fix: check PSSMs

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

@@ -60,7 +60,7 @@ runs:
         # Only way to install msms is through conda
         conda install -c bioconda msms
         # Safest way to install PyTorch and PyTorch Geometric is through conda
-        conda install pytorch torchvision torchaudio cpuonly -c pytorch==2.0.0
+        conda install pytorch torchvision torchaudio cpuonly -c pytorch=2.0.0
         conda install pyg -c pyg
         # Install optional pyg dependencies
         python3 -m pip install pyg_lib 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

README.md

@@ -59,7 +59,9 @@ Before installing deeprankcore you need to install:
  * [msms](https://ssbio.readthedocs.io/en/latest/instructions/msms.html): `conda install -c bioconda msms`. *For MacOS with M1 chip users*: you can follow [these instructions](https://ssbio.readthedocs.io/en/latest/instructions/msms.html).
  * [dssp](https://swift.cmbi.umcn.nl/gv/dssp/): `sudo apt-get install dssp`
     * See [DSSP docs](https://ssbio.readthedocs.io/en/latest/instructions/dssp.html) for installing it on Mac OSX
- * [pytorch](https://pytorch.org/get-started/locally/): `conda install pytorch torchvision torchaudio cpuonly -c pytorch` or `conda install pytorch torchvision torchaudio pytorch-cuda=11.7 -c pytorch -c nvidia`, for taking advantage of GPUs.
+ * [pytorch](https://pytorch.org/get-started/locally/): 
+   * CPU only: `conda install pytorch torchvision torchaudio cpuonly -c pytorch=2.0.0`
+   * if using GPU: `conda install pytorch torchvision torchaudio pytorch-cuda=11.7 -c pytorch=2.0.0 -c nvidia`
  * [pytorch-geometric](https://pytorch-geometric.readthedocs.io/en/latest/notes/installation.html): `conda install pyg -c pyg`
  * [Dependencies for pytorch geometric from wheels](https://pytorch-geometric.readthedocs.io/en/latest/install/installation.html#installation-from-wheels): `pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-${TORCH}+${CUDA}.html`. 
     - Here, `${TORCH}` and `${CUDA}` should be replaced by the pytorch and CUDA versions installed. You can find these using: