Hi Eric,
Eric Brown writes:
>> On Sep 13, 2021, at 3:01 AM, Sarah Morgensen wrote:
>>
>>
>> Thanks for all your work on this package. Did you ever make further
>> progress on this? Are you still interested in working on getting
>> OpenMolcas in Guix?
>>
>> —
>> Sarah
>
> Hi Sarah,
>
> I
> On Sep 13, 2021, at 3:01 AM, Sarah Morgensen wrote:
>
>
> Thanks for all your work on this package. Did you ever make further
> progress on this? Are you still interested in working on getting
> OpenMolcas in Guix?
>
> —
> Sarah
Hi Sarah,
I have made a new port from scratch, which I am
Hello Eric,
Eric Brown writes:
> l...@gnu.org (Ludovic Courtès) writes:
>
>> Hi Eric,
>>
>> We’re almost there! :-)
>>
>> I made small changes (moved comments about the patch at the top of the
>> patch; switch to ‘texlive-union’, which is much smaller than ‘texlive’),
>> leading to the
Hi Eric,
Eric Brown skribis:
> l...@gnu.org (Ludovic Courtès) writes:
[...]
>> Ideally basis_library/ and data/ would go under share/openmolcas, while
>> CONTRIBUTORS.md and LICENSE would go to share/doc/openmolcas. Also, it
>> would be nice to remove the ‘.exe’ extension.
>>
>> Do you think
l...@gnu.org (Ludovic Courtès) writes:
> Hi Eric,
>
> We’re almost there! :-)
>
> I made small changes (moved comments about the patch at the top of the
> patch; switch to ‘texlive-union’, which is much smaller than ‘texlive’),
> leading to the attached patch.
>
> It’s all good, except that the
Hi Eric,
We’re almost there! :-)
Eric Brown skribis:
> Thank you for your fixes! I've attached a revised patch. I'm well beyond
> my comfort zone, so I hope it applies cleanly and works.
>
> The default location of pymolcas is a little sketchy, being placed in
> the first writable location in
l...@gnu.org (Ludovic Courtès) writes:
> Here’s a revision of the patch with several modifications: I added
> comments in the patch (though they don’t explain the Python-related
> changes for instance; could you add a line about these?), stripped
> unnecessary additions from the patch, added it
Hi Eric,
Eric Brown skribis:
> I am pleased to submit a patch that adds OpenMolcas to Guix. Also
> included in this submission is a new variable called `openblas-ilp64'
> which OpenMolcas needs to compile and run.
Here’s a revision of the patch with several modifications: I added
comments in
