On Fri, Mar 17, 2023 at 5:57 PM Joanna Michelle E. Chua <
jmechua.pnri.dost.gov.ph> wrote:
> Hi Hai,
>
> I already tried that option before since I already have the Anaconda
> environment, but I experienced compatibility issues between the version of
> CUDA tools (MPICH or open MP were okay) and the version of Anaconda that I
> installed, especially when I updated my CUDA to be compatible with Amber
> 2020. I just tried installing pdb4amber in both Python 3.8 (the one with
> Anaconda package) and Python 3.9 (external to the Anaconda package) but
> it's still not working. Also, wouldn't there be a conflict since Amber
> itself has an internal miniconda package?
>
Hi Joanna
My previous link shows you how to “fix” the issue. (It’s more about setting
an environment variable rather than downgrading from python3.9 to 3.8).
Hai
> Best,
>
> Joanna
> ------------------------------
> *From:* Hai Nguyen <nhai.qn.gmail.com>
> *Sent:* Saturday, March 18, 2023 5:35 AM
> *To:* AMBER Mailing List <amber.ambermd.org>; Joanna Michelle E. Chua <
> jmechua.pnri.dost.gov.ph>
> *Subject:* Re: [AMBER] Problem loading pdb4amber in Amber 20
>
>
>
> On Fri, Mar 17, 2023 at 12:20 PM Joanna Michelle E. Chua via AMBER <
> amber.ambermd.org> wrote:
>
> Hi all,
>
> Can anyone help me regarding this one? I had no problem loading
> antechamber, tleap, xleap,
>
> itsrdc.itsrdc:~/amber20$ pdb4amber -h
> Traceback (most recent call last):
> File "/home/itsrdc/amber20/bin/pdb4amber", line 33, in <module>
> sys.exit(load_entry_point('pdb4amber==20.1', 'console_scripts',
> 'pdb4amber')())
> File "/home/itsrdc/amber20/bin/pdb4amber", line 22, in
> importlib_load_entry_point
> for entry_point in distribution(dist_name).entry_points
> File
> "/home/itsrdc/amber20/miniconda/lib/python3.9/importlib/metadata.py", line
> 524, in distribution
> return Distribution.from_name(distribution_name)
> File
> "/home/itsrdc/amber20/miniconda/lib/python3.9/importlib/metadata.py", line
> 187, in from_name
> raise PackageNotFoundError(name)
> importlib.metadata.PackageNotFoundError: pdb4amber
>
>
> Hi
>
> I don’t know why this happens again but you can try similar approach to
> resolve:
> http://archive.ambermd.org/202010/0110.html
>
> Or try to install ambertools from conda distribution.
>
> Hai
>
>
>
> Thank you for helping me out.
>
> Joanna Michelle Chua-Aniago, RPh
> Science Research Specialist II
> Isotope Techniques Section
> Nuclear Services Division
> Philippine Nuclear Research Institute
> Tel. no. (+632) 8929 6011 to 14 loc. 240
> Mobile No. (+63) 917 845 4137
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Received on Fri Mar 17 2023 - 15:30:03 PDT
