Re: [AMBER] "Problem installing Miniconda"

From: Hai Nguyen <>
Date: Thu, 18 Apr 2019 14:00:05 -0400

On Thu, Apr 18, 2019 at 1:55 PM David A Case <> wrote:

> 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.

numpy requires either mkl (default) or nonmkl (use blass/openblass instead).
But I don't know why Steve got the error because we do have Jenkin to test
it. May be it's because of anaconda server.


> 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 - 11:30:01 PDT
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