Release 0.5.5

.github/pull_request_template.md

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+### Description
+
+### Checklist
+If you're providing a new node for maize, please make sure of the following:
+- [ ] My node has been placed in an appropriate subfolder, and exposed in the corresponding `__init__.py` file
+- [ ] My node has tests (using `TestRig`, and testing a variety of inputs and parameters)
+- [ ] My node is fully documented using [ReST syntax](https://www.sphinx-doc.org/en/master/usage/restructuredtext/basics.html) and references if neccessary
+- [ ] My code passes type-checking using `mypy --strict --explicit-package-bases`
+- [ ] My code lints correctly
+- [ ] My code has been formatted with `black`, using a `line-length` of 100

.github/workflows/mypy.yml

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+name: Mypy
+
+on: [push, workflow_dispatch]
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.10"]
+    steps:
+    - uses: actions/checkout@v3
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v3
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Install dependencies
+      run: |
+        wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh |
+            bash -s -- --batch
+        conda env create -f env-dev.yml
+        conda run --name maize-dev pip install --no-deps .
+        conda run --name maize-dev pip install types-PyYAML types-toml
+    - name: Analysing the code with mypy
+      run: |
+        conda run --name maize-dev mypy --strict --explicit-package-bases maize/steps maize/utilities

.github/workflows/pylint.yml

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+name: Pylint
+
+on: [push, workflow_dispatch]
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.10"]
+    steps:
+    - uses: actions/checkout@v3
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v3
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Install dependencies
+      run: |
+        wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh |
+            bash -s -- --batch
+        conda env create -f env-dev.yml
+        conda run --name maize-dev pip install --no-deps .
+    - name: Analysing the code with pylint
+      run: |
+        conda run --name maize-dev pylint --exit-zero maize/steps maize/utilities

.github/workflows/test-docking.yml

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+# This workflow will install Python dependencies, run tests and lint with a single version of Python
+# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python
+
+name: Test-docking
+
+on:
+  push:
+    branches: [ "master" ]
+  pull_request:
+    branches: [ "master" ]
+  workflow_dispatch:
+
+permissions:
+  contents: read
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.10"]
+    steps:
+    - uses: actions/checkout@v3
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v3
+      with:
+        python-version: ${{ matrix.python-version }}
+    - name: Install dependencies
+      run: |
+        wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh |
+            bash -s -- --batch
+        conda env create -v -f env-dev.yml
+        conda run --name maize-dev pip install --no-deps .
+        conda run --name maize-dev ./devtools/install_test_deps.sh
+    - name: Run docking test with pytest
+      run: |
+        conda run --name maize-dev pytest tests/test_docking.py

.gitignore

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+.ipynb_checkpoints
+.VSCodeCounter
+__pycache__
+*.egg-info
+.coverage
+.vscode
+.pylintrc
+.env
+.*_cache
+*_autosummary
+coverage
+docs/_build
+docs/_static
+docs/autosummary
+docs/Makefile
+docs/make.bat
+/test-config.toml
+test
+testing.ipynb
+deplicenses.txt
+build

AUTHORS.md

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+Primary Authors
+===============
+- [Thomas Löhr](https://github.com/tlhr)
+- Marco Klähn
+
+Contributing Authors
+====================
+- Michele Assante
+- Lili Cao
+- Michael Dodds
+- Jon Paul Janet
+- Mikhail Kabeshov
+- Alessandro Tibo