From e1dcfcce4b6e173afcf61113f9e3a5ef3472d324 Mon Sep 17 00:00:00 2001 From: GitHub Action Date: Fri, 23 Aug 2024 05:36:02 +0000 Subject: [PATCH] New SEAMM package database 0. seamm-util changed from 2024.8.1 to 2024.8.22 1. lammps-step changed from 2024.7.31 to 2024.8.22 --- environments/SEAMM_packages.json | 8 ++++---- environments/seamm_pinned.yml | 4 ++-- 2 files changed, 6 insertions(+), 6 deletions(-) diff --git a/environments/SEAMM_packages.json b/environments/SEAMM_packages.json index d576565..8171bf5 100644 --- a/environments/SEAMM_packages.json +++ b/environments/SEAMM_packages.json @@ -1,7 +1,7 @@ { "conceptdoi": "10.5281/zenodo.7789853", - "date": "2024-08-22T05:35:24.961625+00:00", - "doi": "10.5281/zenodo.13358140", + "date": "2024-08-23T05:35:57.180652+00:00", + "doi": "10.5281/zenodo.13363935", "packages": { "control-parameters-step": { "channel": "pypi", @@ -73,7 +73,7 @@ "channel": "pypi", "description": "A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.", "type": "MolSSI plug-in", - "version": "2024.7.31" + "version": "2024.8.22" }, "loop-step": { "channel": "pypi", @@ -199,7 +199,7 @@ "channel": "conda-forge", "description": "seamm_util", "type": "Core package", - "version": "2024.8.1" + "version": "2024.8.22" }, "seamm-widgets": { "channel": "conda-forge", diff --git a/environments/seamm_pinned.yml b/environments/seamm_pinned.yml index faf7534..60561ff 100644 --- a/environments/seamm_pinned.yml +++ b/environments/seamm_pinned.yml @@ -23,7 +23,7 @@ dependencies: - seamm-datastore==2024.6.2 - seamm-ff-util==2024.6.27 - seamm-installer==2024.4.22 - - seamm-util==2024.8.1 + - seamm-util==2024.8.22 - seamm-widgets==2024.7.21 # MolSSI plug-ins @@ -48,7 +48,7 @@ dependencies: - from-smiles-step==2023.11.10 - gaussian-step==2024.7.27 - geometry-analysis-step==2023.1.14 - - lammps-step==2024.7.31 + - lammps-step==2024.8.22 - loop-step==2024.8.21 - mopac-step==2024.8.21 - packmol-step==2024.7.25