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]