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New SEAMM package database
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0. seamm-exec changed from 2024.2.15 to 2024.2.29
1. psi4-step changed from 2024.1.11 to 2024.2.29
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GitHub Action committed Feb 29, 2024
1 parent 1f3ef41 commit 663d0d3
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Showing 2 changed files with 4 additions and 4 deletions.
4 changes: 2 additions & 2 deletions environments/SEAMM_packages.json
Original file line number Diff line number Diff line change
Expand Up @@ -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",
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"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",
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4 changes: 2 additions & 2 deletions environments/seamm.yml
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Expand Up @@ -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
Expand All @@ -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
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