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libxc: add kxc and lxc variants #38937

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merged 3 commits into from
Jul 17, 2023
Merged

libxc: add kxc and lxc variants #38937

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libxc: add kxc and lxc variants
iamashwin99 Jul 17, 2023
17c3db0
libxc: add kxc and lxc variants for @5:0:
iamashwin99 Jul 17, 2023
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Apply suggestion from @tldahlgren
iamashwin99 Jul 17, 2023
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6 changes: 6 additions & 0 deletions var/spack/repos/builtin/packages/libxc/package.py
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Original file line number Diff line number Diff line change
Expand Up @@ -30,6 +30,8 @@ class Libxc(AutotoolsPackage, CudaPackage):
version("2.2.1", sha256="ade61c1fa4ed238edd56408fd8ee6c2e305a3d5753e160017e2a71817c98fd00")

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("+cuda", when="@:4", msg="CUDA support only in libxc 5.0.0 and above")
Expand Down Expand Up @@ -118,6 +120,10 @@ def configure_args(self):
args = []
args += self.enable_or_disable("shared")
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

@run_after("configure")
Expand Down