New SEAMM package database

0. seamm-exec changed from 2024.6.27 to 2024.7.25
1. seamm-util changed from 2024.7.15 to 2024.7.25
2. packmol-step changed from 2024.6.29 to 2024.7.25
3. lammps-step changed from 2024.7.21.1 to 2024.7.25

environments/SEAMM_packages.json

@@ -1,7 +1,7 @@
 {
  "conceptdoi": "10.5281/zenodo.7789853",
- "date": "2024-07-22T05:34:24.577034+00:00",
- "doi": "10.5281/zenodo.12792449",
+ "date": "2024-07-26T05:34:20.589357+00:00",
+ "doi": "10.5281/zenodo.12890258",
  "packages": {
  "control-parameters-step": {
  "channel": "pypi",
@@ -73,7 +73,7 @@
  "channel": "pypi",
  "description": "A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.",
  "type": "MolSSI plug-in",
- "version": "2024.7.21.1"
+ "version": "2024.7.25"
  },
  "loop-step": {
  "channel": "pypi",
@@ -97,7 +97,7 @@
  "channel": "pypi",
  "description": "A SEAMM plug-in for building periodic boxes of fluid using Packmol",
  "type": "MolSSI plug-in",
- "version": "2024.6.29"
+ "version": "2024.7.25"
  },
  "properties-step": {
  "channel": "pypi",
@@ -169,7 +169,7 @@
  "channel": "pypi",
  "description": "Classes to execute background codes for SEAMM",
  "type": "Core package",
- "version": "2024.6.27"
+ "version": "2024.7.25"
  },
  "seamm-ff-util": {
  "channel": "conda-forge",
@@ -193,7 +193,7 @@
  "channel": "conda-forge",
  "description": "seamm_util",
  "type": "Core package",
- "version": "2024.7.15"
+ "version": "2024.7.25"
  },
  "seamm-widgets": {
  "channel": "conda-forge",

environments/seamm_pinned.yml

@@ -23,7 +23,7 @@ dependencies:
  - seamm-datastore==2024.6.2
  - seamm-ff-util==2024.6.27
  - seamm-installer==2024.4.22
- - seamm-util==2024.7.15
+ - seamm-util==2024.7.25
  - seamm-widgets==2024.7.21
 
  # MolSSI plug-ins
@@ -33,7 +33,7 @@ dependencies:
  # PyPi packages
  - pip:
  # Core packages
- - seamm-exec==2024.6.27
+ - seamm-exec==2024.7.25
  - seamm-jobserver==2024.3.12
 
  # MolSSI plug-ins
@@ -48,10 +48,10 @@ dependencies:
  - from-smiles-step==2023.11.10
  - gaussian-step==2024.6.5
  - geometry-analysis-step==2023.1.14
- - lammps-step==2024.7.21.1
+ - lammps-step==2024.7.25
  - loop-step==2023.11.9
  - mopac-step==2024.5.14.2
- - packmol-step==2024.6.29
+ - packmol-step==2024.7.25
  - properties-step==2023.7.31
  - psi4-step==2024.5.23.3
  - qcarchive-step==2023.3.30