STry with identical Dockerfile as in #2350

docker/prognostic_run_shield/Dockerfile

@@ -1,8 +1,36 @@
 # Use identical base image (20.04) to what we use in the fv3net prognostic run:
+# https://github.com/ai2cm/fv3net/blob/382409f76fd26d70457b349a48fa0e63f4f26303/Makefile#L12
+#
+# This is convenient for a couple reasons:
+#
+# * It installs Python 3.8 as the system Python, which should allow us to
+# seamlessly install the additional Python packages used in the existing
+# prognostic_run image, to their exact versions.
+#
+# * It installs a version of MPICH that does not enable link time optimization
+# (LTO) by default. Newer Ubuntu LTS base images, e.g. 22.04, install
+# versions of MPICH that enable link time optimization by default in their
+# compiler wrappers (i.e. mpif90 and the like; see the presence of -flto=auto
+# and other LTO-related flags in the output of `mpif90 -show`). LTO can lead
+# to differences in answers between applications that were linked differently
+# (e.g. the fortran executable and the Python-wrapped model). Compiling
+# without LTO allows the fortran executable and the Python wrapper to
+# robustly produce bitwise identical results. See
+# https://github.com/ai2cm/SHiELD-minimal/pull/6 for some details on MPICH in
+# the Ubuntu LTS 22.04 image. This can be addressed by manually adding
+# `-fno-lto` compiler flags to Makefile templates, but it is easiest not to
+# need to worry about this.
 FROM ubuntu@sha256:9101220a875cee98b016668342c489ff0674f247f6ca20dfc91b91c0f28581ae
 
+# CALLPYFORT, PLATFORM, CLONE_PREFIX, and INSTALL_PREFIX are not used for
+# anything meaningful here.
+ENV CALLPYFORT=N
+ENV PLATFORM=gnu_docker
+ENV CLONE_PREFIX=/
+ENV INSTALL_PREFIX=/usr/local
 ENV FV3NET_DIR=/fv3net
 ENV FV3NET_SCRIPTS=${FV3NET_DIR}/.environment-scripts
+COPY .environment-scripts/setup_environment.sh ${FV3NET_SCRIPTS}/
 
 # Install and use GNU version 10 compiliers instead of the default version 9,
 # since the latest version of FMS fails to build with GNU version 9
@@ -44,7 +72,6 @@ ENV SHiELD_FC=mpif90
 ENV SHiELD_CC=mpicc
 ENV SHiELD_CXX=mpicxx
 ENV SHiELD_LD=mpif90
-ENV SHiELD_AVX_LEVEL=-mavx
 
 ENV SUBMODULE_DIR=/SHiELD
 COPY external/SHiELD-wrapper/submodules ${SUBMODULE_DIR}/
@@ -59,62 +86,62 @@ RUN cd ${SUBMODULE_DIR}/SHiELD_build/Build && \
  CXX=${SHiELD_CXX} \
  LD=${SHiELD_LD} \
  TEMPLATE=site/gnu.mk \
- AVX_LEVEL=${SHiELD_AVX_LEVEL} \
- ./COMPILE shield repro 64bit gnu pic
-
-# Install the Python requirements for the prognostic run.
-COPY docker/prognostic_run/requirements.txt ${FV3NET_DIR}/docker/prognostic_run/requirements.txt
-RUN CC=${SHiELD_CC} \
- MPICC=${SHiELD_CC} \
- pip install --no-cache-dir -r ${FV3NET_DIR}/docker/prognostic_run/requirements.txt
+ AVX_LEVEL=-mavx \
+ ./COMPILE shield 64bit gnu pic
+
+COPY docker/prognostic_run/requirements.txt /fv3net/docker/prognostic_run/requirements.txt
+COPY .environment-scripts/setup_development_environment.sh ${FV3NET_SCRIPTS}/
+COPY .environment-scripts/${PLATFORM}/configuration_variables.sh ${FV3NET_SCRIPTS}/${PLATFORM}/
+RUN bash ${FV3NET_SCRIPTS}/setup_environment.sh \
+ python-requirements \
+ ${PLATFORM} \
+ ${CLONE_PREFIX} \
+ ${INSTALL_PREFIX} \
+ ${FV3NET_DIR} \
+ ${CALLPYFORT}
 
 # Prescribe LDSHARED as well to ensure that the wrapper is built with the GNU
 # 10 compilers. See https://github.com/ai2cm/fv3gfs-fortran/issues/330 for
 # more comprehensive discussion. This may not be absolutely necessary (we do
 # not worry about this in fv3net), but it feels cleaner not to mix compilers if
 # we can avoid it.
-COPY external/SHiELD-wrapper/wrapper ${FV3NET_DIR}/external/SHiELD-wrapper/wrapper
-RUN make -C ${FV3NET_DIR}/external/SHiELD-wrapper/wrapper \
+COPY external/SHiELD-wrapper/wrapper /fv3net/external/SHiELD-wrapper/wrapper
+RUN make -C /fv3net/external/SHiELD-wrapper/wrapper \
  FC=${SHiELD_FC} \
  CC=${SHiELD_CC} \
  CXX=${SHiELD_CXX} \
  LD=${SHiELD_LD} \
  LDSHARED="${SHiELD_CC} -shared" \
- AVX_LEVEL=${SHiELD_AVX_LEVEL} \
  PIC=Y \
  OPENMP=Y \
  AVX=Y \
- REPRO=Y \
  build install
 RUN python3 -c "import shield.wrapper"
 
 # Install the fv3net packages. Do this last, because these packages change the most
 # frequently during our development. This allows us to get the most out of caching
 # the prior build steps.
 COPY .environment-scripts/install_fv3net_packages.sh ${FV3NET_SCRIPTS}/
-COPY external/vcm ${FV3NET_DIR}/external/vcm
-COPY external/artifacts ${FV3NET_DIR}/external/artifacts
-COPY external/loaders ${FV3NET_DIR}/external/loaders
-COPY external/fv3fit ${FV3NET_DIR}/external/fv3fit
-COPY external/fv3kube ${FV3NET_DIR}/external/fv3kube
-COPY workflows/post_process_run ${FV3NET_DIR}/workflows/post_process_run
-COPY workflows/prognostic_c48_run/ ${FV3NET_DIR}/workflows/prognostic_c48_run
-COPY external/emulation ${FV3NET_DIR}/external/emulation
-COPY external/radiation ${FV3NET_DIR}/external/radiation
-RUN bash ${FV3NET_SCRIPTS}/install_fv3net_packages.sh \
- ${FV3NET_DIR}/external/vcm \
- ${FV3NET_DIR}/external/artifacts \
- ${FV3NET_DIR}/external/loaders \
- ${FV3NET_DIR}/external/fv3fit \
- ${FV3NET_DIR}/external/fv3kube \
- ${FV3NET_DIR}/workflows/post_process_run \
- ${FV3NET_DIR}/workflows/prognostic_c48_run \
- ${FV3NET_DIR}/external/emulation \
- ${FV3NET_DIR}/external/radiation
+COPY external/vcm /fv3net/external/vcm
+COPY external/artifacts /fv3net/external/artifacts
+COPY external/loaders /fv3net/external/loaders
+COPY external/fv3fit /fv3net/external/fv3fit
+COPY external/fv3kube /fv3net/external/fv3kube
+COPY workflows/post_process_run /fv3net/workflows/post_process_run
+COPY workflows/prognostic_c48_run/ /fv3net/workflows/prognostic_c48_run
+COPY external/emulation /fv3net/external/emulation
+COPY external/radiation /fv3net/external/radiation
+RUN bash ${FV3NET_SCRIPTS}/setup_environment.sh \
+ fv3net-packages \
+ ${PLATFORM} \
+ ${CLONE_PREFIX} \
+ ${INSTALL_PREFIX} \
+ ${FV3NET_DIR} \
+ ${CALLPYFORT}
 
 # Add emulation project scripts
-COPY projects/microphysics/scripts ${FV3NET_DIR}/projects/microphysics/scripts
-ENV PATH=${FV3NET_DIR}/projects/microphysics/scripts:${PATH}
+COPY projects/microphysics/scripts /fv3net/projects/microphysics/scripts
+ENV PATH=$FV3NET_DIR/projects/microphysics/scripts:${PATH}
 
 RUN echo "ulimit -s unlimited" >> /etc/bash.bashrc && \
  mkdir /outdir && \
@@ -125,11 +152,11 @@ ENV LC_ALL=C.UTF-8
 ENV LANG=C.UTF-8
 
 # Override microphysics emulation
-ENV VAR_META_PATH=${FV3NET_DIR}/external/emulation/microphysics_parameter_metadata.yaml
+ENV VAR_META_PATH=$FV3NET_DIR/external/emulation/microphysics_parameter_metadata.yaml
 ENV OUTPUT_FREQ_SEC=18000
 
 # Add fv3net packages to the PYTHONPATH
-ENV PYTHONPATH=${FV3NET_DIR}/workflows/prognostic_c48_run:${FV3NET_DIR}/external/fv3fit:${FV3NET_DIR}/external/emulation:${FV3NET_DIR}/external/vcm:${FV3NET_DIR}/external/artifacts:${FV3NET_DIR}/external/loaders:${FV3NET_DIR}/external/fv3kube:${FV3NET_DIR}/workflows/post_process_run:${FV3NET_DIR}/external/radiation:${PYTHONPATH}
+ENV PYTHONPATH=$FV3NET_DIR/workflows/prognostic_c48_run:$FV3NET_DIR/external/fv3fit:$FV3NET_DIR/external/emulation:$FV3NET_DIR/external/vcm:/fv3net/external/artifacts:$FV3NET_DIR/external/loaders:$FV3NET_DIR/external/fv3kube:$FV3NET_DIR/workflows/post_process_run:$FV3NET_DIR/external/radiation:${PYTHONPATH}
 
-WORKDIR ${FV3NET_DIR}/workflows/prognostic_c48_run
+WORKDIR /fv3net/workflows/prognostic_c48_run
 CMD ["bash"]