fix build with python 3.11

.github/actions/install-python-and-package/action.yml

@@ -50,7 +50,7 @@ runs:
         conda install -c bioconda msms
         ## PyTorch, PyG, PyG adds
         ### Installing for CPU only on the CI
-        conda install pytorch torchvision torchaudio cpuonly -c pytorch
+        conda install pytorch==2.0.1 torchvision==0.15.2 torchaudio==2.0.2 -c pytorch
         conda install pyg -c pyg
         pip install torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-$(python3 -c "import torch; print(torch.__version__)")+cpu.html
     - name: Install dependencies on MacOS

README.md

@@ -61,6 +61,7 @@ Before installing deeprank2 you need to install some dependencies. We advise to
     * [Here](https://ssbio.readthedocs.io/en/latest/instructions/msms.html) for MacOS with M1 chip users.
 *  [PyTorch](https://pytorch.org/get-started/locally/)
     * We support torch's CPU library as well as CUDA.
+    * Currently, the package is tested using [PyTorch 2.0.1](https://pytorch.org/get-started/previous-versions/#v201). 
 *  [PyG](https://pytorch-geometric.readthedocs.io/en/latest/install/installation.html) and its optional dependencies: `torch_scatter`, `torch_sparse`, `torch_cluster`, `torch_spline_conv`.
 *  [DSSP 4](https://swift.cmbi.umcn.nl/gv/dssp/)
     * Check if `dssp` is installed: `dssp --version`. If this gives an error or shows a version lower than 4: