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authornvarini <nicola.varini@gmail.com>2018-05-29 17:27:05 +0200
committerMassimiliano Culpo <massimiliano.culpo@gmail.com>2018-05-29 17:27:05 +0200
commitff4f92fec74982a663ce82ce36ffc486fa98a025 (patch)
tree5f42918c276afd8e89af8dddd532f18d54ecce20 /var
parent80564fae5df952eb8544272e178d283bac0c0f57 (diff)
downloadspack-ff4f92fec74982a663ce82ce36ffc486fa98a025.tar.gz
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Quantum espresso (#8183)
Changed the name from espresso to more appropriate quantum-espresso. Added github mirror.
Diffstat (limited to 'var')
-rw-r--r--var/spack/repos/builtin/packages/qmcpack/package.py4
-rw-r--r--var/spack/repos/builtin/packages/quantum-espresso/dspev_drv_elpa.patch (renamed from var/spack/repos/builtin/packages/espresso/dspev_drv_elpa.patch)0
-rw-r--r--var/spack/repos/builtin/packages/quantum-espresso/package.py (renamed from var/spack/repos/builtin/packages/espresso/package.py)25
3 files changed, 20 insertions, 9 deletions
diff --git a/var/spack/repos/builtin/packages/qmcpack/package.py b/var/spack/repos/builtin/packages/qmcpack/package.py
index 4a638f854a..0a77491736 100644
--- a/var/spack/repos/builtin/packages/qmcpack/package.py
+++ b/var/spack/repos/builtin/packages/qmcpack/package.py
@@ -107,11 +107,11 @@ class Qmcpack(CMakePackage):
# Quantum Espresso 5.3.0 (see QMCPACK manual)
patch_url = 'https://raw.githubusercontent.com/QMCPACK/qmcpack/develop/external_codes/quantum_espresso/add_pw2qmcpack_to_espresso-5.3.0.diff'
patch_checksum = '0d8d7ba805313ddd4c02ee32c96d2f12e7091e9e82e22671d3ad5a24247860c4'
- depends_on('espresso@5.3.0~elpa',
+ depends_on('quantum-espresso@5.3.0~elpa',
patches=patch(patch_url, sha256=patch_checksum, when='+qe'),
when='+qe+mpi')
- depends_on('espresso@5.3.0~elpa~scalapack~mpi',
+ depends_on('quantum-espresso@5.3.0~elpa~scalapack~mpi',
patches=patch(patch_url, sha256=patch_checksum, when='+qe'),
when='+qe~mpi')
diff --git a/var/spack/repos/builtin/packages/espresso/dspev_drv_elpa.patch b/var/spack/repos/builtin/packages/quantum-espresso/dspev_drv_elpa.patch
index 153bcf2ef5..153bcf2ef5 100644
--- a/var/spack/repos/builtin/packages/espresso/dspev_drv_elpa.patch
+++ b/var/spack/repos/builtin/packages/quantum-espresso/dspev_drv_elpa.patch
diff --git a/var/spack/repos/builtin/packages/espresso/package.py b/var/spack/repos/builtin/packages/quantum-espresso/package.py
index 63d88ff78f..96bdda65e2 100644
--- a/var/spack/repos/builtin/packages/espresso/package.py
+++ b/var/spack/repos/builtin/packages/quantum-espresso/package.py
@@ -28,7 +28,7 @@ import os.path
from spack import *
-class Espresso(Package):
+class QuantumEspresso(Package):
"""Quantum-ESPRESSO 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
@@ -36,20 +36,31 @@ class Espresso(Package):
"""
homepage = 'http://quantum-espresso.org'
- url = 'http://www.qe-forge.org/gf/download/frsrelease/204/912/espresso-5.3.0.tar.gz'
+ url = 'https://github.com/QEF/q-e/archive/qe-5.3.tar.gz'
+
+ version(
+ '6.2.0',
+ '972176a58d16ae8cf0c9a308479e2b97',
+ url='https://github.com/QEF/q-e/archive/qe-6.2.0.tar.gz'
+ )
version(
'6.1.0',
- 'db398edcad76e085f8c8a3f6ecb7aaab',
- url='http://www.qe-forge.org/gf/download/frsrelease/240/1075/qe-6.1.tar.gz'
+ '3fe861dcb5f6ec3d15f802319d5d801b',
+ url='https://github.com/QEF/q-e/archive/qe-6.1.0.tar.gz'
)
version(
'5.4.0',
- '8bb78181b39bd084ae5cb7a512c1cfe7',
- url='http://www.qe-forge.org/gf/download/frsrelease/211/968/espresso-5.4.0.tar.gz'
+ '085f7e4de0952e266957bbc79563c54e',
+ url='https://github.com/QEF/q-e/archive/qe-5.4.tar.gz'
+ )
+
+ version(
+ '5.3.0',
+ 'be3f8778e302cffb89258a5f936a7592',
+ url='https://github.com/QEF/q-e/archive/qe-5.3.tar.gz'
)
- version('5.3.0', '6848fcfaeb118587d6be36bd10b7f2c3')
variant('mpi', default=True, description='Builds with mpi support')
variant('openmp', default=False, description='Enables openMP support')