Merge pull request #53 from paulromano/pyproject-toml

Put all project metadata in pyproject.toml

Author: nstauff

README.md

@@ -3,34 +3,31 @@
 [![License](https://img.shields.io/badge/license-MIT-green)](https://opensource.org/licenses/MIT)
 [![GitHub Actions build status (Linux)](https://github.com/watts-dev/watts/workflows/CI/badge.svg?branch=development)](https://github.com/watts-dev/watts/actions?query=workflow%3ACI)
 
-
-WATTS (Workflow and Template Toolkit for Simulation) provides a set of Python
-classes that can manage simulation workflows for multiple codes where
-information is exchanged at a coarse level. For each code, input files rely on
-placeholder values that are filled in based on a set of user-defined parameters.
-
-WATTS is being developed with support from Argonne National Laboratory. For any
-questions, please contact [watts@anl.gov](mailto:watts@anl.gov).
+WATTS (Workflow and Template Toolkit for Simulation) consists of a set of Python
+classes that can manage simulation workflows for one or multiple codes. It
+provides the following capabilities:
+
+- An isolated execution environment when running a code;
+- The ability to use placeholder values in input files that are filled in
+  programmatically;
+- Seamless unit conversions when working with multiple codes;
+- A managed database that simulation inputs and outputs are automatically saved
+  to; and
+- Python classes that provide extra post-processing and analysis capabilities
+  for each code.
 
 ## Installation
 
-- pip install watts
-
-## Documentation
+To install `watts`, run:
 
-Here is the link to the online [__documentation__](https://watts.readthedocs.io/en/latest/user/index.html).
+    python -m pip install watts
 
-In case you want to build the documentation locally, you can run:
-
-- cd doc
-- pip install -r requirements.txt
-- make html
-
-Then you can view the documentation with:
-- google-chrome build/html/index.html
+## Documentation
 
-or replace google-chrome with your favorite browser.
+Documentation for WATTS can be found
+[__here__](https://watts.readthedocs.io/en/latest/index.html).
 
-## Tutorial
+## Sponsors
 
-Here is the link to a series of [__examples__](/examples/README.md).
+WATTS is being developed with support from Argonne National Laboratory. For any
+questions, please contact [watts@anl.gov](mailto:watts@anl.gov).

doc/source/_static/switcher.json

@@ -1,14 +1,17 @@
 [
     {
         "name": "dev",
-        "version": "latest"
+        "version": "latest",
+        "url": "https://watts.readthedocs.io/en/latest/"
     },
     {
         "name": "0.2.0",
-        "version": "v0.2.0"
+        "version": "v0.2.0",
+        "url": "https://watts.readthedocs.io/en/v0.2.0/"
     },
     {
         "name": "0.1.0",
-        "version": "v0.1.0"
+        "version": "v0.1.0",
+        "url": "https://watts.readthedocs.io/en/v0.1.0/"
     }
 ]

doc/source/conf.py

@@ -92,7 +92,6 @@
     ],
     "switcher": {
         "json_url": "https://watts.readthedocs.io/en/latest/_static/switcher.json",
-        "url_template": "https://watts.readthedocs.io/en/{version}/",
         "version_match": version if '-dev' not in version else 'dev',
     },
     "navbar_end": ["version-switcher", "navbar-icon-links"],

doc/source/dev/contributing.rst

@@ -124,7 +124,7 @@ As a developer, it is advisable to install WATTS from the local source tree in
 "`editable <https://pip.pypa.io/en/stable/cli/pip_install/#editable-installs>`_"
 mode::
 
-  pip install -e <path-to-watts-dir>
+  python -m pip install -e <path-to-watts-dir>
 
 This will install the package via a link to the original location so that any
 local changes are immediately reflected in your environment.

doc/source/user/install.rst

@@ -7,7 +7,7 @@ WATTS can be installed by running:
 
 .. code-block:: sh
 
-    pip install watts
+    python -m pip install watts
 
 If you are developing a feature in WATTS, please see :ref:`install_develop`.
 

pyproject.toml

@@ -1,6 +1,54 @@
 [build-system]
-requires = [
-    "setuptools>=42",
-    "wheel"
+requires = ["flit_core >=3.2,<4"]
+build-backend = "flit_core.buildapi"
+
+[project]
+name = "watts"
+version = "0.3.0-dev"
+authors = [
+    { name = "UChicago Argonne, LLC", email = "watts@anl.gov" },
 ]
-build-backend = "setuptools.build_meta"
+license = { file = "LICENSE" }
+description = "Workflow and Template Toolkit for Simulation"
+readme = "README.md"
+classifiers = [
+    "Development Status :: 3 - Alpha",
+    "Intended Audience :: Developers",
+    "Intended Audience :: End Users/Desktop",
+    "Intended Audience :: Science/Research",
+    "License :: OSI Approved :: MIT License",
+    "Natural Language :: English",
+    "Operating System :: OS Independent",
+    "Topic :: Scientific/Engineering",
+    "Programming Language :: C++",
+    "Programming Language :: Python :: 3",
+    "Programming Language :: Python :: 3.7",
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.10",
+]
+requires-python = ">=3.7"
+dependencies = [
+    "Jinja2",
+    "dill",
+    "numpy",
+    "pandas",
+    "platformdirs",
+    "prettytable",
+    "astropy",
+    "uncertainties",
+]
+
+[project.optional-dependencies]
+test = ["pytest"]
+docs = [
+    "sphinx",
+    "pydata_sphinx_theme",
+    "sphinx_design",
+    "sphinx-autodoc-typehints",
+]
+
+[project.urls]
+"Bug Tracker" = "https://github.com/watts-dev/watts/issues"
+Documentation = "https://watts.readthedocs.io"
+"Source Code" = "https://github.com/watts-dev/watts"