Dockerfile.pygridpack

# Python API + CLI on top of the published GridPACK C++ stack.
#
# The full Dockerfile in this directory builds Boost, GA and PETSc from
# source, which takes hours.  This one starts from that build so only the
# Python layer is compiled:
#
#   docker build -f Dockerfile.pygridpack -t pygridpack .
#   docker run --rm -it -v "$PWD:/app/workspace" pygridpack
#
# Then `import gridpack` and the `gridpack` CLI work with no environment
# variables set.
ARG gridpack_version=v3.7.0
FROM pnnl/gridpack:${gridpack_version}

# Built from a scratch directory that is then deleted: a `gridpack/` source
# directory left on disk shadows the installed package for anything run from
# its parent, which is exactly what `pytest /app/python/tests` does.
COPY python /tmp/pygridpack-build
# The base image installed its bindings under GRIDPACK_INSTALL_DIR and points
# a .pth file there.  Same prefix, so this replaces them rather than leaving
# two importable copies of `gridpack`.
RUN pip install --upgrade --prefix=${GRIDPACK_INSTALL_DIR} /tmp/pygridpack-build && \
    pip install --upgrade pytest pandas numpy && \
    rm -rf /tmp/pygridpack-build

# Tests only; conftest.py finds the inputs two directories up, at /app.
# The inputs come from this checkout, not the base image: its data sets
# are the release's, and a fixture added since then would skip.
COPY python/tests ${GRIDPACK_ROOT_DIR}/python/tests
COPY src/applications/data_sets ${GRIDPACK_ROOT_DIR}/src/applications/data_sets
# test_imports pins the installed version to the pyproject one directory up;
# without ours there it finds the base image's and skips.
COPY python/pyproject.toml ${GRIDPACK_ROOT_DIR}/python/pyproject.toml

# The base image left a 0.0.1 egg-info here.  pytest puts this directory at
# sys.path[0], so importlib.metadata.version("gridpack") reported 0.0.1.
RUN rm -rf ${GRIDPACK_ROOT_DIR}/python/gridpack.egg-info

# Break the build here rather than shipping an image whose API or CLI is
# broken.  The powerflow run proves the extension links, not just imports.
# The XML names IEEE14.raw as a bare filename, so stage both in one dir.
RUN data=${GRIDPACK_ROOT_DIR}/src/applications/data_sets && \
    mkdir -p /tmp/smoke && cd /tmp/smoke && \
    python3 -c "import gridpack; print('gridpack from', gridpack.__file__)" && \
    gridpack --version && \
    cp ${data}/input/powerflow/input_14.xml ${data}/raw/IEEE14.raw . && \
    gridpack powerflow input_14.xml --quiet --no-timer && \
    cd / && rm -rf /tmp/smoke

# The full suite, and a skipped test fails the build too: here a skip means
# mpiexec is missing, a test dependency is absent or the extension did not
# build, none of which the smoke above sees.  -rs names the skip.
RUN pytest ${GRIDPACK_ROOT_DIR}/python/tests -q -rs --fail-on-skip

WORKDIR ${GRIDPACK_ROOT_DIR}/workspace