On Thu, Apr 18, 2019, Hai Nguyen wrote:
>
>You can use it with --with-python
>
>./configure --with-python /path/to/your/python gnu
>
>Otherwise, you can try to edit AmberTools/src/configure_python by deleting
>"nomkl" (which will make configure_python install very large block of "mkl")
I'll admit I'm lost here. Amber doesn't require either mkl or blas or
openblas. Is conda somehow trying to import openblas if -nomkl is set?
If so, we're not making any use of it.
It would be good to do a careful audit of our configure_python script:
I'm getting occasional failures there, which are generally very
difficult to debug. I'd prefer to have a minimal and stable
installation, even if some users have to do a "conda install xxxx"
later.
Certainly, it would nice if configure didn't exit when conda can't
find openblas, given that we are not making use of openblas anyway....
....dac
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Received on Thu Apr 18 2019 - 11:00:02 PDT
