Example workflow for win - Restructuring for build

Author: spollok

.github/workflows/customized-win-shells.yml

@@ -24,7 +24,7 @@ jobs:
       shell: bash -el {0}
       working-directory: ${{ github.workspace }}/source/MagTenseFortranCuda/cuda
       run: |
-        nvcc -c MagTenseCudaBlas.cu -ccbin "C:\Program Files\Microsoft Visual Studio\2022\Enterprise\VC\Tools\MSVC\14.42.34433\bin\Hostx64\x64" -o MagTenseCudaBlas.o
+        nvcc -c MagTenseCudaBlas.cu -ccbin "C:\Program Files\Microsoft Visual Studio\2022\Enterprise\VC\Tools\MSVC\14.42.34438\bin\Hostx64\x64" -o MagTenseCudaBlas.o
 
     - name: Run Developer PowerShell for VS 2022
       shell: pwsh -NoExit -ExecutionPolicy ByPass -File {0}

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

@@ -11,6 +11,8 @@ jobs:
     defaults:
       run:
         shell: bash -el {0}
+    env:
+      build_file: python/.build/env-${{ matrix.py-version }}-linux.yml
 
     steps:
     - name: Checkout repository
@@ -27,18 +29,15 @@ jobs:
       uses: actions/cache@v4
       env:
         # Increase this value to reset cache manually
-        CACHE_NUMBER: 0
+        cache_number: 0
       with:
         path: ${{ env.CONDA }}/envs
-        key: conda-${{ runner.os }}-${{hashFiles('python/build_env_linux.yml') }}-${{ env.CACHE_NUMBER }}
+        key: conda-${{ runner.os }}-${{ hashFiles(env.build_file) }}-${{ env.cache_number }}
       id: cache
 
     - name: Update environment
-      run: conda env update -n magtense-env -f python/build_env_linux.yml
+      run: conda env update -n magtense-env -f ${{ env.build_file }}
       if: steps.cache.outputs.cache-hit != 'true'
-
-    - name: Install chrpath
-      run: sudo apt install -y chrpath
 
     - name: Create directory for wrappers of compiled Fortran source code
       run: |
@@ -57,7 +56,7 @@ jobs:
 
     - name: Build pip-wheels
       working-directory: ${{ github.workspace }}/python/
-      run: python scripts/dist_pypi.py
+      run: python .build/dist_pypi.py
 
     - name: cpu - Archive pip-wheel
       uses: actions/upload-artifact@v4

.github/workflows/matlab_package.yml

@@ -34,7 +34,7 @@ jobs:
       uses: conda-incubator/setup-miniconda@v3
       with:
         activate-environment: magtense-env
-        environment-file: python/environment_linux.yml
+        environment-file: python/.build/environment_linux.yml
         python-version: 3.12
         auto-activate-base: false
 

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

@@ -0,0 +1,54 @@
+name: Win - Python package using conda / pip
+
+on: [push]
+
+jobs:
+  build-win:
+    runs-on: windows-latest
+
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Conda with Python 3.12
+      uses: conda-incubator/setup-miniconda@v3
+      with:
+        activate-environment: magtense-env
+        environment-file: python/environment_win.yml
+        python-version: 3.12
+        auto-activate-base: false
+
+    - name: Compile Fortran files in Developer PowerShell for VS 2022
+      shell: pwsh -NoExit -ExecutionPolicy ByPass -File {0}
+      run: |
+        cd "C:\Program Files\Microsoft Visual Studio\2022\Enterprise\Common7\Tools\"
+        .\Launch-VsDevShell.ps1
+        cd ${{ github.workspace }}/python/src/magtense/lib/
+        make ps
+    
+    - name: Compile with nvcc in x64 Native Tools Command Prompt for VS 2022
+      shell: cmd /k "{0}" -arch=amd64 -host_arch=x64
+      working-directory: ${{ github.workspace }}/source/MagTenseFortranCuda/cuda
+      run: |
+        call "C:\Program Files\Microsoft Visual Studio\2022\Enterprise\Common7\Tools\VsDevCmd.bat"
+        nvcc -c MagTenseCudaBlas.cu -o MagTenseCudaBlas.o
+
+    - name: Link Cuda wrapper in Developer PowerShell for VS 2022
+      shell: pwsh -NoExit -ExecutionPolicy ByPass -File {0}
+      run: |
+        cd "C:\Program Files\Microsoft Visual Studio\2022\Enterprise\Common7\Tools\"
+        .\Launch-VsDevShell.ps1
+        cd ${{ github.workspace }}/source/MagTenseFortranCuda/cuda
+        make wrap
+
+    - name: Build Python wrapper in Command Prompt
+      shell: cmd /C CALL {0}
+      working-directory: ${{ github.workspace }}/python/src/magtense/lib/
+      run: >-
+        make cmdx64
+
+    - name: Install local magtense package with pip
+      run: python -m pip install -e ${{ github.workspace }}/python
+
+    - name: Test with pytest
+      run: |
+        conda install pytest
+        pytest

.gitignore

@@ -59,6 +59,11 @@ ipch/
 *.sdf
 *.cachefile
 
+# Visual Studio
+.vs/MagTense/v17/
+.vs/MagTense/CopilotIndices/
+*.vsidx
+
 # Visual Studio profiler
 *.psess
 *.vsp
@@ -187,17 +192,11 @@ docs/source/_build
 *.vtuneproj
 *.prj
 
-*.vsidx
+*.msg
 *.lock
 
 # Notebooks
 nbs/
 
 # Virtual environment
 .venv*/
-
-.vs/MagTense/v17/
-
-.vs/MagTense/CopilotIndices/
-
-*.msg

python/scripts/dist_conda.py python/.build/dist_conda.py

@@ -62,6 +62,7 @@ def main(py_versions):
                     subprocess.run(
                         [
                             "patchelf",
+                            "--force-rpath",
                             "--set-rpath",
                             "$ORIGIN/../../../../../lib",
                             lib_path,
@@ -71,12 +72,15 @@ def main(py_versions):
                     subprocess.run(
                         [
                             "patchelf",
+                            "--force-rpath",
                             "--set-rpath",
                             "$ORIGIN/../../../../../lib:$ORIGIN/../../nvidia/cublas/lib/:$ORIGIN/../../nvidia/cuda_runtime/lib/:$ORIGIN/../../nvidia/cusparse/lib/",
                             lib_path,
                         ]
                     )
-            subprocess.run(["cp", f"requirements-{cuda}.txt", "requirements.txt"])
+            subprocess.run(
+                ["cp", f".build/requirement-{py}-{cuda}.txt", "requirements.txt"]
+            )
             subprocess.run(["python3", "-m", "build", "--wheel"])
             subprocess.run(
                 [

python/scripts/dist_pypi.py python/.build/dist_pypi.py

@@ -9,6 +9,8 @@ __pycache__/
 # Distribution / packaging
 .Python
 build/
+cpu_libs/
+cu12_libs/
 develop-eggs/
 dist/
 downloads/

python/build_env_linux.yml python/.build/env-312-linux.yml

@@ -176,7 +176,7 @@ Libraries have to be pre-build for now, and should be located in `MagTense/pytho
 python3 -m pip install build
 
 cd python/
-python scripts/dist_pypi.py
+python .build/dist_pypi.py
 
 # Upload to pypi.org
 python3 -m pip install twine
@@ -202,12 +202,12 @@ conda config --env --append channels https://software.repos.intel.com/python/con
 conda config --env --append channels conda-forge
 
 # Quick fix for now
-# Copy pre-compiled Python extension to MagTense/python/src/magtense/lib
+# Copy pre-compiled Python extension to python/src/magtense/lib
 # Build conda seperately for each version
 
 # Version numbers have to be set in advance in pyproject.toml
-cd MagTense/python/
-python scripts/dist_conda.py
+cd python/
+python .build/dist_conda.py
 ```
 
 ## Read-in customized M-H-curve