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lines changed Original file line number Diff line number Diff line change 1- conda env create -n preprocessing -f source/envs/preprocessing.yaml -y
2- conda env create -n processing -f source/envs/processing.yaml -y
3- conda env create -n postprocessing -f source/envs/postprocessing.yaml -y
4- conda env update --name base --file environment_qe.yml
5- pip install -e qe_xml_parser
1+ conda env create -n preprocessing -f example_workflows/nfdi/ source/envs/preprocessing.yaml -y
2+ conda env create -n processing -f example_workflows/nfdi/ source/envs/processing.yaml -y
3+ conda env create -n postprocessing -f example_workflows/nfdi/ source/envs/postprocessing.yaml -y
4+ conda env update --name base --file example_workflows/quantum_espresso/ environment_qe.yml
5+ pip install -e example_workflows/quantum_espresso/ qe_xml_parser
66pip install -e python_workflow_definition
77verdi presto --profile-name pwd
8+ mv example_workflows/quantum_espresso/espresso ~
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