Add GitHub Actions workflow for Docker images

.github/dependabot.yml

@@ -0,0 +1,6 @@
+version: 2
+updates:
+  - package-ecosystem: "github-actions"
+    directory: "/"
+    schedule:
+      interval: "weekly"

.github/workflows/docker.yml

@@ -0,0 +1,58 @@
+name: Create and publish Docker images
+
+on:
+  push: { branches: [ unstable ] }
+  pull_request: { branches: [ unstable ] }
+  workflow_call:
+  workflow_dispatch:
+
+jobs:
+  build-and-push-image:
+    runs-on: ubuntu-latest
+    permissions:
+      contents: read
+      packages: write
+
+    strategy:
+      fail-fast: false
+      matrix:
+        include:
+        - name: github_ci
+        #- name: jenkins_ci # flatironinstitute/cthyb:master-ubuntu-clang not accessible
+        #- name: mpich # outdated dependencies (GCC too old, need to install LLVM)
+        - name: openmpi
+        #- name: triqs_default # flatironinstitute/triqs:unstable-ubuntu-clang not accessible
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v4
+
+      - name: Setup Docker buildx
+        uses: docker/setup-buildx-action@v3
+
+      - name: Log in to the Container registry
+        if: github.event_name != 'pull_request'
+        uses: docker/login-action@v3
+        with:
+          registry: ghcr.io
+          username: ${{ github.actor }}
+          password: ${{ secrets.GITHUB_TOKEN }}
+
+      - name: Extract metadata (tags, labels) for Docker
+        id: meta
+        uses: docker/metadata-action@v5
+        with:
+          images: ghcr.io/${{ github.repository }}_${{ matrix.name }}
+
+      - name: Build and push Docker image
+        uses: docker/build-push-action@v5
+        with:
+          context: ./Docker
+          file: ./Docker/${{ matrix.name }}_dockerfile
+          build-args: |
+            NCORES=2
+          push: ${{ github.event_name != 'pull_request' }}
+          tags: ${{ steps.meta.outputs.tags }}
+          labels: ${{ steps.meta.outputs.labels }}
+          cache-from: type=gha
+          cache-to: type=gha,mode=max

Docker/github_ci_dockerfile

@@ -81,6 +81,9 @@ ENV CPATH=/triqs/include:${CPATH} \
     LD_LIBRARY_PATH=/triqs/lib:${LD_LIBRARY_PATH} \
     PYTHONPATH=/triqs/lib/python3.10/site-packages:${PYTHONPATH} \
     CMAKE_PREFIX_PATH=/triqs/share/cmake:${CMAKE_PREFIX_PATH} \
+    CMAKE_BUILD_PARALLEL_LEVEL=${NCORES} \
+    CTEST_OUTPUT_ON_FAILURE=1 \
+    CTEST_PARALLEL_LEVEL=${NCORES} \
     TRIQS_ROOT=/triqs
 
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/triqs \

Docker/openmpi_dockerfile

@@ -159,12 +159,15 @@ RUN cd /source && wget --quiet https://gitlab.com/QEF/q-e/-/archive/qe-7.2/q-e-q
 #ENV PATH=/vasp/bin:${PATH}
 
 # triqs
-ENV CPATH=/triqs/include:${CPATH} \
+ENV CPATH=/triqs/include:/usr/include/mkl:${CPATH} \
     PATH=/triqs/bin:${PATH} \
     LIBRARY_PATH=/triqs/lib:${LIBRARY_PATH} \
     LD_LIBRARY_PATH=/triqs/lib:${LD_LIBRARY_PATH} \
     PYTHONPATH=/triqs/lib/python3.10/site-packages:${PYTHONPATH} \
     CMAKE_PREFIX_PATH=/triqs/share/cmake:${CMAKE_PREFIX_PATH} \
+    CMAKE_BUILD_PARALLEL_LEVEL=${NCORES} \
+    CTEST_OUTPUT_ON_FAILURE=1 \
+    CTEST_PARALLEL_LEVEL=${NCORES} \
     TRIQS_ROOT=/triqs
 
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/triqs triqs.src \