# CUBE doesn't open

**URL:** <https://discuss.avogadro.cc/t/cube-doesnt-open/7016>\
**Category:** Support\
**Created:** [June 22, 2025, 7:53pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016 "2025-06-22T19:53:24Z")\
**Posts on this page:** 14\
**Page:** 1

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**Author:** ![mandaro](https://discuss.avogadro.cc/letter_avatar_proxy/v4/letter/m/e99b99/32.png) [@mandaro](https://discuss.avogadro.cc/u/mandaro)\
**Post date:** [June 22, 2025, 7:53pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/1 "2025-06-22T19:53:24Z")

</div>

Please consider submitting issues to [GitHub](https://github.com/OpenChemistry/avogadrolibs/issues) which will enable tracking bug reports and suggestions. These will be closed and updated automatically when they are fixed – including notifications.

I believe this to be a bug with Avogadro:  
I try to open MultiWFN generated cube from ORCA output but orbitals are not plotted.

## Environment Information

Avogadro version: 1.100.0  
Operating system and version: MacOS Sequioa

## Expected Behavior

Orbitals shall appear

## Actual Behavior

Orbitals do not appear although SURFACES is ticked

## Steps to Reproduce

Load the file via Avogadro

Please upload files if appropriate here (or via file-sharing service like Dropbox or Pastebin)  
[CUBE.tar.gz](https://discuss.avogadro.cc/uploads/short-url/gYXLRFglR6B2aZAcyghDQ7R7eKI.gz) (7.9 MB)

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<div class="post-metadata">

**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\
**Post date:** [June 22, 2025, 8:16pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/2 "2025-06-22T20:16:58Z")

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Okay, I understand your UI confusion - I’ll think about the best way to address that…

In the meantime, you’ll want to create a mesh:

- Go to Analyze ⇒ Create Surfaces…
- Pick “From File” (which probably should also be the default option in this case)

 ![Create Surfaces Dialog](https://discuss.avogadro.cc/uploads/default/original/2X/f/f974f5a4791205e39740f17ee84864fcf335ef95.jpeg)

It’ll create a mesh of the orbital for you and render it.

I think your point from a user perspective is “I loaded this Cube file, I’d like to see the orbital automagically” which totally makes sense. I have to think a little bit about the best way to make that happen.

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<div class="post-metadata">

**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\
**Post date:** [June 22, 2025, 11:50pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/3 "2025-06-22T23:50:03Z")

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Okay, this patch should do it (i.e., if you read in a file with cubes, it will display a mesh by default)

> <https://github.com/OpenChemistry/avogadrolibs/pull/2053>
>
> Handles common use-case of reading in a cube file to see the surface
> 
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<div class="post-metadata">

**Author:** ![mandaro](https://discuss.avogadro.cc/letter_avatar_proxy/v4/letter/m/e99b99/32.png) [@mandaro](https://discuss.avogadro.cc/u/mandaro)\
**Post date:** [June 23, 2025, 6:14am UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/4 "2025-06-23T06:14:43Z")

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Apparently, my version of Avogadro doesn’t have an option to load a surface from a file. Is it a nightly build?

By the way, which files should I delete to reset all settings to factory defaults? I changed some options and would like to revert everything.  
It would be helpful to have a “Reset to Defaults” button somewhere in the toolbar?

 ![Zrzut ekranu 2025-06-23 o 08.14.36](https://discuss.avogadro.cc/uploads/default/original/2X/3/3629b34e06330d6627458d91df53a258cc48fe6e.png)

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<div class="post-metadata">

**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\
**Post date:** [June 23, 2025, 12:35pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/5 "2025-06-23T12:35:59Z")

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> [@mandaro](#):
>
> Apparently, my version of Avogadro doesn’t have an option to load a surface from a file. Is it a nightly build?

Yes, it’s a nightly build. If you have a GitHub account, you can try this [build](https://github.com/OpenChemistry/avogadrolibs/suites/40519238215/artifacts/3379055817). At the moment, Apple Silicon builds are offline. (I’m working to move them from a desktop in my lab to GitHub.)

> [@mandaro](#):
>
> By the way, which files should I delete to reset all settings to factory defaults?

On a Mac, you can find all your preferences in `~/Library/Preferences`. Avogadro2 is `org.openchemistry.Avogadro` but it’s often interesting to sort by date.

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<div class="post-metadata">

**Author:** ![mandaro](https://discuss.avogadro.cc/letter_avatar_proxy/v4/letter/m/e99b99/32.png) [@mandaro](https://discuss.avogadro.cc/u/mandaro)\
**Post date:** [June 24, 2025, 6:46am UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/6 "2025-06-24T06:46:02Z")

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> [@ghutchis](#):
>
> Yes, it’s a nightly build. If you have a GitHub account, you can try this [build](https://github.com/OpenChemistry/avogadrolibs/suites/40519238215/artifacts/3379055817). At the moment, Apple Silicon builds are offline. (I’m working to move them from a desktop in my lab to GitHub.)

Oh well… I’m not very comfortable compiling software, so it looks like I’ll need to wait until a ready-to-run MacOS build is available.  
Would you be able to upload a .dmg file directly?

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<div class="post-metadata">

**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\
**Post date:** [June 24, 2025, 3:32pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/7 "2025-06-24T15:32:28Z")

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Yes, it should be available through the (Intel) macOS nightly build.

The link I indicated was a DMG - but you need a GitHub account to download it.

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<div class="post-metadata">

**Author:** ![mandaro](https://discuss.avogadro.cc/letter_avatar_proxy/v4/letter/m/e99b99/32.png) [@mandaro](https://discuss.avogadro.cc/u/mandaro)\
**Post date:** [June 24, 2025, 3:48pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/8 "2025-06-24T15:48:53Z")

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I have a GitHub account, but earlier, downloading the file didn’t give me a DMG — it was some CMake config file instead. Interestingly, now it downloaded the DMG properly. Though, ARM Mac here

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<div class="post-metadata">

**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\
**Post date:** [June 24, 2025, 5:23pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/9 "2025-06-24T17:23:21Z")

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Yes - the Apple Silicon builds have been off a desktop in my lab, but there’s an Xcode issue at the moment and I’d like to move them to GitHub.

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<div class="post-metadata">

**Author:** ![mandaro](https://discuss.avogadro.cc/letter_avatar_proxy/v4/letter/m/e99b99/32.png) [@mandaro](https://discuss.avogadro.cc/u/mandaro)\
**Post date:** [June 24, 2025, 6:01pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/10 "2025-06-24T18:01:30Z")

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I see. However, the file from your link is macOS.dmg.zip that upon extracting yields „AvogadroCPackOptions.cmake” file; this is not an executable

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<div class="post-metadata">

**Author:** ![mandaro](https://discuss.avogadro.cc/letter_avatar_proxy/v4/letter/m/e99b99/32.png) [@mandaro](https://discuss.avogadro.cc/u/mandaro)\
**Post date:** [June 26, 2025, 3:08pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/11 "2025-06-26T15:08:50Z")

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**BUMP**

The nightly builds from:

> **[GitHub - OpenChemistry/avogadrolibs: Avogadro libraries provide 3D rendering,...](https://github.com/OpenChemistry/avogadrolibs?tab=readme-ov-file)**
>
> Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

include both Intel and ARM64 versions. However:

- Downloading the **Intel** version yields a file named AvogadroCPackOptions.cmake, not a .dmg.
- The **ARM64** version correctly downloads a .dmg, but it does **not** include surface options.

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<div class="post-metadata">

**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\
**Post date:** [June 26, 2025, 3:15pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/12 "2025-06-26T15:15:26Z")

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You don’t need to bump the thread. I’m a Mac user. I’m well aware of the problem:

- The Intel builds are intermittent because creating a disk image on a build server randomly fails with macOS 13. Apple fixed it in macOS 14, but GitHub only has ARM servers for that.
- The ARM build is likely quite old because I only got that build server back online yesterday afternoon.

I would guess that the next nightly build for ARM should be up-to-date.

The longer term solution is to get the Mac Qt6 builds working, but I don’t have time this week to deal with CMake.

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<div class="post-metadata">

**Author:** ![mandaro](https://discuss.avogadro.cc/letter_avatar_proxy/v4/letter/m/e99b99/32.png) [@mandaro](https://discuss.avogadro.cc/u/mandaro)\
**Post date:** [June 26, 2025, 3:39pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/13 "2025-06-26T15:39:14Z")

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Oh, okay. Sorry for the bump, then.

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<div class="post-metadata">

**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\
**Post date:** [June 26, 2025, 3:48pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016/14 "2025-06-26T15:48:14Z")

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No worries - I understand the frustration.
