From 91f0926b8e6e96b5bf896ed6c1042ed96a494cf1 Mon Sep 17 00:00:00 2001 From: Yuichi Motoyama Date: Wed, 6 Nov 2024 16:44:49 +0900 Subject: [PATCH] change pymatgen version --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 71504b8..c068bba 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -18,7 +18,7 @@ numpy = "^1.20" toml = ">=0.10" scipy = "^1" mpi4py = "^3" -pymatgen = ">=2019.12.3 <2023.5.8" +pymatgen = ">=2022.1.20 <2023.5.8" qe_tools = "^1.1" nequip = {version=">=0.5.6", optional=true}