ci: Edit Dockerfile.petsc, add docker-petsc.yml and clean up pytest-petsc.yml

Author: ZoeLeibowitz

.github/workflows/docker-petsc.yml

@@ -0,0 +1,47 @@
+name: Publish devito-petsc docker image
+
+permissions:
+  contents: read
+
+on:
+  push:
+    branches:
+      - petsc         # Push events on petsc branch
+
+jobs:
+  build-and-push:
+    name: Build and push devito-petsc image
+    runs-on: ubuntu-latest
+    env:
+      # Use buildkit
+      DOCKER_BUILDKIT: "1"
+
+    steps:
+      - name: Checkout devito
+        uses: actions/checkout@v5
+
+      - name: Set up QEMU
+        uses: docker/setup-qemu-action@v3
+
+      - name: Set up Docker Buildx
+        uses: docker/setup-buildx-action@v3
+
+      - name: Log in to DockerHub
+        uses: docker/login-action@v3
+        with:
+          username: ${{ secrets.DOCKER_USERNAME }}
+          password: ${{ secrets.DOCKER_PASSWORD }}
+
+      - name: Build & push petsc image
+        uses: docker/build-push-action@v6
+        with:
+          context: .
+          file: docker/Dockerfile.petsc
+          push: true
+          tags: |
+            devitocodes/devito-petsc:latest
+          build-args: base=devitocodes/devito:gcc-dev-amd64
+          platforms: linux/amd64
+
+      - name: Remove dangling layers
+        run: docker system prune -f

.github/workflows/pytest-petsc.yml

@@ -18,7 +18,7 @@ on:
 
 jobs:
   pytest:
-    name: ${{ matrix.name }}-${{ matrix.set }}
+    name: ${{ matrix.name }}
     runs-on: "${{ matrix.os }}"
 
     env:
@@ -30,17 +30,13 @@ jobs:
       # Prevent all build to stop if a single one fails
       fail-fast: false
 
+      # To be extended
       matrix:
-        name: [
-           pytest-docker-py39-gcc-noomp
-        ]
         include:
-        - name: pytest-docker-py39-gcc-noomp
-          python-version: '3.9'
+        - name: pytest-petsc
           os: ubuntu-latest
           arch: "gcc"
           language: "C"
-          sympy: "1.12"
 
     steps:
     - name: Checkout devito
@@ -54,11 +50,11 @@ jobs:
 
     - name: Build docker image
       run: |
-          docker build -f docker/Dockerfile.devito --build-arg base=zoeleibowitz/petsc_image:latest --tag zoeleibowitz/petsc_devito_image:latest .
+          docker build -f docker/Dockerfile.petsc --tag devito_petsc_image:test .
 
     - name: Set run prefix
       run: |
-          echo "RUN_CMD=docker run --rm -t -e CODECOV_TOKEN=${{ secrets.CODECOV_TOKEN }} --name testrun zoeleibowitz/petsc_devito_image:latest"  >> $GITHUB_ENV
+          echo "RUN_CMD=docker run --rm -t -e CODECOV_TOKEN=${{ secrets.CODECOV_TOKEN }} --name testrun devito_petsc_image:test"  >> $GITHUB_ENV
       id: set-run
 
     - name: Set tests

devito/petsc/config.py

@@ -2,7 +2,13 @@
 import ctypes
 from pathlib import Path
 
-from petsctools import get_petscvariables, MissingPetscException
+try:
+    from petsctools import get_petscvariables, MissingPetscException
+    petsc_variables = get_petscvariables()
+except ImportError:
+    petsc_variables = {}
+except MissingPetscException:
+    petsc_variables = {}
 
 from devito.tools import memoized_func
 
@@ -46,12 +52,6 @@ def core_metadata():
     }
 
 
-try:
-    petsc_variables = get_petscvariables()
-except MissingPetscException:
-    petsc_variables = {}
-
-
 def get_petsc_type_mappings():
     try:
         petsc_precision = petsc_variables['PETSC_PRECISION']

devito/petsc/solver_parameters.py

@@ -1,7 +1,11 @@
 import itertools
 
-from petsctools import flatten_parameters
-
+try:
+    from petsctools import flatten_parameters
+except ImportError:
+    # TODO: drop
+    def flatten_parameters():
+        raise ImportError("petsctools is not installed")
 
 # NOTE: Will be extended, the default preconditioner is not going to be 'none'
 base_solve_defaults = {

docker/Dockerfile.petsc

@@ -2,27 +2,40 @@
 # Dockerfile.petsc: Installs PETSc
 ##############################################################
 
-# Base image with compilers
-# TODO: to be updated, but made some additions to Dockerfile.cpu so need to
-# use the one from my dockerhub
-ARG base=zoeleibowitz/bases:cpu-gcc
+ARG base=devitocodes/devito:gcc-dev-amd64
 
 FROM $base
 
-RUN apt-get update && apt-get install -y \
-    git gfortran pkgconf libopenblas-serial-dev && \
-    python3 -m venv /venv && \
-    /venv/bin/pip install --no-cache-dir --upgrade pip && \
-    /venv/bin/pip install --no-cache-dir --no-binary numpy numpy && \
+USER root
+
+RUN python3 -m venv /venv && \
     mkdir -p /opt/petsc && \
     cd /opt/petsc && \
-    git clone -b v3.23.0 https://gitlab.com/petsc/petsc.git petsc && \
+    git clone -b v3.24.0 https://gitlab.com/petsc/petsc.git petsc && \
     cd petsc && \
     ./configure --with-fortran-bindings=0 --with-mpi-dir=/opt/openmpi \
                 --with-openblas-include=$(pkg-config --variable=includedir openblas) \
                 --with-openblas-lib=$(pkg-config --variable=libdir openblas)/libopenblas.so \
                 PETSC_ARCH=devito_build && \
     make all
 
+# Remove existing devito 
+RUN rm -rf /app/devito/.git
+
+# Copy Devito from petsc branch
+ADD . /app/devito
+
+# Remove git files
+RUN rm -rf /app/devito/.git
+
+# Mpi4py
+RUN eval "$MPI4PY_FLAGS /venv/bin/pip install --no-cache-dir --verbose -r /app/devito/requirements-mpi.txt"
+
+# Install Devito with petsc requirements
+RUN /venv/bin/pip install --no-cache-dir -e /app/devito[extras,tests,petsc] && rm -rf ~/.cache/pip
+
 ENV PETSC_DIR="/opt/petsc/petsc"
 ENV PETSC_ARCH="devito_build"
+
+# Switch back to non-root user
+USER app

pyproject.toml

@@ -61,6 +61,7 @@ mpi    = { file = ["requirements-mpi.txt"] }
 nvidia = { file = ["requirements-nvidia.txt"] }
 tests  = { file = ["requirements-testing.txt"] }
 extras = { file = ["requirements-optional.txt"] }
+petsc  = { file = ["requirements-petsc.txt"] }
 
 [tool.setuptools.packages.find]
 where   = ["."]

requirements-petsc.txt

@@ -0,0 +1 @@
+petsctools<=2025.1

requirements.txt

@@ -8,4 +8,3 @@ codepy>=2019.1,<2025
 multidict<6.3
 anytree>=2.4.3,<=2.13.0
 packaging<25.1
-petsctools<=2025.1