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Use Python functionality to create AiiDA profiles instead of templates #184

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CasperWA opened this issue Jan 8, 2021 · 0 comments
Open

Use Python functionality to create AiiDA profiles instead of templates #184

CasperWA opened this issue Jan 8, 2021 · 0 comments
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Docker Related to the Dockerfile or docker-compose.yml enhancement New feature or request

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@CasperWA
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CasperWA commented Jan 8, 2021

To this end, one can implement something similar to what @ltalirz has already implemented for Materials Cloud-related applications:

https://github.com/materialscloud-org/structure-property-visualizer/blob/1a93476852400cd434937d864fb945e22ef410d5/figure/aiida.py#L9-L43

https://github.com/materialscloud-org/structure-property-visualizer/blob/1a93476852400cd434937d864fb945e22ef410d5/Dockerfile#L18-L31
@CasperWA CasperWA added enhancement New feature or request Docker Related to the Dockerfile or docker-compose.yml labels Jan 8, 2021
@CasperWA CasperWA mentioned this issue Jan 8, 2021
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