Fixed jobex flow maker.

Added some documentation.

CHANGELOG.md

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+# Changelog
+
+Empty for now

CONTRIBUTING.md

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+# Contributing to atomate2-turbomole
+
+We love your input! We want to make contributing to as easy and
+transparent as possible, whether it's:
+
+- Reporting a bug
+- Discussing the current state of the code
+- Submitting a fix
+- Proposing or implementing new features
+- Becoming a maintainer
+
+## Reporting bugs, getting help, and discussion
+
+atomate2-turbomole is still in development, so at the moment we
+do not have a dedicated help forum. For the time being, please
+submit questions and bugs to the
+[GitHub issues page](https://github.com/Matgenix/atomate2-turbomole/issues).
+
+If you are making a bug report, incorporate as many elements of the
+following as possible to ensure a timely response and avoid the
+need for followups:
+
+- A quick summary and/or background.
+- Steps to reproduce - be specific! **Provide sample code.**
+- What you expected would happen, compared to what actually happens.
+- The full stack trace of any errors you encounter.
+- Notes (possibly including why you think this might be happening,
+  or steps you tried that didn't work).
+
+We love thorough bug reports as this means the development team can
+make quick and meaningful fixes. When we confirm your bug report,
+we'll move it to the GitHub issues where its progress can be
+further tracked.
+
+## Contributing code modifications or additions through Github
+
+We use github to host code, to track issues and feature requests,
+as well as accept pull requests. We maintain a list of all
+contributors [here](https://Matgenix.github.io/atomate2-turbomole/contributors.html).
+
+Pull requests are the best way to propose changes to the codebase.
+Follow the [Github flow](https://www.atlassian.com/git/tutorials/comparing-workflows/forking-workflow)
+for more information on this procedure.
+
+The basic procedure for making a PR is:
+
+- Fork the repo and create your branch from main.
+- Commit your improvements to your branch and push to your Github fork (repo).
+- When you're finished, go to your fork and make a Pull Request. It will
+  automatically update if you need to make further changes.
+
+## How to Make a Great Pull Request
+
+We have a few tips for writing good PRs that are accepted into the main repo:
+
+- Use the Numpy Code style for all of your code. Find an example [here](https://sphinxcontrib-napoleon.readthedocs.io/en/latest/example_numpy.html#example-numpy).
+- Your code should have (4) spaces instead of tabs.
+- If needed, update the documentation.
+- **Write tests** for new features! Good tests are 100%, absolutely necessary
+  for good code. We use the python `pytest` framework -- see some of the
+  other tests in this repo for examples, or review the [Hitchhiker's guide
+  to python](https://docs.python-guide.org/writing/tests) for some good
+  resources on writing good tests.
+- Understand your contributions will fall under the same license as this repo.
+- This project uses `pre-commit` for uniform linting across many developers. You can install
+  it through the extra dev dependencies with `pip install -e .[dev]`  and then run `pre-commit install`
+  to activate it for you local repository.
+
+When you submit your PR, our CI service will automatically run your tests.
+We welcome good discussion on the best ways to write your code, and the comments
+on your PR are an excellent area for discussion.

doc/Makefile

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+# Makefile for Sphinx documentation
+#
+
+# PYVER needs to be major.minor, just "3" doesn't work - it will result in
+# issues with the amendments to PYTHONPATH and install paths (see DIST_VARS).
+
+# Use explicit "version_info" indexing since make cannot handle colon characters, and
+# evaluate it now to allow easier debugging when printing the variable
+
+PYVER:=$(shell python3 -c 'from sys import version_info as v; print("{0}.{1}".format(v[0], v[1]))')
+PYTHON = python$(PYVER)
+
+# You can set these variables from the command line.
+SPHINXOPTS    ?=
+SPHINXBUILD   ?= LANG=C sphinx-build
+PAPER         ?=
+# # For merging a documentation archive into a git checkout of numpy/doc
+# # Turn a tag like v1.18.0 into 1.18
+# # Use sed -n -e 's/patttern/match/p' to return a blank value if no match
+# TAG ?= $(shell git describe --tag | sed -n -e's,v\([1-9]\.[0-9]*\)\.[0-9].*,\1,p')
+
+FILES=
+
+# Internal variables.
+PAPEROPT_a4     = -D latex_paper_size=a4
+PAPEROPT_letter = -D latex_paper_size=letter
+ALLSPHINXOPTS   = -T --keep-going -d build/doctrees $(PAPEROPT_$(PAPER)) \
+                  $(SPHINXOPTS) source
+
+.PHONY: help clean html version-check html-build
+
+#------------------------------------------------------------------------------
+
+help:
+	@echo "Please use \`make <target>' where <target> is one of"
+	@echo "  clean     to remove generated doc files and start fresh"
+	@echo "  html      to make standalone HTML files"
+
+clean:
+	-rm -rf build/*
+	find . -name generated -type d -prune -exec rm -rf "{}" ";"
+
+
+#------------------------------------------------------------------------------
+# Automated generation of all documents
+#------------------------------------------------------------------------------
+
+# Build the current QToolKit version, and extract docs from it.
+# We have to be careful of some issues:
+#
+# - Everything must be done using the same Python version
+#
+
+#SPHINXBUILD="LANG=C sphinx-build"
+
+
+#------------------------------------------------------------------------------
+# Basic Sphinx generation rules for different formats
+#------------------------------------------------------------------------------
+generate: build/generate-stamp
+build/generate-stamp: $(wildcard source/reference/*.rst)
+	mkdir -p build
+	touch build/generate-stamp
+
+generate-rst-from-md:
+	# generate contributing docs
+	mkdir -p source/dev
+	pandoc --from=markdown --to=rst --output=source/dev/_contributing.rst ../CONTRIBUTING.md
+	echo ".. _contributing:" > source/dev/contributing.rst
+	cat source/dev/_contributing.rst >> source/dev/contributing.rst
+	rm source/dev/_contributing.rst
+	# generate changelog
+	pandoc --from=markdown --to=rst --output=source/_changelog.rst ../CHANGELOG.md
+	echo ".. _changelog:" > source/changelog.rst
+	cat source/_changelog.rst >> source/changelog.rst
+	rm source/_changelog.rst
+
+html: api-doc html-build
+html-build: generate generate-rst-from-md
+	mkdir -p build/html build/doctrees
+	$(SPHINXBUILD) -b html $(ALLSPHINXOPTS) build/html $(FILES)
+	@echo
+	@echo "Build finished. The HTML pages are in build/html."
+api-doc:
+	sphinx-apidoc -e -f -o source/api ../src/atomate2/turbomole

doc/source/_static/atomate2_turbomole.css

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+@import url('https://fonts.googleapis.com/css2?family=Lato:ital,wght@0,400;0,700;0,900;1,400;1,700;1,900&family=Open+Sans:ital,wght@0,400;0,600;1,400;1,600&display=swap');
+
+:root {
+    --matgenix-color: #46b3c1;
+    --matgenix-dark-color: #338d99;
+}
+
+.navbar-brand img {
+   height: 75px;
+}
+.navbar-brand {
+   height: 75px;
+}
+
+body {
+  font-family: 'Open Sans', sans-serif;
+}
+
+pre, code {
+  font-size: 100%;
+  line-height: 155%;
+}
+
+h1 {
+  font-family: "Lato", sans-serif;
+  color: #013243; /* warm black */
+}
+
+h2 {
+  color: #4d77cf; /* han blue */
+  letter-spacing: -.03em;
+}
+
+h3 {
+  color: #013243; /* warm black */
+  letter-spacing: -.03em;
+}
+
+/* Style the active version button.
+
+- dev: orange
+- stable: green
+- old, PR: red
+
+Colors from:
+
+Wong, B. Points of view: Color blindness.
+Nat Methods 8, 441 (2011). https://doi.org/10.1038/nmeth.1618
+*/
+
+/* If the active version has the name "dev", style it orange */
+#version_switcher_button[data-active-version-name*="dev"] {
+  background-color: #E69F00;
+  border-color: #E69F00;
+  color:#000000;
+}
+
+/* green for `stable` */
+#version_switcher_button[data-active-version-name*="stable"] {
+  background-color: #009E73;
+  border-color: #009E73;
+}
+
+/* red for `old` */
+#version_switcher_button:not([data-active-version-name*="stable"], [data-active-version-name*="dev"], [data-active-version-name=""]) {
+  background-color: #980F0F;
+  border-color: #980F0F;
+}
+
+/* Main page overview cards */
+
+.sd-card {
+  background: #fff;
+  border-radius: 0;
+  padding: 30px 10px 20px 10px;
+  margin: 10px 0px;
+}
+
+.sd-card .sd-card-header {
+  text-align: center;
+}
+
+.sd-card .sd-card-header .sd-card-text {
+  margin: 0px;
+}
+
+.sd-card .sd-card-img-top {
+  height: 52px;
+  width: 52px;
+  margin-left: auto;
+  margin-right: auto;
+}
+
+.sd-card .sd-card-header {
+  border: none;
+  background-color: white;
+  color: #150458 !important;
+  font-size: var(--pst-font-size-h5);
+  font-weight: bold;
+  padding: 2.5rem 0rem 0.5rem 0rem;
+}
+
+.sd-card .sd-card-footer {
+  border: none;
+  background-color: white;
+}
+
+.sd-card .sd-card-footer .sd-card-text {
+  max-width: 220px;
+  margin-left: auto;
+  margin-right: auto;
+}
+
+/* Announcements */
+.bd-header-announcement {
+  background-color: orange;
+}
+
+/* Dark theme tweaking */
+html[data-theme=dark] .sd-card img[src*='.svg'] {
+    filter: invert(0.82) brightness(0.8) contrast(1.2);
+}
+
+/* Main index page overview cards */
+html[data-theme=dark] .sd-card {
+  background-color:var(--pst-color-background);
+}
+
+html[data-theme=dark] .sd-shadow-sm {
+    box-shadow: 0 .1rem 1rem rgba(250, 250, 250, .6) !important
+}
+
+html[data-theme=dark] .sd-card .sd-card-header {
+  background-color:var(--pst-color-background);
+  color: #150458 !important;
+}
+
+html[data-theme=dark] .sd-card .sd-card-footer {
+  background-color:var(--pst-color-background);
+}
+
+html[data-theme=dark] .bd-header-announcement {
+  background-color: red;
+}
+
+html[data-theme=dark] h1 {
+  color: var(--pst-color-primary);
+}
+
+html[data-theme=dark] h3 {
+  color: #0a6774;
+}
+
+.sd-btn-secondary {
+    background-color: var(--matgenix-color) !important;
+    border-color: var(--matgenix-color) !important;
+}
+
+.sd-btn-secondary:hover, .sd-btn-secondary:focus {
+    background-color: var(--matgenix-dark-color) !important;
+    border-color: var(--matgenix-dark-color) !important;
+}
+
+.red {
+  color: red;
+}
+
+.darkorange {
+  color: DarkOrange;
+}