Re: [AMBER-Developers] AmberTools23 release candidate 3 is now available

From: Daniel Roe via AMBER-Developers <amber-developers.ambermd.org>
Date: Tue, 4 Apr 2023 10:13:25 -0400

Hi All,

Has anyone been able to get RC3 to build? I'm getting a failure on the
'PerlMol' phase:
```
[ 16%] Performing configure step for 'PerlMol'
Checking if your kit is complete...
Warning: the following files are missing in your kit:
<long list of files>
Please inform the author.
Checking if your kit is complete...
Warning: the following files are missing in your kit:
lib/Chemistry/File/VRML.pm
t/pod.t
t/vrml.t
Please inform the author.
Warning: prerequisite Chemistry::Mol 0.33 not found.
ERROR from evaluation of
/v/gscratch/cbs/droe/amber/RC/build.2023.rc3/AmberTools/src/PerlMol-0.3500/build/Chemistry-File-VRML-0.10/Makefile.PL:
Could not open 'lib/Chemistry/File/VRML.pm': No such file or directory at
/usr/share/perl5/vendor_perl/ExtUtils/MM_Unix.pm line 2637.
make[2]: ***
[AmberTools/src/PerlMol-0.3500/src/PerlMol-stamp/PerlMol-configure] Error 2
```
This is just AmberTools (fresh untar from the candidate) on CentOS 7.9,
cmake 3.18.0, gcc 6.4.0, cuda 11.6.2, mvapich 2.3.7, cmake command:

cmake $AMBER_PREFIX/amber22_src \
    -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber22.2023.rc3 \
    -DCOMPILER=GNU \
    -DMPI=TRUE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
    -DDOWNLOAD_MINICONDA=TRUE

I am building from outside the source directory (which has always worked in
the past).

-Dan

On Sun, Apr 2, 2023 at 3:20 PM David A Case via AMBER-Developers <
amber-developers.ambermd.org> wrote:

>
> I hope we are getting close! Details are here:
>
> https://ambermd.org/pmwiki/pmwiki.php/Main/Amber23Test
>
> Thanks to all who have helping out here. Please check the Reference Manual
> for content, citation accuracy, author list accuracy. Even if you haven't
> made code changes, now is a great time to re-read parts of the Manual that
> you know about, and push improvements.
>
> ...thx...dac
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
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Received on Tue Apr 04 2023 - 07:30:02 PDT
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