From d8f24c96aa5b2ae56cefff7e0dbbcab5d3cce6fd Mon Sep 17 00:00:00 2001 From: Timur Bazhirov Date: Thu, 25 Jan 2024 12:07:18 -0800 Subject: [PATCH] update: use mat3ra-esse package --- express/properties/__init__.py | 2 +- requirements.txt | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/express/properties/__init__.py b/express/properties/__init__.py index 6b8a2f2b..f10ec203 100644 --- a/express/properties/__init__.py +++ b/express/properties/__init__.py @@ -1,4 +1,4 @@ -from esse import ESSE +from mat3ra.esse import ESSE from abc import abstractmethod diff --git a/requirements.txt b/requirements.txt index 278753f4..e1b42fbb 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,6 +1,6 @@ munch==2.5.0 pymatgen==2023.8.10 ase==3.17.0 -esse==2023.12.25.post0 +mat3ra-esse==2024.1.25.post6 rdkit-pypi>=2022.3.5 jarvis-tools==2023.12.12