From 09c8c2186a32a70564857e8530fac5844f3e399b Mon Sep 17 00:00:00 2001 From: Logan Ward Date: Thu, 18 Jan 2024 09:10:08 -0500 Subject: [PATCH] Go back to main branch of ase My CP2K context manager was merged --- envs/environment-cpu.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/envs/environment-cpu.yml b/envs/environment-cpu.yml index d5866ae..0a9a5d3 100644 --- a/envs/environment-cpu.yml +++ b/envs/environment-cpu.yml @@ -34,7 +34,7 @@ dependencies: # Temporary: Use a patched version of ASE # Fixes a bug in Gaussian parsing and has support for new MOPAC - - git+https://gitlab.com/wardlt/ase.git@cp2k-context + - git+https://gitlab.com/ase/ase.git # Need torch for BOTorch - -e ..[botorch,test]