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Install aiida-workgraph from conda #28

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Merged
merged 5 commits into from
Mar 22, 2025
Merged

Install aiida-workgraph from conda #28

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f5cf8ef
Update environment.yml
jan-janssen Mar 22, 2025
5cd4384
Update pyproject.toml
jan-janssen Mar 22, 2025
4fb14dd
Update pyproject.toml
jan-janssen Mar 22, 2025
e2979a8
Update pyproject.toml
jan-janssen Mar 22, 2025
9abf299
Merge remote-tracking branch 'origin/main' into workgraphconda
jan-janssen Mar 22, 2025
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4 changes: 1 addition & 3 deletions environment.yml
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Expand Up @@ -11,6 +11,4 @@ dependencies:
- jobflow=0.1.19
- pygraphviz=1.14
- optimade=1.2.3
- pip
- pip:
- aiida-workgraph>=0.5.0a6
- aiida-workgraph=0.5.0
7 changes: 2 additions & 5 deletions python_workflow_definition/pyproject.toml
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Expand Up @@ -9,12 +9,9 @@ description = "Python Workflow Definition for the Ab initio Description of Iron
authors = [
{ name = "Jan Janssen", email = "janssen@mpie.de" },
{ name = "Janine George", email = "janine.geogre@bam.de" },
{ name = "Julian Geiger", email = "julian.geiger@psi.ch" },
{ name = "Marnik Bercx", email = "marnik.bercx@psi.ch" },
{ name = "Christina Ertural", email = "christina.ertural@bam.de" },
{ name = "Joerg Schaarschmidt", email = "joerg.schaarschmidt@kit.edu" },
{ name = "Sam Dareska" },
{ name = "Leopold Talirz", email = "leopold.talirz@gmail.com" },
{ name = "Julian Geiger", email = "julian.geiger@psi.ch" },
]
license = { text = "MIT" }
dependencies = ["jobflow", "pyiron_base", "aiida-workgraph>=0.5.0a6"]
dependencies = ["jobflow", "pyiron_base", "aiida-workgraph"]
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