From f30c78f326e2db1757585536c8bf80b3dd3e7c77 Mon Sep 17 00:00:00 2001
From: GitHub Action <github-action@users.noreply.github.com>
Date: Sat, 23 Mar 2024 05:31:52 +0000
Subject: [PATCH] New SEAMM package database

0. seamm added to SEAMM
1. seamm-util added to SEAMM
2. seamm-installer added to SEAMM
3. seamm-dashboard added to SEAMM
4. seamm-widgets added to SEAMM
5. seamm-jobserver added to SEAMM
6. seamm-datastore added to SEAMM
7. seamm-exec added to SEAMM
8. qcarchive-step added to SEAMM
9. rdkit-step added to SEAMM
10. torchani-step added to SEAMM
11. properties-step added to SEAMM
12. geometry-analysis-step added to SEAMM
13. fhi-aims-step added to SEAMM
14. set-cell-step added to SEAMM
15. diffusivity-step added to SEAMM
16. strain-step added to SEAMM
17. thermal-conductivity-step added to SEAMM
18. supercell-step added to SEAMM
19. crystal-builder-step added to SEAMM
20. custom-step added to SEAMM
21. seamm-ff-util added to SEAMM
22. table-step added to SEAMM
23. gaussian-step added to SEAMM
24. read-structure-step added to SEAMM
25. from-smiles-step added to SEAMM
26. pyxtal-step added to SEAMM
27. packmol-step added to SEAMM
28. loop-step added to SEAMM
29. control-parameters-step added to SEAMM
30. psi4-step added to SEAMM
31. quickmin-step added to SEAMM
32. mopac-step added to SEAMM
33. forcefield-step added to SEAMM
34. lammps-step added to SEAMM
35. dftbplus-step added to SEAMM
36. molsystem added to SEAMM
37. reference-handler added to SEAMM
---
 environments/SEAMM_packages.json | 6 +++---
 environments/seamm.yml           | 4 ++--
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/environments/SEAMM_packages.json b/environments/SEAMM_packages.json
index b4d1745..7730c11 100644
--- a/environments/SEAMM_packages.json
+++ b/environments/SEAMM_packages.json
@@ -1,5 +1,5 @@
 {
-    "date": "2024-03-22T17:09:11.800901+00:00",
+    "date": "2024-03-23T05:31:52.076710+00:00",
     "doi": "10.5281/zenodo.7860696",
     "packages": {
         "control-parameters-step": {
@@ -66,7 +66,7 @@
             "channel": "pypi",
             "description": "A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.",
             "type": "MolSSI plug-in",
-            "version": "2024.3.21"
+            "version": "2024.3.22"
         },
         "loop-step": {
             "channel": "pypi",
@@ -222,7 +222,7 @@
             "channel": "pypi",
             "description": "A SEAMM plug-in for Thermal Conductivity",
             "type": "MolSSI plug-in",
-            "version": "2024.1.5"
+            "version": "2024.3.22"
         },
         "torchani-step": {
             "channel": "pypi",
diff --git a/environments/seamm.yml b/environments/seamm.yml
index b113f35..ee70477 100644
--- a/environments/seamm.yml
+++ b/environments/seamm.yml
@@ -44,7 +44,7 @@ dependencies:
     - from-smiles-step==2023.11.10
     - gaussian-step==2024.1.19
     - geometry-analysis-step==2023.1.14
-    - lammps-step==2024.3.21
+    - lammps-step==2024.3.22
     - loop-step==2023.11.9
     - mopac-step==2024.3.17
     - packmol-step==2024.3.20.2
@@ -58,7 +58,7 @@ dependencies:
     - strain-step==2022.11.7
     - supercell-step==2023.11.5
     - table-step==2023.11.10
-    - thermal-conductivity-step==2024.1.5
+    - thermal-conductivity-step==2024.3.22
     - torchani-step==2023.2.28
 
     # 3rd-party plug-ins