From 82fc78bea27612d1eb97f8cd31c56e1ad0c5d90f Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 12 Dec 2022 08:01:34 +0000 Subject: [PATCH 1/3] Bump phonopy from 2.15.1 to 2.17.0 Bumps [phonopy](https://phonopy.github.io/phonopy/) from 2.15.1 to 2.17.0. --- updated-dependencies: - dependency-name: phonopy dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 5da8ce0e8..6ddfe6370 100644 --- a/setup.py +++ b/setup.py @@ -38,7 +38,7 @@ 'mp-api==0.29.8', 'numpy==1.23.5', 'pandas==1.5.2', - 'phonopy==2.15.1', + 'phonopy==2.17.0', 'pint==0.20.1', 'pyiron_base==0.5.29', 'pymatgen==2022.11.7', From 60e68ef861e3d512beb054741c245154ece4c234 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 12 Dec 2022 06:34:04 -0700 Subject: [PATCH 2/3] Update environment.yml --- .ci_support/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index 19e6c2d52..35ac58dfc 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -12,7 +12,7 @@ dependencies: - mendeleev =0.12.1 - numpy =1.23.5 - pandas =1.5.2 -- phonopy =2.15.1 +- phonopy =2.17.0 - pint =0.20.1 - pyiron_base =0.5.29 - pymatgen =2022.11.7 From 376ec8613f78146196b7b3b254295aee82dee877 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Wed, 14 Dec 2022 20:23:06 -0700 Subject: [PATCH 3/3] Fix phoney notebook --- notebooks/phonopy_example.ipynb | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/notebooks/phonopy_example.ipynb b/notebooks/phonopy_example.ipynb index 38c8bf170..848ecb87b 100644 --- a/notebooks/phonopy_example.ipynb +++ b/notebooks/phonopy_example.ipynb @@ -1254,8 +1254,8 @@ }, "outputs": [], "source": [ - "freq_i = phon_vac_i.phonopy.get_frequencies(0)[3:] \n", - "freq_ts = phon_vac_i.phonopy.get_frequencies(0)[4:]" + "freq_i = phon_vac_i.phonopy.get_frequencies((0, 0, 0))[3:] \n", + "freq_ts = phon_vac_i.phonopy.get_frequencies((0, 0, 0))[4:]" ] }, {