diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/quantum-espresso/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/quantum-espresso/package.py | 21 |
1 files changed, 16 insertions, 5 deletions
diff --git a/var/spack/repos/builtin/packages/quantum-espresso/package.py b/var/spack/repos/builtin/packages/quantum-espresso/package.py index 40c036320d..dacf771f60 100644 --- a/var/spack/repos/builtin/packages/quantum-espresso/package.py +++ b/var/spack/repos/builtin/packages/quantum-espresso/package.py @@ -227,13 +227,8 @@ class QuantumEspresso(CMakePackage, Package): variant( "gipaw", default=False, - when="build_system=generic", description="Builds Gauge-Including Projector Augmented-Waves executable", ) - with when("+gipaw"): - conflicts( - "@:6.3", msg="gipaw standard support available for QE 6.3 or grater version only" - ) # Dependencies not affected by variants depends_on("blas") @@ -260,6 +255,15 @@ class QuantumEspresso(CMakePackage, Package): # NOTE: *SOME* third-party patches will require deactivation of # upstream patches using `~patch` variant + # gipaw + conflicts( + "@:6.2", + when="+gipaw", + msg="gipaw standard support available for QE 6.3 or grater version only", + ) + + conflicts("+gipaw build_system=cmake", when="@:7.1") + # Only CMake will work for @6.8: %aocc conflicts( "build_system=generic", when="@6.8: %aocc", msg="Please use CMake to build with AOCC" @@ -400,6 +404,9 @@ class QuantumEspresso(CMakePackage, Package): # extlibs_makefile updated to work with fujitsu compilers patch("fj-fox.patch", when="+patch %fj") + # gipaw.x will only be installed with cmake if the qe-gipaw version is >= 5c4a4ce. + patch("gipaw-eccee44.patch", when="@7.2+gipaw build_system=cmake") + class CMakeBuilder(spack.build_systems.cmake.CMakeBuilder): def cmake_args(self): @@ -416,6 +423,10 @@ class CMakeBuilder(spack.build_systems.cmake.CMakeBuilder): self.define_from_variant("QE_ENABLE_MPI_GPU_AWARE", "mpigpu"), ] + if "+gipaw" in spec: + cmake_args.append(self.define("QE_ENABLE_PLUGINS", "gipaw")) + cmake_args.append(self.define("QE_ENABLE_FOX", True)) + if "+cuda" in self.spec: cmake_args.append(self.define("QE_ENABLE_OPENACC", True)) |