On Mon, Nov 22, 2021, Mark Dixon wrote:
>
>I'm trying to tackle building amber20 using the new cmake-based system
>for the first time. I'm not sure what compiler to use, so am playing
>with GCC 11.2 on Rocky 8 Linux and have hit a problem.
>
>The build process adds an RPATH into its test executables, with
>/usr/lib64 placed sufficiently near the start that the OS-provided GCC
>gfortran runtime overrides my compiler (which is in a non-standard
>location). The contents of $AMBERHOME/{bin,lib} don't suffer from this
>problem.
>
>Manually deleting the RPATH fixes the test executables, but is annoying.
We are in the process of deprecating NAB. The first step was to remove
references to it from the documentation. A second step (which you may wish
to do now) is to not run the NAB tests by default. To do this, go to
amber20_src/AmberTools/test, and remove "test.nab" from the target list
in test.serial and test.parallel2. Given your (somewhat?) unusual setup,
and the declining interest in NAB, figuring out how to fix these RPATH
issues in NAB is likely to be low on the to-do list. If you do need NAB,
see if you can just use the system compilers, which work in out CI tests.
Of course, if anyone has a cmake-based fix to the RPATH problem, let us
know!
[Aside: A third stage, removing NAB entirely (by moving it to its own
repository) is not likely to happen soon, since some workflows depend upon
it. But we are encouraging people to convert to "nabc", which offers similar
functionality, but with C rather than NAB as the programming language.]
....dac
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Received on Tue Nov 23 2021 - 09:30:03 PST
