Merge pull request #190 from basf/develop

SAINT, preprocessing, formatting, bug fixes etc.

Author: mkumar73

.github/ISSUE_TEMPLATE/bug_report.md

@@ -25,4 +25,4 @@ If applicable, add screenshots to help explain your problem.
  - Mambular Version [e.g. 0.1.2]
 
 **Additional context**
-Add any other context about the problem here.
+Add any other context about the problem here.

.github/ISSUE_TEMPLATE/config.yml

@@ -1 +1 @@
-blank_issues_enabled: false
+blank_issues_enabled: false

.github/ISSUE_TEMPLATE/doc_request.md

@@ -8,4 +8,4 @@ assignees: ''
 ---
 
 **Description of the question**
-A clear and concise description of what should be documented.
+A clear and concise description of what should be documented.

.github/ISSUE_TEMPLATE/feature_request.md

@@ -17,4 +17,4 @@ A clear and concise description of what you want to happen.
 A clear and concise description of any alternative solutions or features you've considered.
 
 **Additional context**
-Add any other context or screenshots about the feature request here.
+Add any other context or screenshots about the feature request here.

.github/ISSUE_TEMPLATE/question.md

@@ -14,4 +14,4 @@ Gives some context if needed (environment, system, hardware).
 A clear and concise description of what the task is.
 
 **Describe the solution you'd like**
-A clear and concise description of what you want to happen.
+A clear and concise description of what you want to happen.

.github/workflows/build-publish-pypi.yml

@@ -6,7 +6,7 @@ on:
       - release
 
 jobs:
-  publish:
+  build-publish:
     runs-on: ubuntu-latest
 
     steps:
@@ -18,15 +18,19 @@ jobs:
         with:
           python-version: "3.8"
 
-      - name: Install dependencies
+      - name: Install Poetry
         run: |
-          python -m pip install --upgrade pip
-          pip install setuptools wheel twine
+          curl -sSL https://install.python-poetry.org | python3 -
+          export PATH="$HOME/.local/bin:$PATH"
+
+      - name: Install dependencies
+        run: poetry install
 
-      - name: Build and publish package
+      - name: Build package
+        run: poetry build
+
+      - name: Publish to PyPI
         env:
           TWINE_USERNAME: __token__
           TWINE_PASSWORD: ${{ secrets.PYPI_TOKEN }}
-        run: |
-          python setup.py sdist bdist_wheel
-          twine upload dist/*
+        run: poetry publish --username $TWINE_USERNAME --password $TWINE_PASSWORD

.gitignore

@@ -172,4 +172,5 @@ examples/lightning_logs
 docs/_build/doctrees/*
 docs/_build/html/*
 
+
 dev/*

.pre-commit-config.yaml

@@ -0,0 +1,31 @@
+exclude: "^$"
+fail_fast: false
+default_stages: [commit, push]
+repos:
+  - repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v4.5.0
+    hooks:
+      - id: check-case-conflict
+      - id: check-merge-conflict
+      - id: end-of-file-fixer
+      - id: mixed-line-ending
+      - id: trailing-whitespace
+        args: [--markdown-linebreak-ext=md]
+
+  - repo: https://github.com/charliermarsh/ruff-pre-commit
+    rev: v0.1.14
+    hooks:
+      - id: ruff-format
+        types_or: [python, pyi, jupyter]
+      - id: ruff
+        types_or: [python, pyi, jupyter]
+        args: [ --fix, --exit-non-zero-on-fix ]
+
+  - repo: https://github.com/pre-commit/mirrors-prettier
+    rev: v4.0.0-alpha.8
+    hooks:
+      - id: prettier
+        types:
+          - yaml
+          - markdown
+          - json

.vscode/settings.json

@@ -0,0 +1,10 @@
+{
+    "editor.formatOnSave": true,
+    "editor.codeActionsOnSave": {
+        "source.organizeImports": "explicit",
+        "source.fixAll": "explicit"
+    },
+    "[python]": {
+        "editor.defaultFormatter": "charliermarsh.ruff"
+    },
+}

docs/codeofconduct.md CODE_OF_CONDUCT.mddocs/codeofconduct.md renamed to CODE_OF_CONDUCT.md

@@ -1,6 +1,7 @@
+
 # Code of Conduct
 
-- **Purpose**:  The purpose of this Code of Conduct is to establish a welcoming and inclusive community around the `Mambular` project. We want to foster an environment where everyone feels respected, valued, and able to contribute to the project.
+- **Purpose**:  The purpose of this Code of Conduct is to establish a welcoming and inclusive community around the `STREAM` project. We want to foster an environment where everyone feels respected, valued, and able to contribute to the project.
 
 - **Openness and Respect**: We strive to create an open and respectful community where everyone can freely express their opinions and ideas. We encourage constructive discussions and debates, but we will not tolerate any form of harassment, discrimination, or disrespectful behavior.