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libxc: add kxc and lxc variants (#38937)

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* libxc: add kxc and lxc variants
* libxc: add kxc and lxc variants for @5:0:
* Apply suggestion from @tldahlgren

---------

Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
This commit is contained in:
Ashwin Kumar Karnad 2023-07-17 19:53:29 +02:00 committed by GitHub
parent 1100cdf5a0
commit c9b7eb3647
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1 changed files with 6 additions and 0 deletions
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var/spack/repos/builtin/packages/libxc/package.py
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@ -30,6 +30,8 @@ class Libxc(AutotoolsPackage, CudaPackage):
version("2.2.1", sha256="ade61c1fa4ed238edd56408fd8ee6c2e305a3d5753e160017e2a71817c98fd00") version("2.2.1", sha256="ade61c1fa4ed238edd56408fd8ee6c2e305a3d5753e160017e2a71817c98fd00")
variant("shared", default=True, description="Build shared libraries") variant("shared", default=True, description="Build shared libraries")
variant("kxc", default=False, when="@5:", description="Build with third derivatives")
variant("lxc", default=False, when="@5:", description="Build with fourth derivatives")
conflicts("+shared +cuda", msg="Only ~shared supported with +cuda") conflicts("+shared +cuda", msg="Only ~shared supported with +cuda")
conflicts("+cuda", when="@:4", msg="CUDA support only in libxc 5.0.0 and above") conflicts("+cuda", when="@:4", msg="CUDA support only in libxc 5.0.0 and above")
@ -118,6 +120,10 @@ def configure_args(self):
args = [] args = []
args += self.enable_or_disable("shared") args += self.enable_or_disable("shared")
args += self.enable_or_disable("cuda") args += self.enable_or_disable("cuda")
if "+kxc" in self.spec:
args.append("--enable-kxc")
if "+lxc" in self.spec:
args.append("--enable-lxc")
return args return args
@run_after("configure") @run_after("configure")