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| author | marcosmazz <nogomanohay@yahoo.com.ar> | 2023-03-30 20:28:14 -0300 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2023-03-30 16:28:14 -0700 |
| commit | bd20b7b8b72d994a2f2186b44198498c3196e2b5 (patch) | |
| tree | 4a0b559156c1b4d42ca2d48e0cb61b4f7c94ab49 | |
| parent | 08426ec4929521c01386431654c940b10c72b729 (diff) | |
| download | spack-bd20b7b8b72d994a2f2186b44198498c3196e2b5.tar.gz spack-bd20b7b8b72d994a2f2186b44198498c3196e2b5.tar.bz2 spack-bd20b7b8b72d994a2f2186b44198498c3196e2b5.tar.xz spack-bd20b7b8b72d994a2f2186b44198498c3196e2b5.zip | |
QE v7.1 add post-processing tools installation (#36484)
* 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
| -rw-r--r-- | var/spack/repos/builtin/packages/quantum-espresso/package.py | 12 |
1 files changed, 12 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/quantum-espresso/package.py b/var/spack/repos/builtin/packages/quantum-espresso/package.py index fe53254cf8..29e7c6141d 100644 --- a/var/spack/repos/builtin/packages/quantum-espresso/package.py +++ b/var/spack/repos/builtin/packages/quantum-espresso/package.py @@ -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" |