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New SEAMM package database
0. seamm changed from 2024.11.3 to 2024.11.29 1. read-structure-step changed from 2024.11.13 to 2024.11.29
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environments/SEAMM_packages.json

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{
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"conceptdoi": "10.5281/zenodo.7789853",
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"date": "2024-11-28T05:41:48.165685+00:00",
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"doi": "10.5281/zenodo.14233549",
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"date": "2024-11-30T05:39:35.399661+00:00",
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"doi": "10.5281/zenodo.14249269",
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"packages": {
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"control-parameters-step": {
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"channel": "pypi",
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"channel": "pypi",
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"description": "A SEAMM plug-in to read common formats in computational chemistry",
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"type": "MolSSI plug-in",
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"version": "2024.11.13"
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"version": "2024.11.29"
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},
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"reference-handler": {
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"channel": "conda-forge",
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"channel": "conda-forge",
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"description": "The core of the SEAMM environment and graphical interface.",
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"type": "Core package",
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"version": "2024.11.3"
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"version": "2024.11.29"
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},
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"seamm-ase": {
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"channel": "pypi",

environments/seamm_pinned.yml

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# Core packages
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- molsystem==2024.11.27.1
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- reference-handler==0.9.1
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- seamm==2024.11.3
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- seamm==2024.11.29
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- seamm-dashboard==2024.6.2
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- seamm-datastore==2024.6.2
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- seamm-ff-util==2024.6.27
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- qcarchive-step==2023.3.30
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- quickmin-step==2024.5.7
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- rdkit-step==2023.2.22
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- read-structure-step==2024.11.13
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- read-structure-step==2024.11.29
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- set-cell-step==2021.10.14
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- strain-step==2022.11.7
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- supercell-step==2023.11.5

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