From 277a1b23894192247010ed54664a16d130081484 Mon Sep 17 00:00:00 2001 From: Shyue Ping Ong Date: Fri, 6 Oct 2023 09:02:39 -0700 Subject: [PATCH] Update pip instructions. --- setup.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.md b/setup.md index c6ef814..e6cc6fe 100644 --- a/setup.md +++ b/setup.md @@ -26,7 +26,7 @@ conda activate NANOx81 6. Install the necessary Python libraries. ```bash conda install --yes numpy scipy matplotlib pandas jupyter seaborn scikit-learn -conda install --channel conda-forge --yes pymatgen +pip install pymatgen --upgrade ``` 7. An alternative to steps 4-6 is to download the [nanox81_env.yml](https://raw.githubusercontent.com/materialsvirtuallab/NANO281/master/nanox81_env.yml) file from the Github repo and create the environment directly.