pythonworkflow · jan-janssen · Apr 12, 2025 · Apr 12, 2025 · Apr 12, 2025 · Apr 12, 2025
diff --git a/aiida_nfdi.ipynb b/aiida_nfdi.ipynb
diff --git a/aiida_qe.ipynb b/aiida_qe.ipynb
diff --git a/aiida_simple.ipynb b/aiida_simple.ipynb
diff --git a/jobflow_nfdi.ipynb b/jobflow_nfdi.ipynb
diff --git a/jobflow_qe.ipynb b/jobflow_qe.ipynb
diff --git a/jobflow_simple.ipynb b/jobflow_simple.ipynb
diff --git a/postBuild b/postBuild
@@ -1,7 +1,7 @@
-pip install -e qe_xml_parser
-pip install -e python_workflow_definition
-verdi presto --profile-name pwd
 conda env create -n preprocessing -f source/envs/preprocessing.yaml -y
 conda env create -n processing -f source/envs/processing.yaml -y
 conda env create -n postprocessing -f source/envs/postprocessing.yaml -y
-conda env update --name notebooks --file environment_qe.yml
+conda env update --name base --file environment_qe.yml
+pip install -e qe_xml_parser
+pip install -e python_workflow_definition
+verdi presto --profile-name pwd
diff --git a/pyiron_base_nfdi.ipynb b/pyiron_base_nfdi.ipynb
diff --git a/pyiron_base_qe.ipynb b/pyiron_base_qe.ipynb
diff --git a/pyiron_base_simple.ipynb b/pyiron_base_simple.ipynb