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warning: The package atomate2 @ file:///home/werner/Public/repo/github.com/materialsproject/atomate2.git does not have an extra named fireworks. #1033

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hongyi-zhao opened this issue Nov 1, 2024 · 1 comment · Fixed by #1035
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warning: The package atomate2 @ file:///home/werner/Public/repo/github.com/materialsproject/atomate2.git does not have an extra named fireworks. #1033

hongyi-zhao opened this issue Nov 1, 2024 · 1 comment · Fixed by #1035

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@hongyi-zhao
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See below:

(datasci) werner@x13dai-t:~/Public/repo/github.com/materialsproject/atomate2.git$ proxychains-ng-socks5 uv pip install -e .[fireworks,amset,dev,tests,docs] --config-settings editable_mode=compat
Resolved 174 packages in 2.54s
   Built atomate2 @ file:///home/werner/Public/repo/github.com/materialsproject/atomate2.git
Downloaded 1 package in 2.46s
Uninstalled 1 package in 0.88ms
Installed 1 package in 2ms
 - atomate2==0.0.17.post19+g9c4447c9 (from file:///home/werner/Public/repo/github.com/materialsproject/atomate2.git)
 + atomate2==0.0.17.post19+g9c4447c9 (from file:///home/werner/Public/repo/github.com/materialsproject/atomate2.git)
warning: The package `atomate2 @ file:///home/werner/Public/repo/github.com/materialsproject/atomate2.git` does not have an extra named `fireworks`.

So, the documentation needs to be fixed:

If you are planning to use atomate2 with fireworks, you can install the optional fireworks components:

pip install atomate2[fireworks]

Regards,
Zhao
@JaGeo
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JaGeo commented Nov 1, 2024

Thank you @hongyi-zhao . You are invited to do a pull request with the fix. 😀

@hongyi-zhao hongyi-zhao mentioned this issue Nov 1, 2024
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@JaGeo JaGeo closed this as completed in 6266093 Nov 1, 2024
hrushikesh-s pushed a commit to hrushikesh-s/atomate2 that referenced this issue Nov 16, 2024
@hongyi-zhao @hrushikesh-s
feat: add dedicated fireworks optional dependency (Fix materialsproje…
8a3f1e4 
…ct#1033). (materialsproject#1035)

* feat: add dedicated fireworks optional dependency

Move FireWorks dependency from docs and tests to its own optional dependency
group. This allows users to explicitly install FireWorks components with
`pip install atomate2[fireworks]` and makes the dependency structure more
modular and clear.

* Update pyproject.toml

* fix little typo.
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feat: add dedicated fireworks optional dependency (Fix #1033). hongyi-zhao/atomate2
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@hongyi-zhao @JaGeo