Hi Ole,
On 18/03/2021 18:29, Ole Holm Nielsen wrote:
Dear Easybuilders,
I have received a request to provide the software AFLOW - Automatic FLOW
for Materials Discovery (http://aflow.org) with an installation page at
http://aflow.org/install-aflow/
Question: Has anyone been working on an EB module for AFLOW?
I don't know of anyone who has worked on installing AFLOW with
EasyBuild, unfortunately.
I took a quick look at it myself, and it's basically just a "make", and
then copying stuff in the right place (+ some symlinks sprinkled on top,
it seems).
Versioned source tarballs are available at
http://materials.duke.edu/AFLOW/ .
It's a bit messy, but we've seen a lot worse. :)
One thing though: make very sure you specify the compiler options to use
via:
buildopts = 'OPTS="${CXXFLAGS}"'
By default, OPTS is empty in the Makefile, which implies compiling with
no specific compiler options.
And with -O0 being the default in g++, that's *not* a good idea.
I wonder if the developer of AFLOW is aware of that, because also his
handy "xaflow" installation script doesn't seem to specify any compiler
options, not even something like (-O2).
I could have overlooked something, I didn't try the actual installation
myself, but it's definitely something to look out for...
regards,
Kenneth
Thanks a lot,
Ole
