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QE v7.1 add post-processing tools installation (#36484)

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* QE v7.1 add post-processing tools installation

Quantum-Espersso@7.1 ships with an incoplete CMakeLists.txt that prevents the installation of post-processing tools.
Added patches, is fixed in two different commits in upstream.

* fixed style

* removed spaces

* added MR references
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marcosmazz 2023-03-30 20:28:14 -03:00 committed by GitHub
parent 08426ec492
commit bd20b7b8b7
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var/spack/repos/builtin/packages/quantum-espresso/package.py
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@ -275,6 +275,18 @@ class QuantumEspresso(CMakePackage, Package):
conflicts("@6.5:", when="+environ", msg="6.4.x is the latest QE series supported by Environ")
# QE 7.1 fix post-processing install part 1/2
# see: https://gitlab.com/QEF/q-e/-/merge_requests/2005
patch_url = "https://gitlab.com/QEF/q-e/-/commit/4ca3afd4c6f27afcf3f42415a85a353a7be1bd37.diff"
patch_checksum = "e54d33e36a2667bd1d7e358db9fa9d4d83085264cdd47e39ce88754452ae7700"
patch(patch_url, sha256=patch_checksum, when="@:7.1 build_system=cmake")
# QE 7.1 fix post-processing install part 2/2
# see: https://gitlab.com/QEF/q-e/-/merge_requests/2007
patch_url = "https://gitlab.com/QEF/q-e/-/commit/481a001293de2f9eec8481e02d64f679ffd83ede.diff"
patch_checksum = "5075f2df61ef5ff70f2ec3b52a113f5636fb07f5d3d4c0115931f9b95ed61c3e"
patch(patch_url, sha256=patch_checksum, when="@:7.1 build_system=cmake")
# No patch needed for QMCPACK converter beyond 7.0
# 7.0
patch_url = "https://raw.githubusercontent.com/QMCPACK/qmcpack/v3.13.0/external_codes/quantum_espresso/add_pw2qmcpack_to_qe-7.0.diff"