qa : fixed flake8 issues
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@ -26,10 +26,13 @@
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import os
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import os
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class Espresso(Package):
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class Espresso(Package):
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"""
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"""
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QE is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials
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QE is an integrated suite of Open-Source computer codes for
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modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
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electronic-structure calculations and materials modeling at
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the nanoscale. It is based on density-functional theory, plane
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waves, and pseudopotentials.
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"""
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"""
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homepage = 'http://quantum-espresso.org'
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homepage = 'http://quantum-espresso.org'
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url = 'http://www.qe-forge.org/gf/download/frsrelease/204/912/espresso-5.3.0.tar.gz'
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url = 'http://www.qe-forge.org/gf/download/frsrelease/204/912/espresso-5.3.0.tar.gz'
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@ -41,10 +44,10 @@ class Espresso(Package):
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)
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)
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version('5.3.0', '6848fcfaeb118587d6be36bd10b7f2c3')
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version('5.3.0', '6848fcfaeb118587d6be36bd10b7f2c3')
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variant('mpi', default=True, description='Build Quantum-ESPRESSO with mpi support')
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variant('mpi', default=True, description='Builds with mpi support')
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variant('openmp', default=False, description='Enables openMP support')
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variant('openmp', default=False, description='Enables openMP support')
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variant('scalapack', default=True, description='Enables scalapack support')
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variant('scalapack', default=True, description='Enables scalapack support')
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variant('elpa', default=True, description='Use elpa as an eigenvalue solver')
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variant('elpa', default=True, description='Uses elpa as an eigenvalue solver')
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depends_on('blas')
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depends_on('blas')
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depends_on('lapack')
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depends_on('lapack')
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@ -52,7 +55,8 @@ class Espresso(Package):
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depends_on('mpi', when='+mpi')
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depends_on('mpi', when='+mpi')
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depends_on('fftw~mpi', when='~mpi')
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depends_on('fftw~mpi', when='~mpi')
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depends_on('fftw+mpi', when='+mpi')
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depends_on('fftw+mpi', when='+mpi')
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depends_on('scalapack', when='+scalapack+mpi') # TODO : + mpi needed to avoid false dependencies installation
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# TODO : + mpi needed to avoid false dependencies installation
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depends_on('scalapack', when='+scalapack+mpi')
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# Spurious problems running in parallel the Makefile
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# Spurious problems running in parallel the Makefile
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# generated by qe configure
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# generated by qe configure
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@ -102,4 +106,3 @@ def install(self, spec, prefix):
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install(filename, prefix.bin)
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install(filename, prefix.bin)
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else:
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else:
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make('install')
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make('install')
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