:

Dockerfile

@@ -1,20 +1,15 @@
-# gkrz/lgatr:v3
+## gkrz/lgatr:v3
 # docker build -t gkrz/lgatr:v4 .
 FROM nvidia/cuda:11.8.0-runtime-ubuntu22.04
 
 WORKDIR /app
-RUN ls .
+
 COPY . /app
 
 SHELL ["/bin/bash", "-c"]
 
 USER root
 
-RUN ls /app
-RUN ls /app/src
-RUN ls /app/src/1models/
-RUN ls /app/src/1models/LGATr
-
 RUN apt update && \
     DEBIAN_FRONTEND=noninteractive apt install --yes --no-install-recommends \
         build-essential \
@@ -36,9 +31,14 @@ RUN python3 -m pip install --no-cache-dir --upgrade pip
 RUN python3 -m pip install numba==0.58.1
 # packages without conda
 # RUN python3 -m pip install --no-cache-dir torch==1.13.1+cu117 torchvision==0.14.1+cu117 torchaudio==0.13.1 --extra-index-url https://download.pytorch.org/whl/cu117
-RUN python3 -m pip install torch torchvision torchaudio
+RUN python3 -m pip install torch==2.5.1 torchvision torchaudio
 RUN python3 -m pip install torch_geometric
-RUN python3 -m pip install  torch_scatter torch_sparse torch_cluster torch_spline_conv
+#RUN python3 -m pip install  torch_scatter torch_sparse
+RUN python3 -m pip install torch-scatter -f https://data.pyg.org/whl/torch-2.5.1.html
+RUN python3 -m pip install torch-sparse -f https://data.pyg.org/whl/torch-2.5.1.html
+RUN python3 -m pip install torch-cluster -f https://data.pyg.org/whl/torch-2.5.1.html
+
+
 RUN python3 -m pip install pytorch-lightning yacs torchmetrics
 RUN python3 -m pip install performer-pytorch
 RUN python3 -m pip install tensorboardX