From 8e8071ffb6def6544f8c7d312d646312be8edaae Mon Sep 17 00:00:00 2001 From: Filippo Spiga Date: Wed, 19 Aug 2020 17:10:54 +0100 Subject: [WIP] Adding Quantum ESPRESSO v6.6 (#18091) * Adding v6.6 (latest stable) * There is no '-' in Quantum ESPRESSO Co-authored-by: Filippo Spiga --- var/spack/repos/builtin/packages/quantum-espresso/package.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/var/spack/repos/builtin/packages/quantum-espresso/package.py b/var/spack/repos/builtin/packages/quantum-espresso/package.py index 2fe01f864f..dcc15f770f 100644 --- a/var/spack/repos/builtin/packages/quantum-espresso/package.py +++ b/var/spack/repos/builtin/packages/quantum-espresso/package.py @@ -10,19 +10,20 @@ from spack import * class QuantumEspresso(Package): - """Quantum-ESPRESSO is an integrated suite of Open-Source computer codes + """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 pseudopotentials. """ homepage = 'http://quantum-espresso.org' - url = 'https://gitlab.com/QEF/q-e/-/archive/qe-6.5/q-e-qe-6.5.tar.gz' + url = 'https://gitlab.com/QEF/q-e/-/archive/qe-6.6/q-e-qe-6.6.tar.gz' git = 'https://gitlab.com/QEF/q-e.git' maintainers = ['naromero77'] version('develop', branch='develop') + version('6.6', sha256='924656cb083f52e5d2fe71ade05881389dac64b45316f1bdd6dee1c6170a672c', preferred=True) version('6.5', sha256='258b2a8a6280e86dad779e5c56356d8b35dc96d12ff33dabeee914bc03d6d602') version('6.4.1', sha256='b0d7e9f617b848753ad923d8c6ca5490d5d82495f82b032b71a0ff2f2e9cfa08') version('6.4', sha256='781366d03da75516fdcf9100a1caadb26ccdd1dedd942a6f8595ff0edca74bfe') -- cgit v1.2.3-60-g2f50