages-using-setuptools/
+https://github.com/pypa/sampleproject
+"""
+
+# Always prefer setuptools over distutils
+import setuptools
+import pathlib
+import io
+import re
+import os
+from glob import glob
+
+here = pathlib.Path(__file__).parent.resolve()
+
+# Get the long description from the README file
+long_description = (here / 'README.md').read_text(encoding='utf-8')
+
+# def read(*names, **kwargs):
+#     with io.open(
+#         join(dirname(__file__), *names),
+#         encoding=kwargs.get('encoding', 'utf8')
+#     ) as fh:
+#         return fh.read()
+
+# Arguments marked as "Required" below must be included for upload to PyPI.
+# Fields marked as "Optional" may be commented out.
+
+# package_dir={'': 'l2hmc'},
+setuptools.setup(
+    # This is the name of your project. The first time you publish this
+    # package, this name will be registered for you. It will determine how
+    # users can install this project, e.g.:
+    #
+    # $ pip install sampleproject
+    #
+    # And where it will live on PyPI: https://pypi.org/project/sampleproject/
+    #
+    # There are some restrictions on what makes a valid project name
+    # specification here:
+    # https://packaging.python.org/specifications/core-metadata/#name
+    name='l2hmc',  # Required
+
+    # Versions should comply with PEP 440:
+    # https://www.python.org/dev/peps/pep-0440/
+    #
+    # For a discussion on single-sourcing the version across setup.py and the
+    # project code, see
+    # https://packaging.python.org/guides/single-sourcing-package-version/
+    version='1.0.0',  # Required
+
+    # This is a one-line description or tagline of what your project does. This
+    # corresponds to the "Summary" metadata field:
+    # https://packaging.python.org/specifications/core-metadata/#summary
+    description='Application of the L2HMC algorithm to Lattice QCD',  # Optional
+
+    # This is an optional longer description of your project that represents
+    # the body of text which users will see when they visit PyPI.
+    #
+    # Often, this is the same as your README, so you can just read it in from
+    # that file directly (as we have already done above)
+    #
+    # This field corresponds to the "Description" metadata field:
+    # https://packaging.python.org/specifications/core-metadata/#description-optional
+
+    # Denotes that our long_description is in Markdown; valid values are
+    # text/plain, text/x-rst, and text/markdown
+    #
+    # Optional if long_description is written in reStructuredText (rst) but
+    # required for plain-text or Markdown; if unspecified, "applications should
+    # attempt to render [the long_description] as text/x-rst; charset=UTF-8 and
+    # fall back to text/plain if it is not valid rst" (see link below)
+    #
+    long_description=long_description,  # Optional
+    # This field corresponds to the "Description-Content-Type" metadata field:
+    # https://packaging.python.org/specifications/core-metadata/#description-content-type-optional
+    long_description_content_type='text/markdown',  # Optional (see note above)
+
+    # This should be a valid link to your project's main homepage.
+    #
+    # This field corresponds to the "Home-Page" metadata field:
+    # https://packaging.python.org/specifications/core-metadata/#home-page-optional
+    url='https://github.com/saforem2/l2hmc-qcd',  # Optional
+
+    # This should be your name or the name of the organization which owns the
+    # project.
+    author='Sam Foreman',  # Optional
+
+    # This should be a valid email address corresponding to the author listed
+    # above.
+    author_email='saforem2@gmail.com',  # Optional
+
+    # Classifiers help users find your project by categorizing it.
+    #
+    # For a list of valid classifiers, see https://pypi.org/classifiers/
+    classifiers=[  # Optional
+        # How mature is this project? Common values are
+        #   3 - Alpha
+        #   4 - Beta
+        #   5 - Production/Stable
+        'Development Status :: 4 - Beta',
+
+        # Indicate who your project is intended for
+        'Intended Audience :: Developers',
+        # 'Topic :: Software Development :: Build Tools',
+
+        # Pick your license as you wish
+        'License :: OSI Approved :: Apache-2.0',
+
+        # Specify the Python versions you support here. In particular, ensure
+        # that you indicate you support Python 3. These classifiers are *not*
+        # checked by 'pip install'. See instead 'python_requires' below.
+        'Programming Language :: Python :: 3',
+        # 'Programming Language :: Python :: 3.9',
+        # 'Programming Language :: Python :: 3.8',
+        # "Programming Language :: Python :: 3.10",
+        # 'Programming Language :: Python :: 3 :: Only',
+    ],
+
+    # This field adds keywords for your project which will appear on the
+    # project page. What does your project relate to?
+    #
+    # Note that this is a list of additional keywords, separated
+    # by commas, to be used to assist searching for the distribution in a
+    # larger catalog.
+    keywords='mcmc, lattice, lgt, ml',  # Optional
+
+    # When your source code is in a subdirectory under the project root, e.g.
+    # `src/`, it is necessary to specify the `package_dir` argument.
+    package_dir={'': 'src'},  # Optional
+
+    # You can just specify package directories manually here if your project is
+    # simple. Or you can use find_packages().
+    #
+    # Alternatively, if you just want to distribute a single Python file, use
+    # the `py_modules` argument instead as follows, which will expect a file
+    # called `my_module.py` to exist:
+    #
+    #   py_modules=["my_module"],
+    #
+    packages=setuptools.find_packages(where='src'),  # Required
+
+    # Specify which Python versions you support. In contrast to the
+    # 'Programming Language' classifiers above, 'pip install' will check this
+    # and refuse to install the project if the version does not match. See
+    # https://packaging.python.org/guides/distributing-packages-using-setuptools/#python-requires
+    python_requires='>=3.8, <4',
+
+    # This field lists other packages that your project depends on to run.
+    # Any package you put here will be installed by pip when your project is
+    # installed, so they must be valid existing projects.
+    #
+    # For an analysis of "install_requires" vs pip's requirements files see:
+    # https://packaging.python.org/discussions/install-requires-vs-requirements/
+    install_requires=[],  # Optional
+
+    # List additional groups of dependencies here (e.g. development
+    # dependencies). Users will be able to install these using the "extras"
+    # syntax, for example:
+    #
+    #   $ pip install sampleproject[dev]
+    #
+    # Similar to `install_requires` above, these must be valid existing
+    # projects.
+    # extras_require={  # Optional
+    #     'dev': ['check-manifest'],
+    #     'test': ['coverage'],
+    # },
+
+    # If there are data files included in your packages that need to be
+    # installed, specify them here.
+    # package_data={  # Optional
+    #     'sample': ['package_data.dat'],
+    # },
+
+    # Although 'package_data' is the preferred approach, in some case you may
+    # need to place data files outside of your packages. See:
+    # http://docs.python.org/distutils/setupscript.html#installing-additional-files
+    #
+    # In this case, 'data_file' will be installed into '<sys.prefix>/my_data'
+    # data_files=[('my_data', ['data/data_file'])],  # Optional
+
+    # To provide executable scripts, use entry points in preference to the
+    # "scripts" keyword. Entry points provide cross-platform support and allow
+    # `pip` to create the appropriate form of executable for the target
+    # platform.
+    #
+    # For example, the following would provide a command called `sample` which
+    # executes the function `main` from this package when invoked:
+    entry_points={  # Optional
+        'console_scripts': [
+            'train=train:main',
+        ],
+    },
+
+    # List additional URLs that are relevant to your project as a dict.
+    #
+    # This field corresponds to the "Project-URL" metadata fields:
+    # https://packaging.python.org/specifications/core-metadata/#project-url-multiple-use
+    #
+    # Examples listed include a pattern for specifying where the package tracks
+    # issues, where the source is hosted, where to say thanks to the package
+    # maintainers, and where to support the project financially. The key is
+    # what's used to render the link text on PyPI.
+    # project_urls={  # Optional
+    #     'Bug Reports': 'https://github.com/pypa/sampleproject/issues',
+    #     'Funding': 'https://donate.pypi.org',
+    #     'Say Thanks!': 'http://saythanks.io/to/example',
+    #     'Source': 'https://github.com/pypa/sampleproject/',
+    # },
+)