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Update required nomad-lab version and add warning to README #86

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Sep 13, 2024
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Update required nomad-lab version and add warning to README #86

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bf4e6c9
Added index url instructions to README.md
hampusnasstrom Sep 13, 2024
779e70a
Update required nomad-lab version to 1.3.6
hampusnasstrom Sep 13, 2024
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8 changes: 6 additions & 2 deletions README.md
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Expand Up @@ -8,9 +8,13 @@ This is a plugin for [NOMAD](https://nomad-lab.eu) which contains base sections
material processing.

## Getting started
`nomad-material-processing` can be installed from PyPI using `pip`:
`nomad-material-processing` can be installed from PyPI using `pip`.

> [!WARNING]
> Unfortunately, the current plugin mechanism is not supported by the latest nomad-lab version on PyPI and therefore an index url pointing to the NOMAD Gitlab registry needs to be added.

```sh
pip install nomad-material-processing
pip install nomad-material-processing --index-url https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple
```

### Setting up your OASIS
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2 changes: 1 addition & 1 deletion pyproject.toml
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Expand Up @@ -28,7 +28,7 @@ authors = [
]
license = { file = "LICENSE" }
dependencies = [
"nomad-lab>=1.3.4dev",
"nomad-lab>=1.3.6",
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Given that now we require index-url for the pip install, we can still keep using the dev version (>=1.3.4dev)

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But 1.3.4.dev fails, no? We should require what is actually required to run the plugin or what do you mean?

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No, 1.3.4dev works because it pulls whatever latest dev (1.3.7devNN) is available on the registry

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For the issue that Fabian is facing, I think using the index-URL should solve it for him as you mentioned on the issue, as now when pip installing, the latest dev of nomad-lab will be pulled.

For the general milestone issue that we need a stable version as a dependency, we only have 1.3.6 as the current viable option (as 1.3.4 would fail the pytest). However, as you pointed out in today's discussion, there are some important issues not addressed in 1.3.6 and we should wait for a 1.3.7 #79 (comment)

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@hampusnasstrom hampusnasstrom Sep 13, 2024 •
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That is not how a dependency works @ka-sarthak. If I write numpy >= 1.3.4 in the toml it will pull the latest from PyPI which is 2.1.1 but by listing numpy >= 1.3.4 in the toml we are saying that it should work with anything above and including that version! If we put 1.3.4.dev in our toml and someone has 1.3.4.dev32 installed locally they will not get nomad-lab updated and the solution class will not work. Do you understand what I mean?

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I think you are right when it comes to pip updating the version of an already installed package. I always tested it with a fresh environment, so 1.3.4dev picked the latest dev, for example, 1.3.7.dev{something}, and never encountered the issue you pointed above. Let's use 1.3.6 then.

]

[project.urls]
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