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authorTodd Gamblin <tgamblin@llnl.gov>2016-06-17 14:51:45 -0700
committerGitHub <noreply@github.com>2016-06-17 14:51:45 -0700
commit62b2f2a7c9d54fb864e6aae91f1f47a1b35d1828 (patch)
tree7a2991d596dce509d764604da2078bbc9f2ac8b7 /var
parent4569df025e4d77d4fa6a66936c5c2da89fb4cabe (diff)
parenta1cbb73f8b18f30b30e4ba68e54dfc859d6cd0fa (diff)
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Merge pull request #1065 from epfl-scitas/packages/espresso_update
espresso : update to 5.4.0
Diffstat (limited to 'var')
-rw-r--r--var/spack/repos/builtin/packages/espresso/package.py24
1 files changed, 18 insertions, 6 deletions
diff --git a/var/spack/repos/builtin/packages/espresso/package.py b/var/spack/repos/builtin/packages/espresso/package.py
index 63a5560137..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'
@@ -93,4 +106,3 @@ class Espresso(Package):
install(filename, prefix.bin)
else:
make('install')
-