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# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES.
# SPDX-FileCopyrightText: All rights reserved.
# SPDX-License-Identifier: Apache-2.0
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
ARG BASE_CONTAINER=nvcr.io/nvidia/pytorch:24.03-py3
FROM ${BASE_CONTAINER} as builder
ARG TARGETPLATFORM
# Update pip and setuptools
RUN pip install "pip==23.2.1" "setuptools==68.2.2"
# Setup git lfs, graphviz gl1(vtk dep)
RUN apt-get update && \
apt-get install -y git-lfs graphviz libgl1 && \
git lfs install
ENV _CUDA_COMPAT_TIMEOUT=90
# Install other dependencies
RUN pip install --no-cache-dir "h5py>=3.7.0" "netcdf4>=1.6.3" "ruamel.yaml>=0.17.22" "scikit-learn>=1.0.2" "cftime>=1.6.2" "einops>=0.7.0" "pyspng>=0.1.0"
RUN pip install --no-cache-dir "hydra-core>=1.2.0" "termcolor>=2.1.1" "wandb>=0.13.7" "mlflow>=2.1.1" "pydantic>=1.10.2" "imageio>=2.28.1" "moviepy>=1.0.3" "tqdm>=4.60.0" "gcsfs==2024.2.0"
# copy modulus source
COPY . /modulus/
# Install Numcodecs (This needs a separate install because Numcodecs ARM pip install has issues)
# A fix is being added here: https://github.com/zarr-developers/numcodecs/pull/315 but the public release is not ready yet.
RUN if [ "$TARGETPLATFORM" = "linux/amd64" ]; then \
echo "Pip install for numcodecs for $TARGETPLATFORM exists, installing!" && \
pip install --no-cache-dir numcodecs; \
elif [ "$TARGETPLATFORM" = "linux/arm64" ] && [ -e "/modulus/deps/numcodecs-0.11.0-cp310-cp310-linux_aarch64.whl" ]; then \
echo "Numcodecs wheel for $TARGETPLATFORM exists, installing!" && \
pip install --force-reinstall --no-cache-dir /modulus/deps/numcodecs-0.11.0-cp310-cp310-linux_aarch64.whl; \
else \
echo "Numcodecs wheel for $TARGETPLATFORM is not present, attempting to build from pip, but might fail" && \
pip install --no-cache-dir numcodecs; \
fi
# install vtk and pyvista
RUN if [ "$TARGETPLATFORM" = "linux/arm64" ] && [ -e "/modulus/deps/vtk-9.2.6.dev0-cp310-cp310-linux_aarch64.whl" ]; then \
echo "VTK wheel for $TARGETPLATFORM exists, installing!" && \
pip install --no-cache-dir /modulus/deps/vtk-9.2.6.dev0-cp310-cp310-linux_aarch64.whl; \
elif [ "$TARGETPLATFORM" = "linux/amd64" ]; then \
echo "Installing vtk for: $TARGETPLATFORM" && \
pip install --no-cache-dir "vtk>=9.2.6"; \
else \
echo "Installing vtk for: $TARGETPLATFORM from source" && \
apt-get update && apt-get install -y libgl1-mesa-dev && \
git clone https://gitlab.kitware.com/vtk/vtk.git && cd vtk && git checkout tags/v9.2.6 && git submodule update --init --recursive && \
mkdir build && cd build && cmake -GNinja -DVTK_WHEEL_BUILD=ON -DVTK_WRAP_PYTHON=ON /workspace/vtk/ && ninja && \
python setup.py bdist_wheel && \
pip install --no-cache-dir dist/vtk-9.2.6.dev0-cp310-cp310-linux_aarch64.whl && \
cd ../../ && rm -r vtk; \
fi
RUN pip install --no-cache-dir "pyvista>=0.40.1"
# Install DGL, below instructions only work for containers with CUDA >= 12.1
# (https://www.dgl.ai/pages/start.html)
ARG DGL_BACKEND=pytorch
ENV DGL_BACKEND=$DGL_BACKEND
ENV DGLBACKEND=$DGL_BACKEND
# TODO: this is a workaround as dgl is not yet shipping arm compatible wheels for CUDA 12.x: https://github.com/NVIDIA/modulus/issues/432
RUN if [ "$TARGETPLATFORM" = "linux/arm64" ] && [ -e "/modulus/deps/dgl-2.0.0-cp310-cp310-linux_aarch64.whl" ]; then \
echo "DGL wheel for $TARGETPLATFORM exists, installing!" && \
pip install --no-cache-dir --no-deps /modulus/deps/dgl-2.0.0-cp310-cp310-linux_aarch64.whl; \
elif [ "$TARGETPLATFORM" = "linux/amd64" ]; then \
echo "Installing DGL for: $TARGETPLATFORM" && \
pip install --no-cache-dir --no-deps dgl==2.0.0 -f https://data.dgl.ai/wheels/cu121/repo.html; \
else \
echo "Installing DGL for: $TARGETPLATFORM from source" && \
git clone https://github.com/dmlc/dgl.git && cd dgl/ && git checkout tags/v2.0.0 && git submodule update --init --recursive && \
DGL_HOME="/workspace/dgl" bash script/build_dgl.sh -g && \
cd python && \
python setup.py install && \
python setup.py build_ext --inplace && \
cd ../../ && rm -r /workspace/dgl; \
fi
# Install custom onnx
# TODO: Find a fix to eliminate the custom build
# Forcing numpy update to over ride numba 0.56.4 max numpy constraint
RUN if [ "$TARGETPLATFORM" = "linux/amd64" ] && [ -e "/modulus/deps/onnxruntime_gpu-1.18.0-cp310-cp310-linux_x86_64.whl" ]; then \
echo "Custom onnx wheel for $TARGETPLATFORM exists, installing!" && \
pip install --force-reinstall --no-cache-dir /modulus/deps/onnxruntime_gpu-1.18.0-cp310-cp310-linux_x86_64.whl; \
elif [ "$TARGETPLATFORM" = "linux/arm64" ] && [ -e "/modulus/deps/onnxruntime_gpu-1.18.0-cp310-cp310-linux_aarch64.whl" ]; then \
echo "Custom onnx wheel for $TARGETPLATFORM exists, installing!" && \
pip install --force-reinstall --no-cache-dir /modulus/deps/onnxruntime_gpu-1.18.0-cp310-cp310-linux_aarch64.whl; \
else \
echo "No custom wheel present, skipping" && \
pip install --no-cache-dir "numpy==1.22.4"; \
fi
# cleanup of stage
RUN rm -rf /modulus/
# CI image
FROM builder as ci
ARG TARGETPLATFORM
COPY . /modulus/
RUN cd /modulus/ && pip install -e .[makani] && pip uninstall nvidia-modulus -y
RUN if [ "$TARGETPLATFORM" = "linux/amd64" ]; then \
echo "Installing tensorflow and warp-lang for: $TARGETPLATFORM" && \
pip install --no-cache-dir "tensorflow==2.9.0" "warp-lang>=0.6.0"; \
elif [ "$TARGETPLATFORM" = "linux/arm64" ]; then \
echo "Installing tensorflow and warp-lang for: $TARGETPLATFORM is not supported presently"; \
fi
RUN pip install --no-cache-dir "black==22.10.0" "interrogate==1.5.0" "coverage==6.5.0" "protobuf==3.20.3"
# TODO(akamenev): install Makani via direct URL, see comments in pyproject.toml.
RUN pip install --no-cache-dir --no-deps -e git+https://github.com/NVIDIA/[email protected]#egg=makani
# Install torch-scatter, torch-cluster, and pyg
RUN if [ "$TARGETPLATFORM" = "linux/amd64" ] && [ -e "/modulus/deps/torch_scatter-2.1.2-cp310-cp310-linux_x86_64.whl" ]; then \
echo "Installing torch_scatter and for: $TARGETPLATFORM" && \
pip install --force-reinstall --no-cache-dir /modulus/deps/torch_scatter-2.1.2-cp310-cp310-linux_x86_64.whl; \
else \
echo "No custom wheel present, skipping"; \
fi
RUN if [ "$TARGETPLATFORM" = "linux/amd64" ] && [ -e "/modulus/deps/torch_cluster-1.6.3-cp310-cp310-linux_x86_64.whl" ]; then \
echo "Installing torch_cluster and for: $TARGETPLATFORM" && \
pip install --force-reinstall --no-cache-dir /modulus/deps/torch_cluster-1.6.3-cp310-cp310-linux_x86_64.whl; \
else \
echo "No custom wheel present, skipping"; \
fi
RUN pip install --no-cache-dir "torch_geometric==2.5.3"
# cleanup of stage
RUN rm -rf /modulus/
# Deployment image
FROM builder as deploy
COPY . /modulus/
RUN cd /modulus/ && pip install .
RUN pip install --no-cache-dir "protobuf==3.20.3"
# Set Git Hash as a environment variable
ARG MODULUS_GIT_HASH
ENV MODULUS_GIT_HASH=${MODULUS_GIT_HASH:-unknown}
# Clean up
RUN rm -rf /modulus/
# Docs image
FROM deploy as docs
ARG TARGETPLATFORM
# Install CI packages
RUN pip install --no-cache-dir "protobuf==3.20.3"
RUN if [ "$TARGETPLATFORM" = "linux/amd64" ]; then \
echo "Installing tensorflow and warp-lang for: $TARGETPLATFORM" && \
pip install --no-cache-dir "tensorflow==2.9.0" "warp-lang>=0.6.0"; \
elif [ "$TARGETPLATFORM" = "linux/arm64" ]; then \
echo "Installing tensorflow and warp-lang for: $TARGETPLATFORM is not supported presently"; \
fi
# Install packages for Sphinx build
RUN pip install --no-cache-dir "recommonmark==0.7.1" "sphinx==5.1.1" "sphinx-rtd-theme==1.0.0" "pydocstyle==6.1.1" "nbsphinx==0.8.9" "nbconvert==6.4.3" "jinja2==3.0.3"
RUN wget https://github.com/jgm/pandoc/releases/download/3.1.6.2/pandoc-3.1.6.2-1-amd64.deb && dpkg -i pandoc-3.1.6.2-1-amd64.deb