diff --git a/environments/SEAMM_packages.json b/environments/SEAMM_packages.json index d2db3de..c8854d6 100644 --- a/environments/SEAMM_packages.json +++ b/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", diff --git a/environments/seamm_pinned.yml b/environments/seamm_pinned.yml index 946ee4f..ad5f524 100644 --- a/environments/seamm_pinned.yml +++ b/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