* FIX: update the metadata group of the TREXIO file
This change is required to make `test_qmckl_trexio` pass with the recent additions to the TREXIO (see `unsafe` attribute of the metadata group).
* Install the latest TREXIO in GH actions
* Enable CI test on MacOS
* Fix TREXIO installation on MacOS
* Update TREXIO pkg-config path
* Change PKG_CONFIG_PATH
* Fix F77 issue of autoconf
* Disable useless F77 check
* comment
* Update distance test code
The distance test has been updated to the latest version, with a first attempt at using vfc_probes inside it
* Functional implementation of vfc_probes in the distance tests
This commit has the first functional vfc_ci tests. Verificarlo tests
should be written over the existing tests, and they can be enabled with
the following configure command:
QMCKL_DEVEL=1 ./configure --prefix=$PWD/_install --enable-maintainer-mode --enable-vfc_ci CC="verificarlo-f -Mpreprocess -D VFC_CI" FC="verificarlo-f -Mpreprocess -D VFC_CI" --host=x86_64
The --enable-vfc_ci flag will trigger the linking of the vfc_ci
library. Moreover, as of now, the "-Mpreprocess" and "-D VFC_CI" flags
have to be specified directly here. There is probably an appropriate
macro to place those flags into but I couldn't find it yet, and could
only manage to build the tests this way.
When the VFC_CI preprocessor is defined, somme additional code to
register and export the test probes can be executed (see
qmckl_distance.org).
As of now, the tests are built as normal, even though they are expected
to fail :
make all
make check
From there, the test_qmckl_distance (and potentially the others)
executable can be called at will. This will typically be done
automatically by vfc_ci, but one could manually execute the executable
by defining the following env variables :
VFC_PROBES_OUTPUT="test.csv" VFC_BACKENDS="libinterflop_ieee.so"
depending on the export file and the Verificarlo backend to be used.
The next steps will be to define more tests such as this one, and to
integrate them into a Verificarlo CI workflow (by writing a
vfc_tests_config.json file and using the automatic CI setup
command).
* Error in FOrtran interface fixed
* Added missing Fortran interfaces
* Modify distance test and install process integration
All probes are now ignored using only the preprocessor (instead
of checking for a facultative argument) in the distance test.
Moreover,preprocessing can now be enabled correctly using FCFLAGS
(the issue seemed to come from the order of the arguments passed
to gfortran/verificarlo-f with the preprocessor arg having to come
first).
* Add vfc_probes to AO tests
vfc_probes have been added to qmckl_ao.org in the same way as
qmckl_distance.org, which means that it can be enabled or disabled at
compile time using the --enable-vfc_ci option.
qmckl_distance.org has been slightly modified with a better indentation,
and configure.ac now adds the "-D VFC_CI" flag to CFLAGS when vfc_ci is
enabled.
Co-authored-by: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
