Add Dockerfile

.dockerignore

@@ -0,0 +1,7 @@
+/.*
+build
+doc
+tutorial
+extra
+archive
+*.md

.github/workflows/containers.yml

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+name: "Tests with Containers"
+
+on:
+  push:
+    branches:
+      - master
+  pull_request:
+    branches:
+      - master
+      - dev
+      - hotfixes
+
+jobs:
+  build-test:
+    runs-on: ubuntu-latest
+    strategy:
+      max-parallel: 10
+      fail-fast: true
+      matrix:
+        python-version: ['3.7','3.8','3.9','3.10']
+        platform: ['core', 'full'] # ['pycuda', 'cupy']
+    name: Testing ${{ matrix.platform }}/python=${{ matrix.python-version }}
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+      - name: Set up Docker Buildx
+        uses: docker/setup-buildx-action@v2
+      - name: Build Image
+        uses: docker/build-push-action@v4
+        with:
+          context: .
+          tags: ptypy_${{ matrix.platform }}_py${{ matrix.python-version }}_dev:latest
+          load: true
+          cache-from: type=gha
+          cache-to: type=gha,mode=max
+          target: runtime
+          build-args: |
+            PYTHON_VERSION=${{ matrix.python-version }}
+            PLATFORM=${{ matrix.platform }}
+      - name: Run test inside container
+        run: docker run ptypy_${{ matrix.platform }}_py${{ matrix.python-version }}_dev:latest pytest
+
+  flake8-lint:
+    runs-on: ubuntu-latest
+    name: Lint
+    steps:
+      - name: Check out source repository
+        uses: actions/checkout@v3
+      - name: Set up Python environment
+        uses: actions/setup-python@v4
+        with:
+          python-version: "3.10"
+      - name: flake8 Lint
+        uses: py-actions/flake8@v2
+        with:
+          max-line-length: "120"
+          exclude: "./archive,./benchmark"
+          args: "--count --select=E9,F63,F7,F82 --show-source --statistics"

.github/workflows/test.yml

@@ -9,8 +9,8 @@ on:
   pull_request:
     branches:
       - master
-      - dev
-      - hotfixes
+#      - dev
+#      - hotfixes
   # Also trigger on page_build, as well as release created events
   page_build:
   release:

Dockerfile

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+# Set global build arguments
+ARG PLATFORM=cupy
+n
+# Pull from miniconda image and install core dependencies
+FROM continuumio/miniconda3 as core
+
+# Basic conda installation
+COPY ./dependencies_core.yml ./dependencies.yml
+RUN conda env update -n base -f dependencies.yml && conda install -y -n base pytest
+
+# Pull from miniconda image and install full dependencies
+FROM condaforge/mambaforge as full
+
+ENV DEBIAN_FRONTEND=noninteractive
+RUN apt-get update && apt-get install -y libxml2 ssh
+COPY ./dependencies_full.yml ./dependencies.yml
+RUN mamba env update -n base -f dependencies.yml && mamba install -y -n base pytest
+
+# Pull mambaforge image and install accelerate/pycuda dependencies
+FROM condaforge/mambaforge as pycuda
+
+ENV DEBIAN_FRONTEND=noninteractive
+RUN apt-get update && apt-get install -y libxml2 ssh
+COPY ./ptypy/accelerate/cuda_pycuda/dependencies.yml ./dependencies.yml
+COPY ./cufft/dependencies.yml ./dependencies_cufft.yml
+RUN mamba env update -n base -f dependencies.yml && mamba env update -n base -f dependencies_cufft.yml
+
+# Pull mambaforge image and install accelerate/cupy dependencies
+FROM condaforge/mambaforge as cupy
+
+ENV DEBIAN_FRONTEND=noninteractive
+RUN apt-get update && apt-get install -y libxml2 ssh
+COPY ./ptypy/accelerate/cuda_cupy/dependencies.yml ./dependencies.yml
+COPY ./cufft/dependencies.yml ./dependencies_cufft.yml
+RUN mamba env update -n base -f dependencies.yml && mamba env update -n base -f dependencies_cufft.yml
+
+# Pull from existing image with ptypy dependencies and set up testing
+FROM ${PLATFORM} as runtime
+COPY ./ ./
+RUN pip install .
+RUN if [ "$PLATFORM" = "pycuda" ] || [ "$PLATFORM" = "cupy" ] ; then pip install ./cufft ; fi
+
+# Run PtyPy CLI as entrypoint
+ENTRYPOINT ["ptypy.cli"]