diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/espresso/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/espresso/package.py | 26 |
1 files changed, 19 insertions, 7 deletions
diff --git a/var/spack/repos/builtin/packages/espresso/package.py b/var/spack/repos/builtin/packages/espresso/package.py index ef6a3ccc7b..447964f286 100644 --- a/var/spack/repos/builtin/packages/espresso/package.py +++ b/var/spack/repos/builtin/packages/espresso/package.py @@ -26,20 +26,28 @@ from spack import * import os + class Espresso(Package): """ - QE is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials - modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. + QE is an integrated suite of Open-Source computer codes for + electronic-structure calculations and materials modeling at + the nanoscale. It is based on density-functional theory, plane + waves, and pseudopotentials. """ homepage = 'http://quantum-espresso.org' url = 'http://www.qe-forge.org/gf/download/frsrelease/204/912/espresso-5.3.0.tar.gz' + version( + '5.4.0', + '8bb78181b39bd084ae5cb7a512c1cfe7', + url='http://www.qe-forge.org/gf/download/frsrelease/211/968/espresso-5.4.0.tar.gz' + ) version('5.3.0', '6848fcfaeb118587d6be36bd10b7f2c3') - variant('mpi', default=True, description='Build Quantum-ESPRESSO with mpi support') + variant('mpi', default=True, description='Builds with mpi support') variant('openmp', default=False, description='Enables openMP support') variant('scalapack', default=True, description='Enables scalapack support') - variant('elpa', default=True, description='Use elpa as an eigenvalue solver') + variant('elpa', default=True, description='Uses elpa as an eigenvalue solver') depends_on('blas') depends_on('lapack') @@ -47,7 +55,12 @@ class Espresso(Package): depends_on('mpi', when='+mpi') depends_on('fftw~mpi', when='~mpi') depends_on('fftw+mpi', when='+mpi') - depends_on('scalapack', when='+scalapack+mpi') # TODO : + mpi needed to avoid false dependencies installation + # TODO : + mpi needed to avoid false dependencies installation + depends_on('scalapack', when='+scalapack+mpi') + + # Spurious problems running in parallel the Makefile + # generated by qe configure + parallel = False def check_variants(self, spec): error = 'you cannot ask for \'+{variant}\' when \'+mpi\' is not active' @@ -87,10 +100,9 @@ class Espresso(Package): configure(*options) make('all') - if spec.architecture.startswith('darwin'): + if spec.satisfies('platform=darwin'): mkdirp(prefix.bin) for filename in glob("bin/*.x"): install(filename, prefix.bin) else: make('install') - |