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| -rw-r--r-- | var/spack/packages/espresso/package.py | 61 |
1 files changed, 61 insertions, 0 deletions
diff --git a/var/spack/packages/espresso/package.py b/var/spack/packages/espresso/package.py new file mode 100644 index 0000000000..f9df74c0c0 --- /dev/null +++ b/var/spack/packages/espresso/package.py @@ -0,0 +1,61 @@ +# FIXME: +# This is a template package file for Spack. We've conveniently +# put "FIXME" labels next to all the things you'll want to change. +# +# Once you've edited all the FIXME's, delete this whole message, +# save this file, and test out your package like this: +# +# spack install espresso +# +# You can always get back here to change things with: +# +# spack edit espresso +# +# See the spack documentation for more information on building +# packages. +# +from spack import * + +class Espresso(Package): + """FIXME: put a proper description of your package here.""" + # FIXME: add a proper url for your package's homepage here. + homepage = "http://quantum-espresso.org" + url = "http://www.qe-forge.org/gf/download/frsrelease/199/855/espresso-5.2.1.tar.gz" + + version('5.2.1', 'da3ec5302e4343804e65de60f6004c2d') + variant('mpi', default=True, description='Build Quantum-ESPRESSO with mpi support') + variant('openmp', default=False, description='Build Quantum-ESPRESSO with mpi openmp') + variant('scalapack', default=False, description='Build Quantum-ESPRESSO with mpi openmp') + + + # FIXME: Add dependencies if this package requires them. + # depends_on("foo") + depends_on('mpi', when='+mpi') + + +# def install(self, spec, prefix): + # FIXME: Modify the configure line to suit your build system here. +# configure('--prefix=%s' % prefix) + + # FIXME: Add logic to build and install here +# make() +# make("install") + + def install(self, spec, prefix): + # TAU isn't happy with directories that have '@' in the path. Sigh. + + # TAU configure, despite the name , seems to be a manually written script (nothing related to autotools). + # As such it has a few #peculiarities# that make this build quite hackish. + options = ["-prefix=%s" % prefix, + "--enable-parallel"] + + if '+openmp' in spec: + options.append('--enable-openmp') + + if '+scalapack' in spec: + options.append('--with-scalapack=yes') + + configure(*options) + make("all") + make("install") + |