diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/cp2k/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/cp2k/package.py | 15 |
1 files changed, 9 insertions, 6 deletions
diff --git a/var/spack/repos/builtin/packages/cp2k/package.py b/var/spack/repos/builtin/packages/cp2k/package.py index 94dfbfec40..27deecf784 100644 --- a/var/spack/repos/builtin/packages/cp2k/package.py +++ b/var/spack/repos/builtin/packages/cp2k/package.py @@ -276,12 +276,10 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage): depends_on("wannier90", when="@3.0+mpi") with when("build_system=cmake"): - depends_on("dbcsr") - depends_on("dbcsr@2.6:", when="@2023.2:") + depends_on("dbcsr@2.6:") depends_on("dbcsr+openmp", when="+openmp") depends_on("dbcsr+cuda", when="+cuda") depends_on("dbcsr+rocm", when="+rocm") - conflicts("+mpi_f08", when="@:2023.2") # CP2K needs compiler specific compilation flags, e.g. optflags conflicts("%apple-clang") @@ -352,6 +350,7 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage): # These patches backport 2023.x fixes to previous versions patch("backport_avoid_null_2022.x.patch", when="@2022.1:2022.2 %aocc@:4.0") patch("backport_avoid_null_9.1.patch", when="@9.1 %aocc@:4.0") + patch("cmake-fixes-2023.2.patch", when="@2023.2 build_system=cmake") # Patch for an undefined constant due to incompatible changes in ELPA @when("@9.1:2022.2 +elpa") @@ -427,9 +426,13 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage): ldflags = [] libs = [] - # CP2K Makefile doesn't set C standard, but the source code uses - # C99-style for-loops with inline definition of iterating variable. - cflags.append(self.compiler.c99_flag) + # CP2K Makefile doesn't set C standard + if spec.satisfies("@2023.2:"): + # Use of DBL_DECIMAL_DIG + cflags.append(self.compiler.c11_flag) + else: + # C99-style for-loops with inline definition of iterating variable. + cflags.append(self.compiler.c99_flag) if "%intel" in spec: cflags.append("-fp-model precise") |