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Paul Kent
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Update versions in README.md
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README.md

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@@ -66,23 +66,25 @@ Nightly testing currently includes at least the following software versions:
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* Compilers
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* GCC 14.2.0, 12.4.0
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* Clang/LLVM 19.1.4
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* Boost 1.86.0, 1.79.0
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* Clang/LLVM 19.1.7
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* Boost 1.87.0, 1.79.0
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* HDF5 1.14.5
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* FFTW 3.3.10
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* CMake 3.30.5
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* MPI
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* OpenMPI 5.0.5
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* CUDA 12.4
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* ROCm 6.3.0
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* OpenMPI 5.0.6
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* CUDA 12.8
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* ROCm 6.3.2
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* Python 3.13.1
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* NumPy 2.2.2
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For GPU acceleration on NVIDIA GPUs we test LLVM with CUDA using the above versions. On AMD GPUs we support using the latest ROCm
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version and its matching amdclang compiler, as listed above. On a developmental basis we also check the latest Clang and GCC
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development versions, and Intel OneAPI compilers.
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GitHub Actions-based tests include additional version combinations from within our two year support window.
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GitHub Actions-based tests include additional version combinations from within our two-year support window.
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Workflow tests are currently performed with Quantum ESPRESSO v7.4.0 and PySCF v2.7.0. These check trial wavefunction generation and
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Workflow tests are currently performed with Quantum ESPRESSO v7.4.1 and PySCF v2.8.0. These check trial wavefunction generation and
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conversion through to actual QMC runs.
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# Building with CMake

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