Migrate CI and dependencies from ryanmrichard to NWChemEx - #160

Merged

ryanmrichard merged 33 commits into

Aug 5, 2026

Commits on Jul 1, 2026

refactors build system
ryanmrichard
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55f2164
disable MPI tests for now
ryanmrichard
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4d17c14
update distribution name
ryanmrichard
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e3d59bc

Commits on Jul 2, 2026

pass includes to catch2_tests directly
ryanmrichard
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91a898e
add dependency
ryanmrichard
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3fd7d76

Commits on Jul 7, 2026

code factorization
ryanmrichard
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262b19e

Commits on Jul 8, 2026

Commits on Jul 9, 2026

Add TestPyPI publish job to merge.yaml; retarget NWXCMake build dep to fork

ryanmrichard
and
claude
committed
2dafc8a
Use shared deploy_to_pypi.yaml (fixes macOS-leg publish failure)

ryanmrichard
and
claude
committed
9814fd5
Inline deploy_to_pypi (reusable workflows unsupported by PyPI trusted publishing)

ryanmrichard
and
claude
committed
7c3c795
deploy_to_pypi: install MPI inside the cibuildwheel manylinux/macOS containers

ryanmrichard
and
claude
committed
33df2f1

Commits on Jul 10, 2026

Commits on Jul 13, 2026

Republish: fix build_pypi_dist to use exact sonames for auditwheel --exclude (glob patterns don't work on cibuildwheel v2.22.0's pinned auditwheel 6.1.0)
ryanmrichard
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9117428

Commits on Jul 15, 2026

use fork
ryanmrichard
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3d43d81

Commits on Aug 3, 2026

update pyproject.toml
ryanmrichard
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06c027b
add pre-commit to gitignore
ryanmrichard
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f0e9f0c
update pyproject.toml
ryanmrichard
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69e3b16

Commits on Aug 4, 2026

adds python build
ryanmrichard
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7a0a375

Commits on Aug 5, 2026

move nwxcmake/pybind11 to project
ryanmrichard
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ce6d75c
update nightly
ryanmrichard
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e021ef2
Migrate CI and dependencies from ryanmrichard to NWChemEx
ryanmrichard
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e7e93d1