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New SEAMM package database
0. geometry-analysis-step changed from 2025.2.9 to 2025.3.4 1. molsystem changed from 2025.2.23 to 2025.3.4 2. read-structure-step changed from 2025.1.15 to 2025.3.4 3. seamm changed from 2025.2.24 to 2025.3.4 4. subflowchart-step changed from 2024.11.18 to 2025.3.4
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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": "2025-03-03T22:36:56.075180+00:00",
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"doi": "10.5281/zenodo.14963255",
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"date": "2025-03-05T05:24:00.325392+00:00",
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"doi": "10.5281/zenodo.14970076",
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"metadata": {
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"3rd-party plug-in": {
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"pyxtal-step": {
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"repository": "pypi"
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},
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"seamm-geometric": {
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"description": "Connectro between geomeTRIC and SEAMM",
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"description": "Connector between geomeTRIC and SEAMM",
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"repository": "pypi"
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},
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"seamm-installer": {
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"channel": "pypi",
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"description": "A SEAMM plug-in for analysis of the geometry of (small) molecules",
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"type": "MolSSI plug-in",
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"version": "2025.2.9"
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"version": "2025.3.4"
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},
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"lammps-step": {
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"channel": "pypi",
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"channel": "conda-forge",
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"description": "The molecular/crystal data model for SEAMM",
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"type": "Core package",
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"version": "2025.2.23"
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"version": "2025.3.4"
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},
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"mopac-step": {
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"channel": "pypi",
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"channel": "pypi",
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"description": "A SEAMM plug-in to read structures from file formats common in computational chemistry",
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"type": "MolSSI plug-in",
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"version": "2025.1.15"
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"version": "2025.3.4"
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},
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"seamm": {
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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": "2025.2.24"
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"version": "2025.3.4"
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},
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"seamm-ase": {
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"channel": "pypi",
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},
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"seamm-geometric": {
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"channel": "pypi",
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"description": "Connectro between geomeTRIC and SEAMM",
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"description": "Connector between geomeTRIC and SEAMM",
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"type": "Core package",
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"version": "2025.2.7"
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},
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"channel": "pypi",
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"description": "A SEAMM plug-in for subflowcharts",
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"type": "MolSSI plug-in",
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"version": "2024.11.18"
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"version": "2025.3.4"
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},
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"supercell-step": {
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"channel": "pypi",

environments/seamm_pinned.yml

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- python
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# Core packages
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- molsystem==2025.2.23
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- seamm==2025.2.24
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- molsystem==2025.3.4
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- seamm==2025.3.4
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- seamm-dashboard==2024.6.2
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- seamm-datastore==2024.6.2
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- seamm-installer==2024.4.22
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- forcefield-step==2024.12.14
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- from-smiles-step==2025.2.24
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- gaussian-step==2025.1.31
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- geometry-analysis-step==2025.2.9
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- geometry-analysis-step==2025.3.4
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- lammps-step==2025.2.7
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- loop-step==2024.12.23
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- mopac-step==2025.2.23
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- quickmin-step==2025.2.24
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- rdkit-step==2023.2.22
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- reaction-path-step==2024.12.14
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- read-structure-step==2025.1.15
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- read-structure-step==2025.3.4
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- set-cell-step==2021.10.14
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- strain-step==2022.11.7
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- structure-step==2024.10.24
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- subflowchart-step==2024.11.18
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- subflowchart-step==2025.3.4
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- supercell-step==2023.11.5
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- table-step==2023.11.10
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- thermal-conductivity-step==2024.6.3

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