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New SEAMM package database
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0. seamm-util changed from 2024.8.1 to 2024.8.22
1. lammps-step changed from 2024.7.31 to 2024.8.22
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GitHub Action committed Aug 23, 2024
1 parent 4cdc684 commit e1dcfcc
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Showing 2 changed files with 6 additions and 6 deletions.
8 changes: 4 additions & 4 deletions environments/SEAMM_packages.json
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@@ -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",
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"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",
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"channel": "conda-forge",
"description": "seamm_util",
"type": "Core package",
"version": "2024.8.1"
"version": "2024.8.22"
},
"seamm-widgets": {
"channel": "conda-forge",
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4 changes: 2 additions & 2 deletions environments/seamm_pinned.yml
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Expand Up @@ -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
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- 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
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