Commit 55c948c1 authored by Tom Ward's avatar Tom Ward Committed by Copybara-Service
Browse files

Add support for CUDA patch versions.

PiperOrigin-RevId: 452008235
Change-Id: Ic6ae00a207d3b0eb809b039b5df9e7bebdaee558
parent d9e5e1d9
......@@ -12,7 +12,7 @@
# See the License for the specific language governing permissions and
# limitations under the License.
ARG CUDA=11.1
ARG CUDA=11.1.1
FROM nvidia/cuda:${CUDA}-cudnn8-runtime-ubuntu18.04
# FROM directive resets ARGS, so we specify again (the value is retained if
# previously set).
......@@ -21,15 +21,16 @@ ARG CUDA
# Use bash to support string substitution.
SHELL ["/bin/bash", "-c"]
RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y \
build-essential \
cmake \
cuda-command-line-tools-${CUDA/./-} \
git \
hmmer \
kalign \
tzdata \
wget \
RUN apt-get update && CUDA_HYPHENS=${CUDA//./-} DEBIAN_FRONTEND=noninteractive \
apt-get install -y \
build-essential \
cmake \
cuda-command-line-tools-$(cut -f1,2 -d- <<< ${CUDA_HYPHENS}) \
git \
hmmer \
kalign \
tzdata \
wget \
&& rm -rf /var/lib/apt/lists/*
# Compile HHsuite from source.
......@@ -65,8 +66,10 @@ RUN wget -q -P /app/alphafold/alphafold/common/ \
# Install pip packages.
RUN pip3 install --upgrade pip \
&& pip3 install -r /app/alphafold/requirements.txt \
&& pip3 install --upgrade jax==0.2.14 jaxlib==0.1.69+cuda${CUDA/./} -f \
https://storage.googleapis.com/jax-releases/jax_releases.html
&& pip3 install --upgrade \
jax==0.2.14 \
jaxlib==0.1.69+cuda$(cut -f1,2 -d. <<< ${CUDA} | sed 's/\.//g') \
-f https://storage.googleapis.com/jax-releases/jax_releases.html
# Apply OpenMM patch.
WORKDIR /opt/conda/lib/python3.7/site-packages
......
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