Skip to content
Snippets Groups Projects
Commit a1cbb73f authored by Massimiliano Culpo's avatar Massimiliano Culpo
Browse files

qa : fixed flake8 issues

parent 8d9ffcf5
Branches
Tags
No related merge requests found
......@@ -26,10 +26,13 @@
import os
class Espresso(Package):
"""
QE is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials
modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
QE is an integrated suite of Open-Source computer codes for
electronic-structure calculations and materials modeling at
the nanoscale. It is based on density-functional theory, plane
waves, and pseudopotentials.
"""
homepage = 'http://quantum-espresso.org'
url = 'http://www.qe-forge.org/gf/download/frsrelease/204/912/espresso-5.3.0.tar.gz'
......@@ -41,10 +44,10 @@ class Espresso(Package):
)
version('5.3.0', '6848fcfaeb118587d6be36bd10b7f2c3')
variant('mpi', default=True, description='Build Quantum-ESPRESSO with mpi support')
variant('mpi', default=True, description='Builds with mpi support')
variant('openmp', default=False, description='Enables openMP support')
variant('scalapack', default=True, description='Enables scalapack support')
variant('elpa', default=True, description='Use elpa as an eigenvalue solver')
variant('elpa', default=True, description='Uses elpa as an eigenvalue solver')
depends_on('blas')
depends_on('lapack')
......@@ -52,7 +55,8 @@ class Espresso(Package):
depends_on('mpi', when='+mpi')
depends_on('fftw~mpi', when='~mpi')
depends_on('fftw+mpi', when='+mpi')
depends_on('scalapack', when='+scalapack+mpi') # TODO : + mpi needed to avoid false dependencies installation
# TODO : + mpi needed to avoid false dependencies installation
depends_on('scalapack', when='+scalapack+mpi')
# Spurious problems running in parallel the Makefile
# generated by qe configure
......@@ -102,4 +106,3 @@ def install(self, spec, prefix):
install(filename, prefix.bin)
else:
make('install')
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment