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| author | Leopold Talirz <leopold.talirz@gmail.com> | 2023-08-23 11:08:13 +0200 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2023-08-23 11:08:13 +0200 |
| commit | 5090023e3a419e2b2543a815d262409afc7d797b (patch) | |
| tree | 3635bbde0b15e57a6bfb3241f558212c57f43acb | |
| parent | d355880110ce66552f6d458accc52a125d4a47a3 (diff) | |
| download | spack-5090023e3a419e2b2543a815d262409afc7d797b.tar.gz spack-5090023e3a419e2b2543a815d262409afc7d797b.tar.bz2 spack-5090023e3a419e2b2543a815d262409afc7d797b.tar.xz spack-5090023e3a419e2b2543a815d262409afc7d797b.zip | |
xtb: fix `la_backend` logic (#38309)
| -rw-r--r-- | var/spack/repos/builtin/packages/test-drive/package.py | 17 | ||||
| -rw-r--r-- | var/spack/repos/builtin/packages/xtb/package.py | 6 |
2 files changed, 21 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/test-drive/package.py b/var/spack/repos/builtin/packages/test-drive/package.py new file mode 100644 index 0000000000..b5221570db --- /dev/null +++ b/var/spack/repos/builtin/packages/test-drive/package.py @@ -0,0 +1,17 @@ +# Copyright 2013-2023 Lawrence Livermore National Security, LLC and other +# Spack Project Developers. See the top-level COPYRIGHT file for details. +# +# SPDX-License-Identifier: (Apache-2.0 OR MIT) + +from spack.package import * + + +class TestDrive(MesonPackage): + """Simple testing framework for Fortran packages""" + + homepage = "https://github.com/fortran-lang/test-drive" + url = "https://github.com/fortran-lang/test-drive/releases/download/v0.4.0/test-drive-0.4.0.tar.xz" + + maintainers("awvwgk") + + version("0.4.0", "effabe5d46ea937a79f3ea8d37eea43caf38f9f1377398bad0ca02784235e54a") diff --git a/var/spack/repos/builtin/packages/xtb/package.py b/var/spack/repos/builtin/packages/xtb/package.py index 2bf378d6af..b93d10497e 100644 --- a/var/spack/repos/builtin/packages/xtb/package.py +++ b/var/spack/repos/builtin/packages/xtb/package.py @@ -23,9 +23,11 @@ class Xtb(MesonPackage): depends_on("meson@0.57.2:", type="build") depends_on("mctc-lib") depends_on("pkgconfig", type="build") - depends_on("tblite", when="@6.6.0:") + depends_on("tblite", when="+tblite") + depends_on("test-drive", type="build") variant("openmp", default=True, description="Use OpenMP parallelisation") + variant("tblite", default=True, when="@6.6.0:", description="Use tblite for xTB calculations") def meson_args(self): lapack = self.spec["lapack"].libs.names[0] @@ -34,7 +36,7 @@ class Xtb(MesonPackage): elif lapack != "openblas": lapack = "netlib" - lapack_opt = "-Dlapack={0}" if self.version > Version("6.6.0") else "-Dla_backend={0}" + lapack_opt = "-Dlapack={0}" if self.version >= Version("6.6.0") else "-Dla_backend={0}" return [ lapack_opt.format(lapack), |