Hi everyone:
The second release candidate tarballs are available:
wget
https://ambermd.org/downloads/AmberTools22.25mar22.tar.bz2
wget
https://ambermd.org/downloads/Amber22.25mar22.tar.bz2
See instructions and post results here:
https://ambermd.org/pmwiki/pmwiki.php/Main/Amber22Test
(editing password is 'pakrules'). Some notes:
1. Python continues to plague us. Results are different, depending on the
system I test on. Some combination of setuptools(?), distutils,
easy-install, and conversion from Python2 to Python3 all influence
the results. Basically, don't worry (or even both to report) Python
failures at this point. Contact Jason if you (think you) have a solution
here; as best I can tell, something(?) changed in miniconda in the past
few weeks that has broken our installation workflow. (Don't bother Jason
with speculation -- we need tested suggestions from those who know what
is going on.)
2. There are a few fixes since RC1, most importantly to GB problems with
some GPU installations, plus some fixes that make the tests run with
fewer apparent failures. But those of you who spent the effort on
RC1 (thanks!) don't need to repeat so much this time around. Perhaps
pick one environment that is important for your work, and concentrate
on that.
3. I didn't get any volunteers to try RC1 on OSX, and that is still
needed. (Maybe few people use OSX anymore(?); I know I have
switched to Linux for both server and laptop environments.)
4. Kudos to Gerald for the singularity container work! If you see problems
on your Linux box, compare to Gerald's nice tables to see if you are getting
something very different than what he sees. (There is link on the wiki
page above to the singularity reports.)
...thanks in advance....dac
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Received on Fri Mar 25 2022 - 12:30:02 PDT
