riscv 2025.06-001: add libxc 7.0.0 + QuantumESPRESSO 7.5 (foss-2025b) - #131
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riscv 2025.06-001: add libxc 7.0.0 + QuantumESPRESSO 7.5 (foss-2025b)#131hmeiland wants to merge 1 commit into
hmeiland wants to merge 1 commit into
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Add libxc-7.0.0-GCC-14.3.0.eb (easybuilders/easybuild-easyconfigs#23773) and QuantumESPRESSO-7.5-foss-2025b.eb to the eb-5.3.0-2025b easystack. QE is pinned to commit 71365af7 (PR #25201) so its ELPA dependency is 2025.06.002, matching this stack; the introducing PR #23799 still targets ELPA 2025.06.001. Built and verified on RISC-V SpaceMiT X60 (Banana Pi BPI-F3).
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Adds two easyconfigs to
easystacks/riscv/2025.06-001/eessi-2025.06-eb-5.3.0-2025b.yml:libxc-7.0.0-GCC-14.3.0.eb—from-commit efbfa16d(introduced in {chem}[foss/2025b] GPAW v25.7.0, ELPA v2025.06.001, libxc v7.0.0, ... easybuilders/easybuild-easyconfigs#23773)QuantumESPRESSO-7.5-foss-2025b.eb—from-commit 71365af7(update ELPA 2025.06.001 to 2025.06.002 in easyconfigs for GPAW 25.7.0 and QuantunESPRESSO 7.5 using 2025b toolchain easybuilders/easybuild-easyconfigs#25201)Why QE is pinned to #25201, not its introducing PR #23799
QuantumESPRESSO-7.5-foss-2025b.ebwas added in #23799, but that revision depends on ELPA 2025.06.001. This stack builds ELPA 2025.06.002 (already listed). PR #25201 bumped the QE (and GPAW) easyconfig's ELPA dependency to 2025.06.002, so its commit71365af7is pinned to keep the dependency consistent with the stack — pinning #23799's own commit would instead pull an ELPA 2025.06.001 that isn't provided here.libxcis listed before QE (it is a QE build dependency). HDF5 1.14.6 and ELPA 2025.06.002 are already provided by the stack.Verification
Both were built with EasyBuild 5.3.0 on a real RISC-V board (SpaceMiT X60 / Banana Pi BPI-F3,
foss-2025b), and QE 7.5pw.xruns correctly — a small Si SCF converges, with a matching total energy across the scalar and RVV OpenBLAS BLAS backends.