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tblite: Add version 0.7.0 - #3215

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@luhenry luhenry commented Oct 14, 2026 •

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Compiles the tblite Fortran library and its meson subprojects (dftd4, s-dftd3, mctc-lib, ...) into a CFFI extension linked against LAPACK. Upstream publishes no riscv64 wheel.

Mirrors upstream's wheel.yml sdist and wheels jobs.

Differs from upstream

  • sdist job installs its build tools from PyPI with uv instead of a micromamba environment.
  • PyPy wheels not built.

Testing

  • Adds pytest --pyargs tblite (upstream's build.yml Python test) with ase; qcelemental dropped, its QCSchema tests skip.

License: Wheel bundles reference LAPACK/BLAS (BSD-3-Clause) and libgfortran (GPL-3.0-or-later WITH GCC-exception-3.1); the patch adds the LAPACK licence, and the gcc sources are published.

Patches

  • 0001-Ship-tblite-s-and-its-bundled-dependencies-licences-.patch - To upstream. Upstream wheels ship no licence files (legacy license.text under meson-python); lists tblite's, its subprojects' and LAPACK's. Reproduces on x86.

Patched sdist builds under QEMU riscv64; wheel results from CI.

luhenry added a commit that referenced this pull request Oct 14, 2026
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luhenry marked this pull request as draft October 14, 2026 11:30

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