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-rw-r--r--var/spack/repos/builtin/packages/cp2k/package.py5
1 files changed, 3 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/cp2k/package.py b/var/spack/repos/builtin/packages/cp2k/package.py
index 84b88ddc50..ee969b64bc 100644
--- a/var/spack/repos/builtin/packages/cp2k/package.py
+++ b/var/spack/repos/builtin/packages/cp2k/package.py
@@ -58,7 +58,7 @@ class Cp2k(MakefilePackage, CudaPackage):
"elpa",
default=False,
description="Enable optimised diagonalisation routines from ELPA",
- when="@8.3:",
+ when="@6.1:",
)
variant(
"sirius",
@@ -246,6 +246,7 @@ class Cp2k(MakefilePackage, CudaPackage):
sha256="3617abb877812c4b933f601438c70f95e21c6161bea177277b1d4125fd1c0bf9",
when="@8.2",
)
+ patch("posix_c_source.patch", when="%aocc")
def url_for_version(self, version):
url = "https://github.com/cp2k/cp2k/releases/download/v{0}/cp2k-{0}.tar.bz2"
@@ -274,7 +275,7 @@ class Cp2k(MakefilePackage, CudaPackage):
def edit(self, spec, prefix):
pkgconf = which("pkg-config")
- fftw = spec["fftw-api"]
+ fftw = spec["fftw-api:openmp" if "+openmp" in spec else "fftw-api"]
fftw_header_dir = fftw.headers.directories[0]
# some providers (mainly Intel) keep the fftw headers in a subdirectory, find it