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New SEAMM package database
0. quickmin-step changed from 2024.5.3 to 2024.5.7
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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": "2024-05-07T09:02:21.032230+00:00",
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"doi": "10.5281/zenodo.11125178",
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"date": "2024-05-08T05:33:04.401245+00:00",
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"doi": "10.5281/zenodo.11141315",
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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 for simple, quick minimization",
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"type": "MolSSI plug-in",
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"version": "2024.5.3"
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"version": "2024.5.7"
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},
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"rdkit-step": {
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"channel": "pypi",

environments/seamm_pinned.yml

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- properties-step==2023.7.31
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- psi4-step==2024.3.17
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- qcarchive-step==2023.3.30
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- quickmin-step==2024.5.3
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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==2023.11.16
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- set-cell-step==2021.10.14

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