First release published

.github/workflows/python-package-conda.yml

@@ -1,6 +1,10 @@
 name: Python Package using Conda
 
-on: [push, pull_request]
+on:
+  push:
+    tags:
+      - 'v*.*.*'  # Trigger on version tags like v1.0.0
+  pull_request:
 
 jobs:
   build-linux:
@@ -52,6 +56,42 @@ jobs:
         python -m pip install pytest pytest-xdist
         pytest -n auto  # Utilize all available CPU cores for testing
 
+    - name: Build Conda Package
+      run: |
+        conda install conda-build
+        conda build .  # Build Conda package
+
+    - name: Publish to PyPI
+      if: github.ref_type == 'tag'  # Only publish on tagged releases
+      env:
+        TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }}
+        TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
+      run: |
+        python -m pip install --upgrade twine
+        twine upload dist/*  # Upload package to PyPI
+
+    - name: Publish to Anaconda
+      if: github.ref_type == 'tag'
+      env:
+        ANACONDA_TOKEN: ${{ secrets.ANACONDA_TOKEN }}
+      run: |
+        conda install anaconda-client
+        anaconda login --token $ANACONDA_TOKEN
+        anaconda upload path/to/your-package.tar.bz2  # Update with actual package path
+
+    - name: Clean up workspace
+      run: |
+        find . -name "*.so" -delete
+        find . -name "*.c" -delete
+        find . -name "*.cpp" -delete
+
+    - name: Upload pytest results
+      if: failure()  # Executes only if previous steps fail
+      uses: actions/upload-artifact@v3
+      with:
+        name: pytest-results
+        path: ./.pytest_cache/
+
     - name: Debugging Information
       if: failure()  # Executes only if previous steps fail
       run: |

.gitignore

@@ -25,6 +25,7 @@ share/python-wheels/
 .installed.cfg
 *.egg
 MANIFEST
+.pypirc
 
 # PyInstaller
 #  Usually these files are written by a python script from a template

doc/source/index.rst

@@ -89,7 +89,7 @@ function to ensure the model’s proper operation in various machine learning
 workflows:
 
 - **installation**:  
-  This subpackage provides all the necessary instructions to :ref:` install <installation>` and 
+  This subpackage provides all the necessary instructions to :ref:`install <installation>` and 
   configure the `hwm` package. It includes detailed steps for setting up 
   dependencies and environment requirements, ensuring users can get started 
   quickly and without hassle. It also includes troubleshooting tips for common