diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/sirius/fj.patch | 13 | ||||
| -rw-r--r-- | var/spack/repos/builtin/packages/sirius/package.py | 1 |
2 files changed, 14 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/sirius/fj.patch b/var/spack/repos/builtin/packages/sirius/fj.patch new file mode 100644 index 0000000000..567ced347e --- /dev/null +++ b/var/spack/repos/builtin/packages/sirius/fj.patch @@ -0,0 +1,13 @@ +diff --git a/src/hamiltonian/hamiltonian.cpp b/src/hamiltonian/hamiltonian.cpp +index 54a91df..ea66ecf 100644 +--- a/src/hamiltonian/hamiltonian.cpp ++++ b/src/hamiltonian/hamiltonian.cpp +@@ -74,7 +74,7 @@ Hamiltonian0<T>::Hamiltonian0(Potential& potential__, bool precompute_lapw__) + for (int j1 = 0; j1 <= j2; j1++) { + int lm1 = type.indexb(j1).lm; + int idxrf1 = type.indexb(j1).idxrf; +- hmt_[ia](j1, j2) = atom.radial_integrals_sum_L3<spin_block_t::nm>(idxrf1, idxrf2, ++ hmt_[ia](j1, j2) = atom.template radial_integrals_sum_L3<spin_block_t::nm>(idxrf1, idxrf2, + type.gaunt_coefs().gaunt_vector(lm1, lm2)); + hmt_[ia](j2, j1) = std::conj(hmt_[ia](j1, j2)); + } diff --git a/var/spack/repos/builtin/packages/sirius/package.py b/var/spack/repos/builtin/packages/sirius/package.py index fd73c669ec..e6da96a849 100644 --- a/var/spack/repos/builtin/packages/sirius/package.py +++ b/var/spack/repos/builtin/packages/sirius/package.py @@ -187,6 +187,7 @@ class Sirius(CMakePackage, CudaPackage, ROCmPackage): depends_on("umpire+rocm~device_alloc", when="+rocm") patch("mpi_datatypes.patch", when="@:7.2.6") + patch("fj.patch", when="@7.3.2: %fj") def cmake_args(self): spec = self.spec |