From 663d0d3f01a5ce99c194015e4b940ecd89edf301 Mon Sep 17 00:00:00 2001 From: GitHub Action Date: Thu, 29 Feb 2024 22:09:55 +0000 Subject: [PATCH] New SEAMM package database 0. seamm-exec changed from 2024.2.15 to 2024.2.29 1. psi4-step changed from 2024.1.11 to 2024.2.29 --- environments/SEAMM_packages.json | 4 ++-- environments/seamm.yml | 4 ++-- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/environments/SEAMM_packages.json b/environments/SEAMM_packages.json index a418248..2d69430 100644 --- a/environments/SEAMM_packages.json +++ b/environments/SEAMM_packages.json @@ -99,7 +99,7 @@ "channel": "pypi", "description": "A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4", "type": "MolSSI plug-in", - "version": "2024.1.11" + "version": "2024.2.29" }, "pyxtal-step": { "channel": "pypi", @@ -159,7 +159,7 @@ "channel": "pypi", "description": "Classes to execute background codes for SEAMM", "type": "Core package", - "version": "2024.2.15" + "version": "2024.2.29" }, "seamm-ff-util": { "channel": "conda-forge", diff --git a/environments/seamm.yml b/environments/seamm.yml index b7090a9..5eb03cd 100644 --- a/environments/seamm.yml +++ b/environments/seamm.yml @@ -28,7 +28,7 @@ dependencies: # PyPi packages - pip: # Core packages - - seamm-exec==2024.2.15 + - seamm-exec==2024.2.29 - seamm-jobserver==2024.1.17 # MolSSI plug-ins @@ -47,7 +47,7 @@ dependencies: - mopac-step==2024.2.10.1 - packmol-step==2024.1.16 - properties-step==2023.7.31 - - psi4-step==2024.1.11 + - psi4-step==2024.2.29 - qcarchive-step==2023.3.30 - quickmin-step==2023.11.15 - rdkit-step==2023.2.22