From 89f4493cd4cc3ed3ff9b2317a551ef9c31ff29a9 Mon Sep 17 00:00:00 2001 From: alexhernandezgarcia Date: Tue, 30 Jan 2024 09:55:04 -0500 Subject: [PATCH] Add pyshtools==4.10.3 to avoid recent issues installing pyxtal --- mila/setup/setupenv_full_py3.10_cu11.8_torch2.0.1.sh | 1 + 1 file changed, 1 insertion(+) diff --git a/mila/setup/setupenv_full_py3.10_cu11.8_torch2.0.1.sh b/mila/setup/setupenv_full_py3.10_cu11.8_torch2.0.1.sh index e37d76899..406b57979 100644 --- a/mila/setup/setupenv_full_py3.10_cu11.8_torch2.0.1.sh +++ b/mila/setup/setupenv_full_py3.10_cu11.8_torch2.0.1.sh @@ -33,6 +33,7 @@ python -m pip install numpy pandas scikit-learn hydra-core tqdm torchtyping matp # wandb: for logging onto WandB python -m pip install wandb # pymatgen, pyxtal: for the crystal environments +python -m pip install pyshtools==4.10.3 python -m pip install pymatgen==2023.12.18 pyxtal==0.6.1 # dave proxy: consider updating the version python -m pip install git+https://github.com/sh-divya/ActiveLearningMaterials.git@0.3.4