From 3ab4e2e75a572324bffe9e2366802a13b6f2e813 Mon Sep 17 00:00:00 2001 From: GitHub Action Date: Sun, 12 May 2024 14:49:27 +0000 Subject: [PATCH] New SEAMM package database 0. torchani-step changed from 2023.2.28 to 2024.5.12 --- environments/SEAMM_packages.json | 6 +++--- environments/seamm_pinned.yml | 2 +- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/environments/SEAMM_packages.json b/environments/SEAMM_packages.json index e95e182..096a9ab 100644 --- a/environments/SEAMM_packages.json +++ b/environments/SEAMM_packages.json @@ -1,7 +1,7 @@ { "conceptdoi": "10.5281/zenodo.7789853", - "date": "2024-05-10T05:33:52.817253+00:00", - "doi": "10.5281/zenodo.11171015", + "date": "2024-05-12T14:49:18.881580+00:00", + "doi": "10.5281/zenodo.11181497", "packages": { "control-parameters-step": { "channel": "pypi", @@ -229,7 +229,7 @@ "channel": "pypi", "description": "A SEAMM plug-in for TorchANI", "type": "MolSSI plug-in", - "version": "2023.2.28" + "version": "2024.5.12" } } } \ No newline at end of file diff --git a/environments/seamm_pinned.yml b/environments/seamm_pinned.yml index c53407a..848db52 100644 --- a/environments/seamm_pinned.yml +++ b/environments/seamm_pinned.yml @@ -59,7 +59,7 @@ dependencies: - supercell-step==2023.11.5 - table-step==2023.11.10 - thermal-conductivity-step==2024.3.22 - - torchani-step==2023.2.28 + - torchani-step==2024.5.12 # 3rd-party plug-ins - pyxtal-step==2021.7.29 \ No newline at end of file