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Ionshiv committed Sep 30, 2024
1 parent 939e58a commit 25f9274
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Showing 3 changed files with 19 additions and 26 deletions.
11 changes: 11 additions & 0 deletions .inputrc
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Expand Up @@ -86,3 +86,14 @@ set enable-bracketed-paste
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10 changes: 5 additions & 5 deletions build-local-docker.sh
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Expand Up @@ -11,11 +11,11 @@ echo "tag=$tag"
echo "image=$image"
#switch to buildx build
# Build docker image for this container.
docker buildx build --no-cache -t ghcr.io/pharmbio/$image:$tag-devel \
--build-arg BASE_IMAGE=tensorflow/tensorflow:${tensorflow_version}-jupyter \
--build-arg FRAMEWORK=cpu \
-f ./docker/env.Dockerfile . || exit 1
docker buildx build --no-cache -t ghcr.io/pharmbio/$image:${tag}-gpu-devel \
# docker buildx build --no-cache -t ghcr.io/pharmbio/$image:$tag \
# --build-arg BASE_IMAGE=tensorflow/tensorflow:${tensorflow_version}-jupyter \
# --build-arg FRAMEWORK=cpu \
# -f ./docker/env.Dockerfile . || exit 1
docker buildx build --no-cache -t ghcr.io/pharmbio/$image:${tag}-gpu \
--build-arg BASE_IMAGE=tensorflow/tensorflow:${tensorflow_version}-gpu-jupyter \
--build-arg FRAMEWORK=cuda \
-f docker/env.Dockerfile . || exit 1
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24 changes: 3 additions & 21 deletions docker/env.Dockerfile
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Expand Up @@ -67,15 +67,6 @@ RUN <<EOF
torch==2.2.1 \
torchvision \
torchaudio;
python3 -m pip install --no-cache-dir \
pytorch_toolbelt;
# python3 -m pip install --no-cache-dir -f https://data.pyg.org/whl/torch-2.2.0+cu121.html \
# pyg-lib \
# torch-scatter \
# torch-sparse \
# torch-cluster \
# torch-spline-conv \
# torch-geometric;
python3 -m pip install \
--extra-index-url=https://pypi.nvidia.com \
cudf-cu12==24.6.* dask-cudf-cu12==24.6.* cuml-cu12==24.6.* \
Expand All @@ -88,15 +79,6 @@ RUN <<EOF
torch==2.2.1 \
torchvision \
torchaudio;
python3 -m pip install --no-cache-dir
pytorch_toolbelt ;
# python3 -m pip install --no-cache-dir -f https://data.pyg.org/whl/torch-2.2.0+cpu.html \
# pyg-lib \
# torch-scatter \
# torch-sparse \
# torch-cluster \
# torch-spline-conv \
# torch-geometric;
else
echo "Error: unknown hardware"
exit 1
Expand All @@ -109,9 +91,9 @@ EOF


# Add pharmbio templates, examples and misc
WORKDIR /pharmbio/
COPY README.md .
COPY notebooks/* ./notebooks/
#WORKDIR /pharmbio/
#COPY README.md .
#COPY notebooks/* ./notebooks/

# Custom bashrc
COPY bash.bashrc /etc/bash.bashrc
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