Git patch for CUDA 11.1

0001-Update-CUDA-version.patch

From 95ea1abb942e8da86faa1f1856fed316dcd95985 Mon Sep 17 00:00:00 2001
From: John Lees <[email protected]>
Date: Tue, 20 Jul 2021 15:44:19 +0100
Subject: [PATCH] Update CUDA version

---
 docker/Dockerfile | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/docker/Dockerfile b/docker/Dockerfile
index 46b9668..2682d7e 100644
--- a/docker/Dockerfile
+++ b/docker/Dockerfile
@@ -12,8 +12,8 @@
 # See the License for the specific language governing permissions and
 # limitations under the License.

-ARG CUDA=11.0
-FROM nvidia/cuda:${CUDA}-base
+ARG CUDA=11.1
+FROM nvidia/cuda:11.1.1-cudnn8-runtime-ubuntu20.04
 # FROM directive resets ARGS, so we specify again (the value is retained if
 # previously set).
 ARG CUDA
 @@ -52,7 +52,7 @@ ENV PATH="/opt/conda/bin:$PATH"
 RUN conda update -qy conda \
     && conda install -y -c conda-forge \
       openmm=7.5.1 \
-      cudatoolkit==${CUDA}.3 \
+      cudatoolkit==${CUDA}.1 \
       pdbfixer \
       pip

@@ -63,7 +63,7 @@ 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 jaxlib==0.1.69+cuda${CUDA/./} -f \
+    && pip3 install --upgrade jax jaxlib==0.1.69+cuda111 -f \
       https://storage.googleapis.com/jax-releases/jax_releases.html

 # Apply OpenMM patch.
--
2.17.1