changes to Dockerfile ane pin mkl to 2024

Dockerfile

-FROM nvidia/cuda:12.4.1-devel-ubuntu22.04
+FROM nvidia/cuda:12.1.1-cudnn8-devel-ubuntu22.04
 
 # metainformation
 LABEL org.opencontainers.image.version = "2.0.0"
@@ -7,11 +7,12 @@ LABEL org.opencontainers.image.source = "https://github.com/aqlaboratory/openfol
 LABEL org.opencontainers.image.licenses = "Apache License 2.0"
 LABEL org.opencontainers.image.base.name="docker.io/nvidia/cuda:12.4.1-devel-ubuntu22.04"
 
-RUN wget https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64/cuda-keyring_1.0-1_all.deb
-RUN sudo dpkg -i cuda-keyring_1.0-1_all.deb
-
 RUN apt-get update && apt-get install -y wget libxml2 cuda-minimal-build-12-4 libcusparse-dev-12-4 libcublas-dev-12-4 libcusolver-dev-12-4 git
 
+RUN apt-key del 7fa2af80
+RUN wget https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64/cuda-keyring_1.0-1_all.deb
+RUN dpkg -i cuda-keyring_1.0-1_all.deb
+
 RUN wget -P /tmp \
     "https://github.com/conda-forge/miniforge/releases/download/23.3.1-1/Miniforge3-Linux-x86_64.sh" \
     && bash /tmp/Miniforge3-Linux-x86_64.sh -b -p /opt/conda \

environment.yml

@@ -5,7 +5,7 @@ channels:
   - pytorch
   - nvidia 
 dependencies:
-  - python=3.9
+  - python=3.10
   - libgcc=7.2
   - setuptools=59.5.0
   - pip
@@ -24,7 +24,7 @@ dependencies:
   - modelcif==0.7
   - awscli
   - ml-collections
-  - mkl=2024.0.0
+  - mkl=2024.0
   - aria2
   - git
   - bioconda::hmmer==3.3.2