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Test QMCkl with the latest TREXIO + MacOS CI #58

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merged 9 commits into from
Feb 1, 2022

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@q-posev q-posev commented Feb 1, 2022

test_qmckl_trexio was failing with recent versions of TREXIO due to the modifications in the metadata group which made the TREXIO file in share/qmckl/test_data/chbrclf incompatible (see TREXIO issue #81).

This PR fixes this by:

  • Updating metadata group in the share/qmckl/test_data/chbrclf
  • Change the GitHub actions to install the latest TREXIO (from the GitHub repo clone)

In the meantime, I also enabled the GitHub CI for MacOS.

Note: I removed rather useless AC_PROG_F77 check from configure.ac which requires the f77 or some other default Fortran 77 compiler name. I do not see the point of checking this since QMCkl at present does not have Fortran 77 code.

@q-posev q-posev requested review from scemama and removed request for scemama February 1, 2022 11:03
@scemama scemama merged commit eb34535 into TREX-CoE:master Feb 1, 2022
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