New SEAMM package database

0. seamm changed from 2024.6.27 to 2024.7.21
1. seamm-widgets changed from 2024.5.1 to 2024.7.21
2. diffusivity-step changed from 2024.7.15 to 2024.7.21
3. lammps-step changed from 2024.6.28.1 to 2024.7.21.1

environments/SEAMM_packages.json

@@ -1,7 +1,7 @@
 {
  "conceptdoi": "10.5281/zenodo.7789853",
- "date": "2024-07-16T05:32:38.734309+00:00",
- "doi": "10.5281/zenodo.12747707",
+ "date": "2024-07-22T05:34:24.577034+00:00",
+ "doi": "10.5281/zenodo.12792449",
  "packages": {
  "control-parameters-step": {
  "channel": "pypi",
@@ -31,7 +31,7 @@
  "channel": "pypi",
  "description": "A SEAMM plug-in for Diffusivity",
  "type": "MolSSI plug-in",
- "version": "2024.7.15"
+ "version": "2024.7.21"
  },
  "energy-scan-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": "2024.6.28.1"
+ "version": "2024.7.21.1"
  },
  "loop-step": {
  "channel": "pypi",
@@ -151,7 +151,7 @@
  "channel": "conda-forge",
  "description": "The core of the SEAMM environment and graphical interface.",
  "type": "Core package",
- "version": "2024.6.27"
+ "version": "2024.7.21"
  },
  "seamm-dashboard": {
  "channel": "conda-forge",
@@ -199,7 +199,7 @@
  "channel": "conda-forge",
  "description": "seamm_widgets",
  "type": "Core package",
- "version": "2024.5.1"
+ "version": "2024.7.21"
  },
  "set-cell-step": {
  "channel": "pypi",

environments/seamm_pinned.yml

@@ -18,13 +18,13 @@ dependencies:
 # Core packages
  - molsystem==2024.6.21
  - reference-handler==0.9.1
- - seamm==2024.6.27
+ - seamm==2024.7.21
  - seamm-dashboard==2024.6.2
  - seamm-datastore==2024.6.2
  - seamm-ff-util==2024.6.27
  - seamm-installer==2024.4.22
  - seamm-util==2024.7.15
- - seamm-widgets==2024.5.1
+ - seamm-widgets==2024.7.21
 
  # MolSSI plug-ins
 
@@ -41,14 +41,14 @@ dependencies:
  - crystal-builder-step==2022.7.31
  - custom-step==2023.12.12
  - dftbplus-step==2024.4.24
- - diffusivity-step==2024.7.15
+ - diffusivity-step==2024.7.21
  - energy-scan-step==2024.5.23
  - fhi-aims-step==2024.1.19
  - forcefield-step==2024.6.30
  - from-smiles-step==2023.11.10
  - gaussian-step==2024.6.5
  - geometry-analysis-step==2023.1.14
- - lammps-step==2024.6.28.1
+ - lammps-step==2024.7.21.1
  - loop-step==2023.11.9
  - mopac-step==2024.5.14.2
  - packmol-step==2024.6.29