From 1183c6b65c4c59367f91dd9415de296d70122c37 Mon Sep 17 00:00:00 2001 From: GitHub Action Date: Thu, 21 Mar 2024 05:32:03 +0000 Subject: [PATCH] New SEAMM package database 0. packmol-step changed from 2024.3.19 to 2024.3.20.2 --- environments/SEAMM_packages.json | 2 +- environments/seamm.yml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/environments/SEAMM_packages.json b/environments/SEAMM_packages.json index 65a8753..da76e0e 100644 --- a/environments/SEAMM_packages.json +++ b/environments/SEAMM_packages.json @@ -87,7 +87,7 @@ "channel": "pypi", "description": "A SEAMM plug-in for building periodic boxes of fluid using Packmol", "type": "MolSSI plug-in", - "version": "2024.3.19" + "version": "2024.3.20.2" }, "properties-step": { "channel": "pypi", diff --git a/environments/seamm.yml b/environments/seamm.yml index c1efb75..bb7d60b 100644 --- a/environments/seamm.yml +++ b/environments/seamm.yml @@ -45,7 +45,7 @@ dependencies: - lammps-step==2024.1.18 - loop-step==2023.11.9 - mopac-step==2024.3.17 - - packmol-step==2024.3.19 + - packmol-step==2024.3.20.2 - properties-step==2023.7.31 - psi4-step==2024.3.17 - qcarchive-step==2023.3.30