From 3924be3478e6ac07970128f35493a4d6790e6d50 Mon Sep 17 00:00:00 2001
From: GitHub Action <github-action@users.noreply.github.com>
Date: Tue, 6 Aug 2024 05:37:18 +0000
Subject: [PATCH] New SEAMM package database

0. molsystem changed from 2024.6.21 (conda-forge) to 2024.8.5 (pypi)
---
 environments/SEAMM_packages.json | 8 ++++----
 environments/seamm.yml           | 2 +-
 environments/seamm_pinned.yml    | 2 +-
 3 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/environments/SEAMM_packages.json b/environments/SEAMM_packages.json
index 69c8118..f174fe9 100644
--- a/environments/SEAMM_packages.json
+++ b/environments/SEAMM_packages.json
@@ -1,7 +1,7 @@
 {
     "conceptdoi": "10.5281/zenodo.7789853",
-    "date": "2024-08-05T05:36:49.915992+00:00",
-    "doi": "10.5281/zenodo.13218854",
+    "date": "2024-08-06T05:37:11.860021+00:00",
+    "doi": "10.5281/zenodo.13234105",
     "packages": {
         "control-parameters-step": {
             "channel": "pypi",
@@ -82,10 +82,10 @@
             "version": "2024.7.30"
         },
         "molsystem": {
-            "channel": "conda-forge",
+            "channel": "pypi",
             "description": "molsystem",
             "type": "Core package",
-            "version": "2024.6.21"
+            "version": "2024.8.5"
         },
         "mopac-step": {
             "channel": "pypi",
diff --git a/environments/seamm.yml b/environments/seamm.yml
index 3200b81..24e389e 100644
--- a/environments/seamm.yml
+++ b/environments/seamm.yml
@@ -14,7 +14,6 @@ dependencies:
     # qcportal requires apsw, which needs compiling and hence problems.
   - qcportal
 
-  - molsystem
   - reference-handler
   - seamm
   - seamm-dashboard
@@ -31,6 +30,7 @@ dependencies:
     # PyPi packages
   - pip:
     # Core packages
+    - molsystem
     - seamm-exec
     - seamm-jobserver
 
diff --git a/environments/seamm_pinned.yml b/environments/seamm_pinned.yml
index 85a033c..578fd7e 100644
--- a/environments/seamm_pinned.yml
+++ b/environments/seamm_pinned.yml
@@ -16,7 +16,6 @@ dependencies:
 
 
 # Core packages
-  - molsystem==2024.6.21
   - reference-handler==0.9.1
   - seamm==2024.7.28
   - seamm-dashboard==2024.6.2
@@ -33,6 +32,7 @@ dependencies:
     # PyPi packages
   - pip:
     # Core packages
+    - molsystem==2024.8.5
     - seamm-exec==2024.7.25
     - seamm-jobserver==2024.3.12