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Merged
jan-janssen merged 6 commits into from
Apr 2, 2025
Merged

Sort by workflows #38

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jan-janssen Apr 2, 2025
1f19d69
fix simple workflow
jan-janssen Apr 2, 2025
219c911
fix environment
jan-janssen Apr 2, 2025
06730e4
remove quantum espresso parser from simple workflow
jan-janssen Apr 2, 2025
bf39b6a
update readme
jan-janssen Apr 2, 2025
b5f4349
Merge branch 'main' into split_environments
jan-janssen Apr 2, 2025
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fix environment
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@jan-janssen
jan-janssen committed Apr 2, 2025
commit 219c911282a42a3f78aa995c6187597013be6340
1 change: 1 addition & 0 deletions environment.yml
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Expand Up @@ -5,4 +5,5 @@ dependencies:
- aiida-workgraph=0.5.0
- jobflow=0.1.19
- pyiron_base=0.11.8
- pygraphviz=1.14

1 change: 0 additions & 1 deletion environment_qe.yml
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Expand Up @@ -4,7 +4,6 @@ dependencies:
- ase=3.24.0
- matplotlib=3.10.1
- xmlschema=3.4.3
- pygraphviz=1.14
- optimade=1.2.3
- qe=7.2
- qe-tools=2.0.0