Update docs & README.md (#87)

* Move docs to https://geem-lab.github.io/overreact-docs/ * Update README.md
geem-lab · Aug 2, 2021 · d51e1b0 · d51e1b0
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diff --git a/.github/workflows/pythonpackage.yml b/.github/workflows/pythonpackage.yml
@@ -4,46 +4,46 @@
 name: build
 
 on:
- push:
- branches: [ main, dev ]
- pull_request:
- branches: [ main, dev ]
+  push:
+  branches: [main, dev]
+  pull_request:
+  branches: [main, dev]
 
 jobs:
- build:
- strategy:
- matrix:
- os:
- - ubuntu-latest
- # - windows-latest
- # - macos-latest
- python-version: [ 3.6, '3.x' ]
+  build:
+  strategy:
+  matrix:
+  os:
+  - ubuntu-latest
+  # - windows-latest
+  # - macos-latest
+  python-version: [3.6, "3.x"]
 
- runs-on: ${{ matrix.os }}
+  runs-on: ${{ matrix.os }}
 
- steps:
- - uses: actions/checkout@v2
- with:
- token: ${{ secrets.INTEGRATIVE_KEY }}
- submodules: true
- - name: Set up Python ${{ matrix.python-version }}
- uses: actions/setup-python@v1
- with:
- python-version: ${{ matrix.python-version }}
- - name: Install package and dependencies
- run: |
- python -m pip install --upgrade pip
- pip install .
- pip install -r requirements.txt
- - name: Lint with flake8
- run: |
- pip install flake8
- # stop the build if there are Python syntax errors or undefined names
- flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics
- # exit-zero treats all errors as warnings.
- flake8 . --count --exit-zero --statistics
- - name: Test with pytest and coverage
- run: |
- pip install pytest coverage
- coverage run -m pytest
- coverage report
+  steps:
+  - uses: actions/checkout@v2
+  with:
+  token: ${{ secrets.INTEGRATIVE_KEY }}
+  submodules: true
+  - name: Set up Python ${{ matrix.python-version }}
+  uses: actions/setup-python@v1
+  with:
+  python-version: ${{ matrix.python-version }}
+  - name: Install package and dependencies
+  run: |
+  python -m pip install --upgrade pip
+  pip install .
+  pip install -r requirements.txt
+  - name: Lint with flake8
+  run: |
+  pip install flake8
+  # stop the build if there are Python syntax errors or undefined names
+  flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics
+  # exit-zero treats all errors as warnings.
+  flake8 . --count --exit-zero --statistics
+  - name: Test with pytest and coverage
+  run: |
+  pip install pytest coverage
+  coverage run -m pytest
+  coverage report
diff --git a/AUTHORS.rst b/AUTHORS.rst
diff --git a/CHANGELOG.rst b/CHANGELOG.rst
diff --git a/FAQ.rst b/FAQ.rst
diff --git a/INSTALL.rst b/INSTALL.rst
diff --git a/README.md b/README.md
@@ -0,0 +1,66 @@
+# Welcome to **overreact**!
+
+<div style="text-align:center;">
+
+![overreact](https://raw.githubusercontent.com/geem-lab/overreact-docs/master/logo.png)
+
+</div>
+
+**overreact** is a _library_ and a _command-line tool_ for creating and
+analyzing [microkinetic models](https://geem-lab.github.io/overreact-docs/#microkinetic).
+Data is parsed directly from computational chemistry output files thanks to
+[`cclib`](https://cclib.github.io/) (see the [list of supported programs](https://cclib.github.io/#summary)).
+
+## Installation
+
+**overreact** is a Python package, so you can easily install it with `pip`.
+See the [installation instructions](https://geem-lab.github.io/overreact-docs/install.html).
+
+## License
+
+**overreact** is open-source, released under the permissive **MIT license**.
+See [our LICENSE file](https://github.com/geem-lab/overreact/blob/main/LICENSE).
+
+## Citing **overreact**
+
+If you use **overreact** in your research, please cite:
+
+> F. S. S. Schneider and G. F. Caramori. _**overreact**: a tool for creating and analyzing microkinetic models built from computational chemistry data_. **2021**.
+> Available at: <https://github.com/geem-lab/overreact>.
+
+Here's the reference in [BibTeX](http://www.bibtex.org/) format:
+
+<!-- @article{overreact,
+ title = \textbf{overreact}: a tool for creating and analyzing microkinetic models built from computational chemistry data},
+ author = {Schneider, F. S. S. and Caramori, G. F.},
+ journal={J. Chem. Phys.},
+ volume={155},
+ number={1},
+ pages={0},
+ year = {2021},
+ publisher={American Chemical Society (ACS)},
+ doi={10.1063/1.5058983},
+ url={https://doi.org/10.1063/1.5058983}
+} -->
+
+```bibtex
+@misc{overreact2021,
+ title = {
+ \textbf{overreact}: a tool for creating and analyzing microkinetic models
+ built from computational chemistry data, ver. 1.0
+ },
+ author = {Schneider, F. S. S. and Caramori, G. F.},
+ year = 2021,
+ howpublished = {\url{https://github.com/geem-lab/overreact}}
+}
+```
+
+A paper describing **overreact** is currently being prepared.
+When it is published, the above BibTeX entry will be updated.
+
+## Funding
+
+This project was developed at the [GEEM lab](https://geem-ufsc.org/) ([Federal University of Santa
+Catarina](https://en.ufsc.br/), Brazil), and was partially funded by the
+[Brazilian National Council for Scientific and Technological Development (CNPq)](https://cnpq.br/),
+grant number 140485/2017-1.
diff --git a/README.rst b/README.rst
diff --git a/data b/data
diff --git a/docs/_sources/authors.rst.txt b/docs/_sources/authors.rst.txt
diff --git a/docs/_sources/changelog.rst.txt b/docs/_sources/changelog.rst.txt
diff --git a/docs/_sources/contributing.rst.txt b/docs/_sources/contributing.rst.txt
diff --git a/docs/_sources/faq.rst.txt b/docs/_sources/faq.rst.txt
diff --git a/docs/_sources/foreword.rst.txt b/docs/_sources/foreword.rst.txt
diff --git a/docs/_sources/index.rst.txt b/docs/_sources/index.rst.txt
diff --git a/docs/_sources/installation.rst.txt b/docs/_sources/installation.rst.txt
diff --git a/docs/_sources/license.rst.txt b/docs/_sources/license.rst.txt
diff --git a/docs/_sources/quickstart.rst.txt b/docs/_sources/quickstart.rst.txt