Merge pull request #56 from stenczelt/update-readme

update installation instructions in readme
ACEsuit · Jan 6, 2023 · fae650c · fae650c
2 parents 75d3028 + 2aeac0c
commit fae650c
Showing 1 changed file with 5 additions and 2 deletions.
diff --git a/README.md b/README.md
@@ -18,9 +18,12 @@ conda create mace_env
 conda activate mace_env
 
 # Install PyTorch
-conda install pytorch torchvision torchaudio cudatoolkit=11.1 -c pytorch-lts -c conda-forge
+conda install pytorch torchvision torchaudio pytorch-cuda=11.6 -c pytorch -c nvidia
 
-# Clone and install MACE (and all required packages), use token if still private repo
+# (optional) Install MACE's dependencies from Conda as well
+conda install numpy scipy matplotlib ase opt_einsum prettytable pandas e3nn
+
+# Clone and install MACE (and all required packages)
 git clone [email protected]:ACEsuit/mace.git 
 pip install ./mace
 ```