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

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merged 2 commits into from
Sep 13, 2024

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Updated the required nomad-lab version to 1.3.6 and added a warning that users have to use the index url to the readme.

@hampusnasstrom hampusnasstrom self-assigned this Sep 13, 2024
@hampusnasstrom hampusnasstrom linked an issue Sep 13, 2024 that may be closed by this pull request
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@ka-sarthak ka-sarthak left a comment

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Given that now we require index-url for the pip install, we can still keep using the dev versions, considering we know that 1.3.6 has some issues. And once a stable release (1.3.7) is available, we can directly bump to this one.
Also, there's a related PR: #79.

@@ -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.

@hampusnasstrom hampusnasstrom linked an issue Sep 13, 2024 that may be closed by this pull request
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Looks good! Thanks for clarifying.

@hampusnasstrom hampusnasstrom merged commit b6f5f12 into main Sep 13, 2024
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@hampusnasstrom hampusnasstrom deleted the 84-install-via-pip-fails-with-current-version branch September 13, 2024 11:55
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Install via pip fails with current version Remove dev from nomad-lab dependency
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