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added package : pexsi (#1550)

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* pexsi : added package
* cp2k : added pexsi (works for gcc+openmpi with and without plumed)
This commit is contained in:
Massimiliano Culpo
2016-09-03 17:13:47 +02:00
committed by Todd Gamblin
parent fa310c825d
commit 497bbb3ae3
9 changed files with 229 additions and 9 deletions
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14
var/spack/repos/builtin/packages/superlu-dist/package.py
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@@ -30,13 +30,14 @@ class SuperluDist(Package):
"""A general purpose library for the direct solution of large, sparse,
nonsymmetric systems of linear equations on high performance machines."""
homepage = "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/"
url = "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/superlu_dist_4.1.tar.gz"
url = "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/superlu_dist_4.1.tar.gz"
version('5.0.0', '2b53baf1b0ddbd9fcf724992577f0670')
version('4.3', 'ee66c84e37b4f7cc557771ccc3dc43ae')
version('4.2', 'ae9fafae161f775fbac6eba11e530a65')
version('4.1', '4edee38cc29f687bd0c8eb361096a455')
version('4.0', 'c0b98b611df227ae050bc1635c6940e0')
version('3.3', 'f4805659157d93a962500902c219046b')
depends_on('mpi')
depends_on('blas')
@@ -61,14 +62,13 @@ def install(self, spec, prefix):
'ARCH = ar',
'ARCHFLAGS = cr',
'RANLIB = true',
'CC = %s' % spec['mpi'].mpicc,
'CFLAGS = -fPIC -std=c99 -O2 -I%s -I%s' %
(spec['parmetis'].prefix.include,
spec['metis'].prefix.include),
'CC = {0}'.format(self.spec['mpi'].mpicc),
'CFLAGS = -fPIC -std=c99 -O2 -I%s -I%s' % (
spec['parmetis'].prefix.include, spec['metis'].prefix.include),
'NOOPTS = -fPIC -std=c99',
'FORTRAN = %s' % spec['mpi'].mpif77,
'FORTRAN = {0}'.format(self.spec['mpi'].mpif77),
'F90FLAGS = -O2',
'LOADER = %s' % spec['mpi'].mpif77,
'LOADER = {0}'.format(self.spec['mpi'].mpif77),
'LOADOPTS =',
'CDEFS = -DAdd_'
])