Merge pull request #43 from paulsaxe/main

Added elemental density and electron configuration

Makefile

@@ -71,34 +71,33 @@ coverage: ## check code coverage quickly with the default Python
 	coverage html
 	$(BROWSER) htmlcov/index.html
 
-docs: ## generate Sphinx HTML documentation, including API docs
-	rm -f docs/$(MODULE).rst
-	rm -f docs/modules.rst
-	sphinx-apidoc -o docs/ $(MODULE)
+html: ## generate Sphinx HTML documentation, including API docs
+	rm -f docs/developer/$(MODULE).rst
+	rm -f docs/developer/modules.rst
+	sphinx-apidoc -o docs/developer $(MODULE)
 	$(MAKE) -C docs clean
 	$(MAKE) -C docs html
+	rm -f docs/developer/$(MODULE).rst
+	rm -f docs/developer/modules.rst
+
+docs: html ## Make the html docs and show in the browser
 	$(BROWSER) docs/_build/html/index.html
-	rm -f docs/$(MODULE).rst
-	rm -f docs/modules.rst
 
 servedocs: docs ## compile the docs watching for changes
 	watchmedo shell-command -p '*.rst' -c '$(MAKE) -C docs html' -R -D .
 
-release: clean ## package and upload a release
-	python setup.py sdist bdist_wheel
+release: dist ## package and upload a release
 	python -m twine upload dist/*
 
-
-#	python setup.py sdist upload
-#	python setup.py bdist_wheel upload
+check-release: dist ## check the release for errors
+	python -m twine check dist/*
 
 dist: clean ## builds source and wheel package
-	python setup.py sdist
-	python setup.py bdist_wheel
+	python -m build
 	ls -l dist
 
 install: uninstall ## install the package to the active Python's site-packages
-	python setup.py install
+	pip install .
 
 uninstall: clean ## uninstall the package
 	pip uninstall --yes $(MODULE)