make the template use more of the template

Author: a.pirogov

.github/workflows/ci.yml

@@ -147,4 +147,4 @@ jobs:
     with:
       to_github: true
       to_test_pypi: false
-      to_pypi: true
+      to_pypi: false

.gitlab-ci.yml

@@ -1,7 +1,10 @@
+exclude: "^{{ cookiecutter.*"  # <-- added
+# ---- copy from template below ----
 # See https://pre-commit.com for more information
 # See https://pre-commit.com/hooks.html for more hooks
-exclude: "^{{ cookiecutter.*"
 repos:
+
+  # Various general + format-specific helpers
   - repo: https://github.com/pre-commit/pre-commit-hooks
     rev: v4.4.0
     hooks:
@@ -10,6 +13,7 @@ repos:
     - id: mixed-line-ending
       args: [--fix=lf]
     - id: check-yaml
+      exclude: 'mkdocs.yml'
     - id: check-toml
     - id: check-json
     - id: check-ast
@@ -26,23 +30,51 @@ repos:
     rev: '5.12.0'
     hooks:
       - id: isort
-        args: ["--profile", "black"]
+        args: ['--profile', 'black']
   - repo: https://github.com/ambv/black
     rev: '23.1.0'
     hooks:
       - id: black
+  - repo: https://github.com/PyCQA/autoflake
+    rev: v2.1.1
+    hooks:
+    -   id: autoflake
+
+  # Quality
   - repo: https://github.com/pycqa/flake8
     rev: '6.0.0'
     hooks:
       - id: flake8
-        additional_dependencies: [Flake8-pyproject,flake8-docstrings]
+        additional_dependencies:
+          - Flake8-pyproject==1.2.3
+          - flake8-bugbear==23.3.23
+          - dlint==0.14.1
+  - repo: https://github.com/pycqa/pydocstyle
+    rev: '6.3.0'
+    hooks:
+      - id: pydocstyle
+        additional_dependencies: ["tomli==2.0.1"]
+        files: "^src/"
+  - repo: https://github.com/econchick/interrogate
+    rev: "1.5.0"
+    hooks:
+      - id: interrogate
+        files: "^src/"
   - repo: https://github.com/pre-commit/mirrors-mypy
     rev: 'v1.1.1'
     hooks:
       - id: mypy
         args: [--no-strict-optional, --ignore-missing-imports]
         # NOTE: you might need to add some deps here:
         additional_dependencies: []
+  - repo: https://github.com/PyCQA/bandit
+    rev: '1.7.5'
+    hooks:
+    - id: bandit
+      args: ['-q', '-c', 'pyproject.toml']
+      additional_dependencies: [ '.[toml]' ]
+
+  # Metadata
   - repo: https://github.com/citation-file-format/cff-converter-python
     rev: '44e8fc9'
     hooks:
@@ -52,11 +84,8 @@ repos:
     hooks:
       - id: reuse
 
-  # - repo: local
-  #   hooks:
-  #     - id: update-codemeta
-  #       name: update-codemeta
-  #       language: python
-  #       additional_dependencies: ["codemetapy==2.4.1"]
-  #       entry: update-codemeta codemeta.json
-  #       files: ^pyproject.toml$
+  - repo: https://github.com/Materials-Data-Science-and-Informatics/dev-utils
+    rev: 'v0.1.0'
+    hooks:
+      - id: update-codemeta
+        files: ^pyproject.toml$

.gitlab/issue_templates/Default.md

@@ -1,17 +1,16 @@
 Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/
 Upstream-Name: fair-python-cookiecutter
 Upstream-Contact: Anton Pirogov <a.pirogov@fz-juelich.de>
-Source: https://jugit.fz-juelich.de/ias-9/metador/ias9-dev-general/fair-python-cookiecutter
-
-Files: .gitignore pyproject.toml poetry.lock .pre-commit-config.yaml codemeta.json CITATION.cff README.md .gitlab-ci.yml .gitlab/* .github/*
-Copyright: $YEAR $NAME <$CONTACT>
-License: Unlicense
+Source: https://github.com/Materials-Data-Science-and-Informatics/fair-python-cookiecutter
 
 Files: {{ cookiecutter*
-Copyright: $YEAR $NAME <$CONTACT>
-License: Unlicense
+Copyright: 2023 Forschungszentrum Jülich GmbH - Institute for Materials Data Science and Informatics (IAS9) - Stefan Sandfeld <s.sandfeld@fz-juelich.de>
+License: CC0-1.0
+
+Files: .gitignore pyproject.toml poetry.lock .pre-commit-config.yaml codemeta.json CITATION.cff README.md RELEASE_NOTES.md CHANGELOG.md CODE_OF_CONDUCT.md AUTHORS.md CONTRIBUTING.md .github/* mkdocs.yml docs/*
+Copyright: 2023 Forschungszentrum Jülich GmbH - Institute for Materials Data Science and Informatics (IAS9) - Stefan Sandfeld <s.sandfeld@fz-juelich.de>
+License: CC0-1.0
 
 Files: tests/* hooks/*
-Copyright: $YEAR $NAME <$CONTACT>
+Copyright: 2023 Forschungszentrum Jülich GmbH - Institute for Materials Data Science and Informatics (IAS9) - Stefan Sandfeld <s.sandfeld@fz-juelich.de>
 License: MIT
-

.gitlab/issue_templates/bug_report.md

@@ -0,0 +1,28 @@
+# Authors and Contributors
+
+**Main authors** are persons whose contributions significantly shaped
+the state of the software at some point in time.
+
+**Additional contributors** are persons who are not main authors,
+but contributed non-trivially to this project,
+e.g. by providing smaller fixes and enhancements to the code and/or documentation.
+
+Of course, this is just a rough overview and categorization.
+For a more complete overview of all contributors and contributions,
+please inspect the git history of this repository.
+
+## Main Authors
+
+- Anton Pirogov (
+    [E-Mail](mailto:a.pirogov@fz-juelich.de),
+    [ORCID](https://orcid.org/0000-0002-5077-7497)
+  ): original author
+
+## Additional Contributors
+
+<!--
+- Name (E-mail, ORCID):
+Summary of contribution
+-->
+
+... maybe **[you](https://materials-data-science-and-informatics.github.io/fair-python-cookiecutter/main/contributing)**?

.gitlab/issue_templates/feature_request.md

@@ -0,0 +1,10 @@
+# Changelog
+
+Here we provide notes that summarize the most important changes in each released version.
+
+Please consult the changelog to inform yourself about breaking changes and security issues.
+
+## [v0.1.0](https://github.com/Materials-Data-Science-and-Informatics/fair-python-cookiecutter/tree/v0.1.0) <small>(2023-05-11)</small> { id="0.1.0" }
+
+* First release
+

.pre-commit-config.yaml

@@ -0,0 +1,24 @@
+cff-version: 1.2.0
+type: software
+message: If you use this software, please cite it using this metadata.
+
+title: "fair-python-cookiecutter"
+version: "0.1.0"
+abstract: "An opinionated cookiecutter template to kickstart a modern best-practice Python project with FAIR metadata. "
+repository-code: "https://github.com/Materials-Data-Science-and-Informatics/fair-python-cookiecutter"
+license: "MIT"
+keywords: [
+    "fair",
+    "metadata",
+    "python",
+    "cookiecutter",
+    "template"
+]
+
+authors:
+  - family-names: "Pirogov"
+    given-names: "Anton"
+    email: "a.pirogov@fz-juelich.de"
+    orcid: "https://orcid.org/0000-0002-5077-7497"
+    affiliation: "Forschungszentrum Jülich GmbH - Institute for Materials Data Science and Informatics (IAS9)"
+