From 3092840b3cbe6983d90b830ddd757e05ff8f5a00 Mon Sep 17 00:00:00 2001 From: kfir4444 Date: Tue, 2 Jul 2024 08:30:34 +0300 Subject: [PATCH] Change ase version ase update requires a new cclib. --- environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/environment.yml b/environment.yml index 269423b638..08836bfbcb 100644 --- a/environment.yml +++ b/environment.yml @@ -50,7 +50,7 @@ dependencies: - anaconda::sphinx_rtd_theme - anaconda::paramiko >=2.6.0 - conda-forge::py3dmol >= 0.8.0 - - conda-forge::ase >=3.15.0 + - conda-forge::ase >=3.15.0, <=3.22.* - anaconda::ipython - anaconda::sphinx - anaconda::sphinxcontrib-jsmath