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Quantum ESPRESSO update - Nov 2018#9853

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alalazo merged 27 commits intospack:developfrom
naromero77:QuantumESPRESSOupdate
Dec 6, 2018
Merged

Quantum ESPRESSO update - Nov 2018#9853
alalazo merged 27 commits intospack:developfrom
naromero77:QuantumESPRESSOupdate

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@naromero77
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Several enhancements to the Quantum ESPRESSO Spack package:

  • Proper detection and use of BLAS and LAPACK provided by Spack.
  • Proper detection and use of FFTs via new FFTW-API provider.
  • Use releases from gitlab.com instead of github.com, since latter is a mirror.
  • Include both develop and 6.3-backports branches as versions
  • Include a number of patches specific to QE 6.3, documented in source
  • Proper conflicts for HDF5
  • Spack package default for variants matches autoconf/automake defaults.
  • Other minor fixes

naromero77 added 21 commits September 27, 2018 16:26
…eferred, still falls back to finding first MKL installation in /opt/intel.
@naromero77
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So 'spack flake8 packages.py' says 'Flake8 checks were clean', but the TravisCI check does not like the escape sequence here below and results in W605 invalid escape sequence

'HDF5_LIB([\s]*)=([\s\w\-\/.,]*)',

Does anyone know how to fix this? I am unsure of what that segment of code actually does.

@scheibelp
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'HDF5_LIB([\s]*)=([\s\w\-\/.,]*)',
Does anyone know how to fix this? I am unsure of what that segment of code actually does.

I think prepending the string with r like r'HDF5_LIB([\s]*)=([\s\w\-\/.,]*)', will fix the error (i.e. use a raw string).

I'm not sure if this is something flake recently started complaining about, but I think it would be good to change:

Normally \ in a string indicates an escape sequence. In raw strings \ just means the \ character. Typically regexes that aren't using raw strings have to escape all the \ characters to make use of the regex character classes (which is to say that I'm suspicious that this regex isn't doing what was intended and that converting to a raw string will fix it).

See also: https://stackoverflow.com/questions/2081640/what-exactly-do-u-and-r-string-flags-do-and-what-are-raw-string-literals

@scheibelp scheibelp mentioned this pull request Nov 15, 2018
@alalazo alalazo merged commit 298da8e into spack:develop Dec 6, 2018
@alalazo
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alalazo commented Dec 6, 2018

@naromero77 Thanks!

@nvarini FYI

@naromero77 naromero77 deleted the QuantumESPRESSOupdate branch December 6, 2018 15:21
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4 participants