From eee551223beb702233b8101e21f06206c69b9f99 Mon Sep 17 00:00:00 2001 From: gcroci2 Date: Tue, 24 Oct 2023 16:22:10 +0200 Subject: [PATCH] fix build with python 3.11 --- .github/actions/install-python-and-package/action.yml | 2 +- README.md | 1 + 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/.github/actions/install-python-and-package/action.yml b/.github/actions/install-python-and-package/action.yml index 510da80a7..5ec817362 100644 --- a/.github/actions/install-python-and-package/action.yml +++ b/.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 diff --git a/README.md b/README.md index 9ac066d99..e4f283998 100644 --- a/README.md +++ b/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: