Re: [AMBER] Conflictions of ambertools25 installation

From: Skanda Sastry via AMBER <amber.ambermd.org>
Date: Wed, 11 Mar 2026 06:52:19 -0700

Your version of Python might be pinned to something far too recent. Try Python 3.10, or in general avoid directly pinning onto 3.13.

Also it may be better to manage your own Python using conda/Miniforge with a consistent set of libraries (not many are needed for Amber install, just a few packages iirc) and disable Miniconda in the run_cmake config options.

Regards,
Skanda

> On Mar 10, 2026, at 11:43 PM, 류종혁 via AMBER <amber.ambermd.org> wrote:
>
> Hello,
>
> I was trying to install ambertools25 in Rocky Linux 9.4 environment,
> but I faced some error in the run_cmake process, with a last error message fragment of cmake.log below.
>
> ________________________________
> Channels:
> - conda-forge
> Platform: linux-64
> Collecting package metadata (repodata.json): ...working... done
> Solving environment: ...working... failed
>
> LibMambaUnsatisfiableError: Encountered problems while solving:
> - package numpy-1.26.4-py310hb13e2d6_0 requires python >=3.10,<3.11.0a0, but none of the providers can be installed
>
> Could not solve for environment specs
> The following packages are incompatible
> ├─ numpy =1.26.4 * is installable with the potential options
> │ ├─ numpy 1.26.4 would require
> │ │ └─ python >=3.10,<3.11.0a0 *, which can be installed;
> │ ├─ numpy 1.26.4 would require
> │ │ └─ python >=3.11,<3.12.0a0 *, which can be installed;
> │ ├─ numpy 1.26.4 would require
> │ │ └─ python >=3.12,<3.13.0a0 *, which can be installed;
> │ └─ numpy 1.26.4 would require
> │ └─ python >=3.9,<3.10.0a0 *, which can be installed;
> └─ pin on python =3.13 * is not installable because it requires
> └─ python =3.13 *, which conflicts with any installable versions previously reported.
>
> Pins seem to be involved in the conflict. Currently pinned specs:
> - python=3.13
>
>
> CMake Error at cmake/UseMiniconda.cmake:177 (message):
> Installation of packages failed! Please fix what's wrong, or disable
> Miniconda.
> Call Stack (most recent call first):
> cmake/PythonInterpreterConfig.cmake:72 (download_and_use_miniconda)
> CMakeLists.txt:129 (include)
>
>
> -- Configuring incomplete, errors occurred!
> ________________________________
>
>
> I have suspected this issue was likely due to a recent miniforge upgrade and python 3.13,
> so I tried some workarounds, while keeping the -DDOWNLOAD_MINICONDA=TRUE flag, it was not that successful.
> I'm sending this message to see if I can ask for solution of this issue, or if I should wait for ambertools26.
>
>
> Best Regards,
> Jonghyuk Ryu
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber

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Received on Wed Mar 11 2026 - 07:00:03 PDT
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