diff --git a/environments/SEAMM_packages.json b/environments/SEAMM_packages.json index 8171bf5..0a1732f 100644 --- a/environments/SEAMM_packages.json +++ b/environments/SEAMM_packages.json @@ -1,7 +1,7 @@ { "conceptdoi": "10.5281/zenodo.7789853", - "date": "2024-08-23T05:35:57.180652+00:00", - "doi": "10.5281/zenodo.13363935", + "date": "2024-08-24T05:35:37.157535+00:00", + "doi": "10.5281/zenodo.13368538", "packages": { "control-parameters-step": { "channel": "pypi", @@ -61,7 +61,7 @@ "channel": "pypi", "description": "A SEAMM plugin for A SEAMM plug-in for Gaussian", "type": "MolSSI plug-in", - "version": "2024.7.27" + "version": "2024.8.23" }, "geometry-analysis-step": { "channel": "pypi", @@ -79,7 +79,7 @@ "channel": "pypi", "description": "A SEAMM plug-in which provides loops in flowcharts.", "type": "MolSSI plug-in", - "version": "2024.8.21" + "version": "2024.8.23" }, "molsystem": { "channel": "conda-forge", @@ -139,7 +139,7 @@ "channel": "pypi", "description": "A SEAMM plug-in to read common formats in computational chemistry", "type": "MolSSI plug-in", - "version": "2024.7.28" + "version": "2024.8.23" }, "reference-handler": { "channel": "conda-forge", diff --git a/environments/seamm_pinned.yml b/environments/seamm_pinned.yml index 60561ff..7c15460 100644 --- a/environments/seamm_pinned.yml +++ b/environments/seamm_pinned.yml @@ -46,10 +46,10 @@ dependencies: - fhi-aims-step==2024.7.30 - forcefield-step==2024.6.30 - from-smiles-step==2023.11.10 - - gaussian-step==2024.7.27 + - gaussian-step==2024.8.23 - geometry-analysis-step==2023.1.14 - lammps-step==2024.8.22 - - loop-step==2024.8.21 + - loop-step==2024.8.23 - mopac-step==2024.8.21 - packmol-step==2024.7.25 - properties-step==2023.7.31 @@ -57,7 +57,7 @@ dependencies: - qcarchive-step==2023.3.30 - quickmin-step==2024.5.7 - rdkit-step==2023.2.22 - - read-structure-step==2024.7.28 + - read-structure-step==2024.8.23 - set-cell-step==2021.10.14 - strain-step==2022.11.7 - supercell-step==2023.11.5