From 93a422fe9f48cc53ec56b6f65344a3485afdd1ae Mon Sep 17 00:00:00 2001 From: Zhuoying Date: Mon, 11 Mar 2024 16:37:30 -0700 Subject: [PATCH] add phono3y into complete --- atomate/vasp/workflows/tests/test_adsorbate_workflow.py | 1 - setup.py | 1 + 2 files changed, 1 insertion(+), 1 deletion(-) diff --git a/atomate/vasp/workflows/tests/test_adsorbate_workflow.py b/atomate/vasp/workflows/tests/test_adsorbate_workflow.py index f9170e5e3..644c2572a 100644 --- a/atomate/vasp/workflows/tests/test_adsorbate_workflow.py +++ b/atomate/vasp/workflows/tests/test_adsorbate_workflow.py @@ -16,7 +16,6 @@ get_slab_trans_params, get_wf_slab, ) -from phono3py.phonon3.gruneisen import Gruneisen __author__ = "Kiran Mathew, Joseph Montoya" __email__ = "montoyjh@lbl.gov" diff --git a/setup.py b/setup.py index 957e8dc5c..1c2b086b3 100644 --- a/setup.py +++ b/setup.py @@ -51,6 +51,7 @@ "matplotlib>=1.5.2", "phonopy>=2.21.0", "openbabel-wheel", + "phono3py", "hiphive @ git+https://gitlab.com/jsyony37/hiphive.git@personal#egg=hiphive", "f90nml==1.4.4", "spglib>=2.2.0",