Re: [AMBER-Developers] Getting there: release candidate 4 for AmberTools19

From: Gerald Monard <Gerald.Monard.univ-lorraine.fr>
Date: Wed, 24 Apr 2019 17:40:16 +0200

Hi all,

When testing RC4, I'm having troubles with some FEW tests because I
don't have the PerlMol library.

As instructed in AmberTools/src/FEW/examples/test/few.log, I've tried to
compile and install the library but with no success. It seems that it is
now too old for Perl (see some errors below). I've tried also things
like `amber.conda install perl` then $AMBERHOME/miniconda/bin/cpan
install PerlMol, but I end up with the same errors.

Has anyone a way to install PerlMol without administrative privilege on
a Linux machine? (my test system is CentOS)

Thanks,

Gerald.

P.S. some of my errors:

Running make test
PERL_DL_NONLAZY=1
"/mnt/beegfs/ese86/fzh45/amber/amber19-beta/build/cuda/gnu/amber-rc3/miniconda/bin/perl"
"-MExtUtils::Command::MM" "-MTest::Harness" "-e" "undef
*Test::Harness::Switches; test_harness(0, 'blib/lib', 'blib/arch')" t/*.t
t/add_implicit_h.t .. ok
t/Atom.t ............ ok
t/Bond.t ............ Unescaped left brace in regex is illegal here in
regex; marked by <-- HERE in m/(?<!\\)%j{ <-- HERE (.*?)}/ at
/projects/ese86/fzh45/.cpan/build/Chemistry-Mol-0.37-0/blib/lib/Chemistry/File/Formula.pm
line 203.
Compilation failed in require at t/Bond.t line 5.
BEGIN failed--compilation aborted at t/Bond.t line 5.
t/Bond.t ............ Dubious, test returned 255 (wstat 65280, 0xff00)
No subtests run
t/change_id.t ....... ok
t/compat.t .......... ok
t/delete.t .......... ok
t/descriptor.t ...... ok
t/Dumper.t .......... ok
t/exception.t ....... skipped: You don't have Test::Exception installed
t/File.t ............ ok
t/Formula.t ......... 1/18
#   Failed test 'use Chemistry::File::Formula;'
#   at t/Formula.t line 10.
#     Tried to use 'Chemistry::File::Formula'.
#     Error:  Unescaped left brace in regex is illegal here in regex;
marked by <-- HERE in m/(?<!\\)%j{ <-- HERE (.*?)}/ at
/projects/ese86/fzh45/.cpan/build/Chemistry-Mol-0.37-0/blib/lib/Chemistry/File/Formula.pm
line 203.
# Compilation failed in require at t/Formula.t line 10.
# BEGIN failed--compilation aborted at t/Formula.t line 10.
No class installed for type 'formula' at t/Formula.t line 13.
# Looks like your test exited with 255 just after 1.
t/Formula.t ......... Dubious, test returned 255 (wstat 65280, 0xff00)
Failed 18/18 subtests
t/geom.t ............ ok
t/graph.t ........... 1/11 Unescaped left brace in regex is illegal here
in regex; marked by <-- HERE in m/(?<!\\)%j{ <-- HERE (.*?)}/ at
/projects/ese86/fzh45/.cpan/build/Chemistry-Mol-0.37-0/blib/lib/Chemistry/File/Formula.pm
line 203.
Compilation failed in require at
/projects/ese86/fzh45/.cpan/build/Chemistry-Mol-0.37-0/blib/lib/Chemistry/Mol.pm
line 724.
# Looks like your test exited with 255 just after 3.
t/graph.t ........... Dubious, test returned 255 (wstat 65280, 0xff00)
Failed 8/11 subtests
t/mem.t ............. ok
t/Mol.t ............. ok
t/Obj.t ............. ok
t/pod.t ............. skipped: You don't have Test::Pod installed
t/safe_clone.t ...... ok
t/zlib.t ............ ok

Test Summary Report
-------------------
t/Bond.t          (Wstat: 65280 Tests: 0 Failed: 0)
   Non-zero exit status: 255
   Parse errors: No plan found in TAP output
t/Formula.t       (Wstat: 65280 Tests: 1 Failed: 1)
   Failed test:  1
   Non-zero exit status: 255
   Parse errors: Bad plan.  You planned 18 tests but ran 1.
t/graph.t         (Wstat: 65280 Tests: 3 Failed: 0)
   Non-zero exit status: 255
   Parse errors: Bad plan.  You planned 11 tests but ran 3.
Files=19, Tests=182,  4 wallclock secs ( 0.10 usr  0.05 sys + 1.52 cusr 
0.61 csys =  2.28 CPU)
Result: FAIL
Failed 3/19 test programs. 1/182 subtests failed.
make: *** [test_dynamic] Error 255
   ITUB/Chemistry-Mol-0.37.tar.gz
   /usr/bin/make test -- NOT OK
//hint// to see the cpan-testers results for installing this module, try:
   reports ITUB/Chemistry-Mol-0.37.tar.gz

On 4/23/19 16:56, David Case wrote:
> Thanks to Taisung and Pengfei for joining the testing crew.
>
> Latest instructions are here:
>
> http://ambermd.org/pmwiki/pmwiki.php/Main/Amber19Test
>
> password for editing is 'pakrules'.
>
> Aside: be a little patient with the website: we are changing the host
> machine at 11am Eastern today. So it's probably best to hold off
> posting results until this evening, to make sure that you are actually
> seeing the "new" site.
>
> ...thanks...dac
>
>
> _______________________________________________
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-- 
____________________________________________________________________________
  Prof. Gerald MONARD
  Directeur du mésocentre EXPLOR
  Université de Lorraine
  Boulevard des Aiguillettes B.P. 70239
  F-54506 Vandoeuvre-les-Nancy, FRANCE
  e-mail : Gerald.Monard.univ-lorraine.fr
  phone  : +33 (0)372.745.279
  mobile : +33 (0)678.006.443
  web    : http://www.monard.info
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Received on Wed Apr 24 2019 - 09:00:03 PDT
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