diff --git a/environments/SEAMM_packages.json b/environments/SEAMM_packages.json index 911ec91..7212bf6 100644 --- a/environments/SEAMM_packages.json +++ b/environments/SEAMM_packages.json @@ -1,7 +1,7 @@ { "conceptdoi": "10.5281/zenodo.7789853", - "date": "2024-08-18T05:37:20.279041+00:00", - "doi": "10.5281/zenodo.13337187", + "date": "2024-08-19T05:35:48.355145+00:00", + "doi": "10.5281/zenodo.13340579", "packages": { "control-parameters-step": { "channel": "pypi", @@ -82,7 +82,7 @@ "version": "2024.8.16" }, "molsystem": { - "channel": "pypi", + "channel": "conda-forge", "description": "molsystem", "type": "Core package", "version": "2024.8.17" @@ -148,7 +148,7 @@ "version": "0.9.1" }, "seamm": { - "channel": "pypi", + "channel": "conda-forge", "description": "The core of the SEAMM environment and graphical interface.", "type": "Core package", "version": "2024.8.17" diff --git a/environments/seamm.yml b/environments/seamm.yml index e92f080..3200b81 100644 --- a/environments/seamm.yml +++ b/environments/seamm.yml @@ -14,7 +14,9 @@ dependencies: # qcportal requires apsw, which needs compiling and hence problems. - qcportal + - molsystem - reference-handler + - seamm - seamm-dashboard - seamm-datastore - seamm-ff-util @@ -29,8 +31,6 @@ dependencies: # PyPi packages - pip: # Core packages - - molsystem - - seamm - seamm-exec - seamm-jobserver diff --git a/environments/seamm_pinned.yml b/environments/seamm_pinned.yml index 9ab7763..ca788c8 100644 --- a/environments/seamm_pinned.yml +++ b/environments/seamm_pinned.yml @@ -16,7 +16,9 @@ dependencies: # Core packages + - molsystem==2024.8.17 - reference-handler==0.9.1 + - seamm==2024.8.17 - seamm-dashboard==2024.6.2 - seamm-datastore==2024.6.2 - seamm-ff-util==2024.6.27 @@ -31,8 +33,6 @@ dependencies: # PyPi packages - pip: # Core packages - - molsystem==2024.8.17 - - seamm==2024.8.17 - seamm-exec==2024.7.25 - seamm-jobserver==2024.3.12