qa : flake8 issues
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@ -22,21 +22,21 @@
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# License along with this program; if not, write to the Free Software
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# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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##############################################################################
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import subprocess
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from spack import *
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class Gromacs(Package):
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"""
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GROMACS (GROningen MAchine for Chemical Simulations) is a molecular dynamics package primarily designed for
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simulations of proteins, lipids and nucleic acids. It was originally developed in the Biophysical Chemistry
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department of University of Groningen, and is now maintained by contributors in universities and research centers
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across the world.
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"""GROMACS (GROningen MAchine for Chemical Simulations) is a molecular
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dynamics package primarily designed for simulations of proteins, lipids
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and nucleic acids. It was originally developed in the Biophysical
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Chemistry department of University of Groningen, and is now maintained
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by contributors in universities and research centers across the world.
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GROMACS is one of the fastest and most popular software packages available and can run on CPUs as well as GPUs.
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It is free, open source released under the GNU General Public License. Starting from version 4.6, GROMACS is
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released under the GNU Lesser General Public License.
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GROMACS is one of the fastest and most popular software packages
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available and can run on CPUs as well as GPUs. It is free, open source
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released under the GNU General Public License. Starting from version 4.6,
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GROMACS is released under the GNU Lesser General Public License.
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"""
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homepage = 'http://www.gromacs.org'
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@ -45,9 +45,10 @@ class Gromacs(Package):
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version('5.1.2', '614d0be372f1a6f1f36382b7a6fcab98')
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variant('mpi', default=True, description='Activate MPI support')
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variant('shared', default=True, description='Enables the build of shared libraries')
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variant('shared', default=True,
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description='Enables the build of shared libraries')
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variant('debug', default=False, description='Enables debug mode')
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variant('double', default=False, description='Produces a double precision version of the executables')
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variant('double', default=False, description='Produces a double precision version of the executables') # NOQA: ignore=E501
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variant('plumed', default=False, description='Enable PLUMED support')
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depends_on('mpi', when='+mpi')
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