diff options
-rw-r--r-- | var/spack/repos/builtin/packages/qmcpack/package.py | 4 | ||||
-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') |