Add tox to repo: (#51)

Add the `tox` utility to the repo to run tests and linting.

Requires the addition of a `tox.ini` file, and `setup.cfg` to setup the
repo package correctly.

Requirements are now compiled by tox from the `requirements.in` file.

.gitignore

@@ -1,3 +1,6 @@
+# VSCode settings files:
+.vscode
+
 # Byte-compiled / optimized / DLL files
 __pycache__/
 *.py[cod]
@@ -20,7 +23,6 @@ parts/
 sdist/
 var/
 wheels/
-pip-wheel-metadata/
 share/python-wheels/
 *.egg-info/
 .installed.cfg
@@ -50,6 +52,7 @@ coverage.xml
 *.py,cover
 .hypothesis/
 .pytest_cache/
+cover/
 
 # Translations
 *.mo
@@ -72,6 +75,7 @@ instance/
 docs/_build/
 
 # PyBuilder
+.pybuilder/
 target/
 
 # Jupyter Notebook
@@ -82,7 +86,9 @@ profile_default/
 ipython_config.py
 
 # pyenv
-.python-version
+#   For a library or package, you might want to ignore these files since the code is
+#   intended to run in multiple environments; otherwise, check them in:
+# .python-version
 
 # pipenv
 #   According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
@@ -91,6 +97,13 @@ ipython_config.py
 #   install all needed dependencies.
 #Pipfile.lock
 
+# poetry
+#   Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
+#   This is especially recommended for binary packages to ensure reproducibility, and is more
+#   commonly ignored for libraries.
+#   https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control
+#poetry.lock
+
 # PEP 582; used by e.g. github.com/David-OConnor/pyflow
 __pypackages__/
 
@@ -128,9 +141,21 @@ dmypy.json
 # Pyre type checker
 .pyre/
 
-# ignore generated plot files
-data/plots
+# pytype static type analyzer
+.pytype/
+
+# Cython debug symbols
+cython_debug/
+
+# PyCharm
+#  JetBrains specific template is maintainted in a separate JetBrains.gitignore that can
+#  be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
+#  and can be added to the global gitignore or merged into this file.  For a more nuclear
+#  option (not recommended) you can uncomment the following to ignore the entire idea folder.
+.idea/
+
+# test coverage reports:
+test-reports
 
-#ignore project files
-.idea
-.vscode
+# Generated plots:
+data/

requirements.in

@@ -0,0 +1,4 @@
+matplotlib
+numpy
+scipy
+pyinstaller

requirements.txt

@@ -1,4 +1,43 @@
-matplotlib
-numpy
-scipy
-pyinstaller
+#
+# This file is autogenerated by pip-compile with Python 3.10
+# by the following command:
+#
+#    pip-compile --output-file=requirements.txt requirements.in
+#
+altgraph==0.17.3
+    # via pyinstaller
+contourpy==1.0.6
+    # via matplotlib
+cycler==0.11.0
+    # via matplotlib
+fonttools==4.38.0
+    # via matplotlib
+kiwisolver==1.4.4
+    # via matplotlib
+matplotlib==3.6.2
+    # via -r requirements.in
+numpy==1.24.0
+    # via
+    #   -r requirements.in
+    #   contourpy
+    #   matplotlib
+    #   scipy
+packaging==22.0
+    # via matplotlib
+pillow==9.3.0
+    # via matplotlib
+pyinstaller==5.7.0
+    # via -r requirements.in
+pyinstaller-hooks-contrib==2022.14
+    # via pyinstaller
+pyparsing==3.0.9
+    # via matplotlib
+python-dateutil==2.8.2
+    # via matplotlib
+scipy==1.9.3
+    # via -r requirements.in
+six==1.16.0
+    # via python-dateutil
+
+# The following packages are considered to be unsafe in a requirements file:
+# setuptools

setup.cfg

@@ -0,0 +1,43 @@
+;MIT License
+;
+;Copyright (c) 2022 Tiernan8r
+;
+;Permission is hereby granted, free of charge, to any person obtaining a copy
+;of this software and associated documentation files (the "Software"), to deal
+;in the Software without restriction, including without limitation the rights
+;to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+;copies of the Software, and to permit persons to whom the Software is
+;furnished to do so, subject to the following conditions:
+;
+;The above copyright notice and this permission notice shall be included in all
+;copies or substantial portions of the Software.
+;
+;THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+;IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+;FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+;AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+;LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+;OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+;SOFTWARE.
+[metadata]
+license_files = LICENSE
+name = variational_principle
+author = Tiernan8r
+author_email = [email protected]
+license = MIT
+classifiers =
+    Programming Language :: Python :: 3
+    Programming Language :: Python
+
+;[bdist_wheel]
+;universal = 0 # don't build for python2, only python3
+
+[tool:pytest]
+
+[mypy]
+
+[flake8]
+exclude = .git,__pycache__,.tox,.eggs,*.egg,./venv
+filename =
+    *.py,
+

test-requirements.in

@@ -0,0 +1,28 @@
+# MIT License
+#
+# Copyright (c) 2022 Tiernan8r
+#
+# Permission is hereby granted, free of charge, to any person obtaining a copy
+# of this software and associated documentation files (the "Software"), to deal
+# in the Software without restriction, including without limitation the rights
+# to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+# copies of the Software, and to permit persons to whom the Software is
+# furnished to do so, subject to the following conditions:
+#
+# The above copyright notice and this permission notice shall be included in all
+# copies or substantial portions of the Software.
+#
+# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+# OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+# SOFTWARE.
+-c requirements.txt
+tox
+pip-tools
+mypy
+pytest
+pytest-cov
+pytest-flake8

test-requirements.txt

@@ -0,0 +1,92 @@
+#
+# This file is autogenerated by pip-compile with Python 3.10
+# by the following command:
+#
+#    pip-compile --output-file=test-requirements.txt test-requirements.in
+#
+attrs==22.2.0
+    # via pytest
+build==0.9.0
+    # via pip-tools
+cachetools==5.2.0
+    # via tox
+chardet==5.1.0
+    # via tox
+click==8.1.3
+    # via pip-tools
+colorama==0.4.6
+    # via tox
+coverage[toml]==7.0.0
+    # via pytest-cov
+distlib==0.3.6
+    # via virtualenv
+exceptiongroup==1.0.4
+    # via pytest
+filelock==3.8.2
+    # via
+    #   tox
+    #   virtualenv
+flake8==6.0.0
+    # via pytest-flake8
+iniconfig==1.1.1
+    # via pytest
+mccabe==0.7.0
+    # via flake8
+mypy==0.991
+    # via -r test-requirements.in
+mypy-extensions==0.4.3
+    # via mypy
+packaging==22.0
+    # via
+    #   -c requirements.txt
+    #   build
+    #   pyproject-api
+    #   pytest
+    #   tox
+pep517==0.13.0
+    # via build
+pip-tools==6.12.1
+    # via -r test-requirements.in
+platformdirs==2.6.0
+    # via
+    #   tox
+    #   virtualenv
+pluggy==1.0.0
+    # via
+    #   pytest
+    #   tox
+pycodestyle==2.10.0
+    # via flake8
+pyflakes==3.0.1
+    # via flake8
+pyproject-api==1.2.1
+    # via tox
+pytest==7.2.0
+    # via
+    #   -r test-requirements.in
+    #   pytest-cov
+    #   pytest-flake8
+pytest-cov==4.0.0
+    # via -r test-requirements.in
+pytest-flake8==1.1.1
+    # via -r test-requirements.in
+tomli==2.0.1
+    # via
+    #   build
+    #   coverage
+    #   mypy
+    #   pyproject-api
+    #   pytest
+    #   tox
+tox==4.0.16
+    # via -r test-requirements.in
+typing-extensions==4.4.0
+    # via mypy
+virtualenv==20.17.1
+    # via tox
+wheel==0.38.4
+    # via pip-tools
+
+# The following packages are considered to be unsafe in a requirements file:
+# pip
+# setuptools

tox.ini

@@ -0,0 +1,60 @@
+;MIT License
+;
+;Copyright (c) 2020 Tiernan8r
+;
+;Permission is hereby granted, free of charge, to any person obtaining a copy
+;of this software and associated documentation files (the "Software"), to deal
+;in the Software without restriction, including without limitation the rights
+;to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+;copies of the Software, and to permit persons to whom the Software is
+;furnished to do so, subject to the following conditions:
+;
+;The above copyright notice and this permission notice shall be included in all
+;copies or substantial portions of the Software.
+;
+;THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+;IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+;FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+;AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+;LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+;OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+;SOFTWARE.
+[tox]
+minversion = 2.5
+envlist = tests,pep8,mypy
+
+[testenv]
+deps = -r{toxinidir}/requirements.txt
+       -r{toxinidir}/test-requirements.txt
+usedevelop = True
+basepython = python3
+
+[testenv:pep8]
+deps = flake8
+usedevelop = False
+commands = flake8
+
+[testenv:tests]
+commands = pytest --cache-clear --verbose --cov-config=.coveragerc --cov=src \
+              --cov-report=xml:coverage/python/coverage.xml \
+              --cov-report=term \
+              --junitxml=test-reports/pytest/results.xml {posargs} \
+              {toxinidir}/tests
+setenv =
+       RUNNING_IN_TOX = 1
+
+
+[testenv:mypy]
+commands = mypy -p src
+
+[testenv:update-pins]
+envdir = {toxworkdir}/pip_tools
+deps = pip-tools
+commands = pip-compile {posargs:--upgrade} --output-file requirements.txt requirements.in
+           pip-compile {posargs:--upgrade} --output-file test-requirements.txt test-requirements.in
+
+[testenv:add-pins]
+envdir = {toxworkdir}/pip_tools
+deps = pip-tools
+commands = pip-compile --output-file requirements.txt requirements.in
+           pip-compile --output-file test-requirements.txt test-requirements.in