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lammps: add user-omp package (#5486)

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* Simplify cmake arg generation
* Set -DFFT when kspace variant is enabled
This commit is contained in:
Christoph Junghans 2017-09-27 13:46:58 -06:00 committed by scheibelp
parent c242165ebd
commit 83ab062583
1 changed files with 17 additions and 23 deletions
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40
var/spack/repos/builtin/packages/lammps/package.py
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@ -45,8 +45,8 @@ def url_for_version(self, version):
return "https://github.com/lammps/lammps/archive/patch_{0}.tar.gz".format( return "https://github.com/lammps/lammps/archive/patch_{0}.tar.gz".format(
vdate.strftime("%d%b%Y").lstrip('0')) vdate.strftime("%d%b%Y").lstrip('0'))
supported_packages = ['voronoi', 'rigid', 'user-nc-dump', 'kspace', supported_packages = ['voronoi', 'rigid', 'user-netcdf', 'kspace',
'latte', 'user-atc', 'meam', 'manybody'] 'latte', 'user-atc', 'user-omp', 'meam', 'manybody']
for pkg in supported_packages: for pkg in supported_packages:
variant(pkg, default=False, variant(pkg, default=False,
@ -57,9 +57,9 @@ def url_for_version(self, version):
description='Build with mpi') description='Build with mpi')
depends_on('mpi', when='+mpi') depends_on('mpi', when='+mpi')
depends_on('fftw', when='+ksapce') depends_on('fftw', when='+kspace')
depends_on('voropp', when='+voronoi') depends_on('voropp', when='+voronoi')
depends_on('netcdf+mpi', when='+user-nc-dump') depends_on('netcdf+mpi', when='+user-netcdf')
depends_on('blas', when='+user-atc') depends_on('blas', when='+user-atc')
depends_on('lapack', when='+user-atc') depends_on('lapack', when='+user-atc')
depends_on('latte', when='+latte') depends_on('latte', when='+latte')
@ -76,26 +76,20 @@ def url_for_version(self, version):
def cmake_args(self): def cmake_args(self):
spec = self.spec spec = self.spec
return [ args = [
'-DBUILD_SHARED_LIBS={0}'.format( '-DBUILD_SHARED_LIBS={0}'.format(
'ON' if '+lib' in spec else 'OFF'), 'ON' if '+lib' in spec else 'OFF'),
'-DENABLE_MPI={0}'.format( '-DENABLE_MPI={0}'.format(
'ON' if '+mpi' in spec else 'OFF'), 'ON' if '+mpi' in spec else 'OFF')
'-DENABLE_RIGID={0}'.format(
'ON' if '+rigid' in spec else 'OFF'),
'-DENABLE_MEAM={0}'.format(
'ON' if '+meam' in spec else 'OFF'),
'-DENABLE_KSAPCE={0}'.format(
'ON' if '+kspace' in spec else 'OFF'),
'-DFFT=FFTW3', # doesn't do harm withiout KSPACE
'-DENABLE_LATTE={0}'.format(
'ON' if '+latte' in spec else 'OFF'),
'-DENABLE_MANYBODY={0}'.format(
'ON' if '+manybody' in spec else 'OFF'),
'-DENABLE_USER-NETCDF={0}'.format(
'ON' if '+user-nc-dump' in spec else 'OFF'),
'-DENABLE_VORONOI={0}'.format(
'ON' if '+voronoi' in spec else 'OFF'),
'-DENABLE_USER-ATC={0}'.format(
'ON' if '+user-atc' in spec else 'OFF'),
] ]
for pkg in self.supported_packages:
opt = '-DENABLE_{0}'.format(pkg.upper())
if '+{0}'.format(pkg) in spec:
args.append('{0}=ON'.format(opt))
else:
args.append('{0}=OFF'.format(opt))
if '+kspace' in spec:
args.append('-DFFT=FFTW3')
return args