diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/cp2k/package.py | 11 | ||||
| -rw-r--r-- | var/spack/repos/builtin/packages/dbcsr/package.py | 1 | ||||
| -rw-r--r-- | var/spack/repos/builtin/packages/dla-future-fortran/package.py | 1 |
3 files changed, 11 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/cp2k/package.py b/var/spack/repos/builtin/packages/cp2k/package.py index 8c7dae2b7c..98f0d98327 100644 --- a/var/spack/repos/builtin/packages/cp2k/package.py +++ b/var/spack/repos/builtin/packages/cp2k/package.py @@ -20,6 +20,7 @@ GPU_MAP = { "60": "P100", "70": "V100", "80": "A100", + "90": "H100", "gfx906": "Mi50", "gfx908": "Mi100", "gfx90a": "Mi250", @@ -45,6 +46,7 @@ class Cp2k(MakefilePackage, CMakePackage, CudaPackage, ROCmPackage): license("GPL-2.0-or-later") + version("2024.2", sha256="cc3e56c971dee9e89b705a1103765aba57bf41ad39a11c89d3de04c8b8cdf473") version("2024.1", sha256="a7abf149a278dfd5283dc592a2c4ae803b37d040df25d62a5e35af5c4557668f") version("2023.2", sha256="adbcc903c1a78cba98f49fe6905a62b49f12e3dfd7cedea00616d1a5f50550db") version("2023.1", sha256="dff343b4a80c3a79363b805429bdb3320d3e1db48e0ff7d20a3dfd1c946a51ce") @@ -235,7 +237,7 @@ class Cp2k(MakefilePackage, CMakePackage, CudaPackage, ROCmPackage): depends_on("dla-future +cuda", when="+cuda") depends_on("dla-future +rocm", when="+rocm") - with when("@master"): + with when("@2024.2:"): depends_on("dla-future-fortran@0.1.0:") # Use a direct dependency on dla-future so that constraints can be expressed @@ -246,6 +248,11 @@ class Cp2k(MakefilePackage, CMakePackage, CudaPackage, ROCmPackage): depends_on("dla-future +cuda", when="+cuda") depends_on("dla-future +rocm", when="+rocm") + conflicts( + "+plumed", + when="@:2024.1 build_system=cmake", + msg="PLUMED support is broken in cp2k@:2024.1 with CMake", + ) with when("+plumed"): depends_on("plumed+shared") depends_on("plumed+mpi", when="+mpi") @@ -315,7 +322,7 @@ class Cp2k(MakefilePackage, CMakePackage, CudaPackage, ROCmPackage): # from the parent class, since the parent class defines constraints for all # versions. Instead just mark all unsupported cuda archs as conflicting. - supported_cuda_arch_list = ("35", "37", "60", "70", "80") + supported_cuda_arch_list = ("35", "37", "60", "70", "80", "90") supported_rocm_arch_list = ("gfx906", "gfx908", "gfx90a", "gfx90a:xnack-", "gfx90a:xnack+") cuda_msg = "cp2k only supports cuda_arch {0}".format(supported_cuda_arch_list) rocm_msg = "cp2k only supports amdgpu_target {0}".format(supported_rocm_arch_list) diff --git a/var/spack/repos/builtin/packages/dbcsr/package.py b/var/spack/repos/builtin/packages/dbcsr/package.py index f9c7581fc7..68c52540c5 100644 --- a/var/spack/repos/builtin/packages/dbcsr/package.py +++ b/var/spack/repos/builtin/packages/dbcsr/package.py @@ -147,6 +147,7 @@ class Dbcsr(CMakePackage, CudaPackage, ROCmPackage): "-DLAPACK_LIBRARIES=%s" % (spec["lapack"].libs.joined(";")), self.define_from_variant("BUILD_SHARED_LIBS", "shared"), self.define_from_variant("WITH_EXAMPLES", "examples"), + self.define_from_variant("WITH_G2G", "g2g"), ] # Switch necessary as a result of a bug. diff --git a/var/spack/repos/builtin/packages/dla-future-fortran/package.py b/var/spack/repos/builtin/packages/dla-future-fortran/package.py index ea6a50c742..184c2a4db2 100644 --- a/var/spack/repos/builtin/packages/dla-future-fortran/package.py +++ b/var/spack/repos/builtin/packages/dla-future-fortran/package.py @@ -31,6 +31,7 @@ class DlaFutureFortran(CMakePackage): generator("ninja") depends_on("cmake@3.22:", type="build") + depends_on("pkgconfig", type="build") depends_on("dla-future@0.4.1:0.5 +scalapack", when="@0.1.0") depends_on("dla-future@0.6.0: +scalapack", when="@0.2.0:") |