From 10271a123c9c79e0e55f359263be92d1afefeb2c Mon Sep 17 00:00:00 2001
From: Matthew Defenderfer <mdefende@uab.edu>
Date: Fri, 4 Oct 2024 15:18:42 -0500
Subject: [PATCH] specify nvidia label to try and fix dependency version
---
docker/Dockerfile | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/docker/Dockerfile b/docker/Dockerfile
index ad666e6..1f37c79 100644
--- a/docker/Dockerfile
+++ b/docker/Dockerfile
@@ -16,7 +16,7 @@ ARG CUDA=12.2.2
FROM nvidia/cuda:${CUDA}-cudnn8-runtime-ubuntu20.04
# FROM directive resets ARGS, so we specify again (the value is retained if
# previously set).
-ARG CUDA
+ARG CUDA=12.2.2
# Use bash to support string substitution.
SHELL ["/bin/bash", "-o", "pipefail", "-c"]
@@ -55,7 +55,7 @@ RUN wget -q -P /tmp \
ENV PATH="/opt/conda/bin:$PATH"
ENV LD_LIBRARY_PATH="/opt/conda/lib:$LD_LIBRARY_PATH"
RUN conda install -qy conda==24.1.2 pip python=3.11 \
- && conda install -y -c nvidia cuda=${CUDA_VERSION} \
+ && conda install -y -c nvidia/label/cuda-12.2.2 cuda=${CUDA_VERSION} \
&& conda install -y -c conda-forge openmm=8.0.0 pdbfixer \
&& conda clean --all --force-pkgs-dirs --yes
--
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