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qa : flake8 issues

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This commit is contained in:
alalazo 2016-08-09 09:54:24 +02:00
parent 5362864cc9
commit 38dcd6bce9
1 changed files with 12 additions and 11 deletions
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23
var/spack/repos/builtin/packages/gromacs/package.py
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@ -22,21 +22,21 @@
# License along with this program; if not, write to the Free Software # License along with this program; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
############################################################################## ##############################################################################
import subprocess
from spack import * from spack import *
class Gromacs(Package): class Gromacs(Package):
""" """GROMACS (GROningen MAchine for Chemical Simulations) is a molecular
GROMACS (GROningen MAchine for Chemical Simulations) is a molecular dynamics package primarily designed for dynamics package primarily designed for simulations of proteins, lipids
simulations of proteins, lipids and nucleic acids. It was originally developed in the Biophysical Chemistry and nucleic acids. It was originally developed in the Biophysical
department of University of Groningen, and is now maintained by contributors in universities and research centers Chemistry department of University of Groningen, and is now maintained
across the world. by contributors in universities and research centers across the world.
GROMACS is one of the fastest and most popular software packages available and can run on CPUs as well as GPUs. GROMACS is one of the fastest and most popular software packages
It is free, open source released under the GNU General Public License. Starting from version 4.6, GROMACS is available and can run on CPUs as well as GPUs. It is free, open source
released under the GNU Lesser General Public License. released under the GNU General Public License. Starting from version 4.6,
GROMACS is released under the GNU Lesser General Public License.
""" """
homepage = 'http://www.gromacs.org' homepage = 'http://www.gromacs.org'
@ -45,9 +45,10 @@ class Gromacs(Package):
version('5.1.2', '614d0be372f1a6f1f36382b7a6fcab98') version('5.1.2', '614d0be372f1a6f1f36382b7a6fcab98')
variant('mpi', default=True, description='Activate MPI support') variant('mpi', default=True, description='Activate MPI support')
variant('shared', default=True, description='Enables the build of shared libraries') variant('shared', default=True,
description='Enables the build of shared libraries')
variant('debug', default=False, description='Enables debug mode') variant('debug', default=False, description='Enables debug mode')
variant('double', default=False, description='Produces a double precision version of the executables') variant('double', default=False, description='Produces a double precision version of the executables') # NOQA: ignore=E501
variant('plumed', default=False, description='Enable PLUMED support') variant('plumed', default=False, description='Enable PLUMED support')
depends_on('mpi', when='+mpi') depends_on('mpi', when='+mpi')