Hello Prof. Jiang,
I don't know if this will fix your specific issue but I wanted to send over
a conda YML file that I use to set my Amber conda environment. In addition
to this I also have attached the set of modules I load using lmod when
compiling Amber. If you load these Lmod modules and load this conda
environment you should be able to routinely compile Amber successfully.
This has been my solution to the myriad dependency issues that Amber can
produce during compilation.
Regards,
Skanda
On Thu, Sep 25, 2025 at 12:47 PM Jiang, Wei via AMBER <amber.ambermd.org>
wrote:
> Hi, I am trying to re-install Amber24 on an Nvidia A100 cluster. Last
> December run_cmake worked fine and I got Amber24 installed successfully.
> But now with the identical code I see the following error when running
> run_cmake. It looks like miniconda is installing something incompatible
> with the existing software environment. This did not happen before. Can
> anybody advise how to avoid it?
>
> LibMambaUnsatisfiableError: Encountered problems while solving:
> - package cython-0.29-py27he6710b0_0 requires python >=2.7,<2.8.0a0, but
> none of the providers can be installed
> Could not solve for environment specs
> The following packages are incompatible
> ├─ cython =0.29 * is installable with the potential options
> │ ├─ cython [0.29|0.29.10|...|0.29.8] would require
> │ │ └─ python >=2.7,<2.8.0a0 *, which can be installed;
> │ ├─ cython [0.29|0.29.10|...|0.29.8] would require
> │ │ └─ python >=3.6,<3.7.0a0 *, which can be installed;
> │ ├─ cython [0.29|0.29.10|...|0.29.8] would require
> │ │ └─ python >=3.7,<3.8.0a0 *, which can be installed;
> │ ├─ cython [0.29.13|0.29.14|...|0.29.37] would require
> │ │ └─ python >=3.8,<3.9.0a0 *, which can be installed;
> │ ├─ cython [0.29.21|0.29.22|...|0.29.37] would require
> │ │ └─ python >=3.9,<3.10.0a0 *, which can be installed;
> │ ├─ cython [0.29.25|0.29.28|...|0.29.37] would require
> │ │ └─ python >=3.10,<3.11.0a0 *, which can be installed;
> │ ├─ cython [0.29.32|0.29.33|0.29.35|0.29.36|0.29.37] would require
> │ │ └─ python >=3.11,<3.12.0a0 *, which can be installed;
> │ └─ cython [0.29.36|0.29.37] would require
> │ └─ python >=3.12,<3.13.0a0 *, 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
>
> Thanks & Regards
>
> Wei Jiang, PhD, Computational Science Division
> Argonne National Laboratory
> 9700S, Cass Ave, Lemont, IL60439
> 630-252-8688<callto:630-252-8688> (office)
> 630-252-7121<callto:630-252-7121> (fax)
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Sep 25 2025 - 17:00:02 PDT
