On 09/06/2020 09:34, Guillaume Gaullier wrote:


On 9 Jun 2020, at 02:39, Paul Emsley <pems...@mrc-lmb.cam.ac.uk 
<mailto:pems...@mrc-lmb.cam.ac.uk>> wrote:

Keen as I am for people to (successfully) compile the source code, I don't think that it's necessary in this case - you just need to activate the relevant modules from the Calculate menu.

It may not be necessary in Saif’s case, but in general it would be nice if anyone could fully exercise freedom 0 (run the software) not necessarily from pre-built binary or having to install the entire CCP4 suite. Coot is very helpful, and there are definitely use cases for it outside of the CCP4 suite.

I tried to compile Coot from the current (as of yesterday) git commit, and could not figure it out in a reasonable amount of time (still haven’t figured it our, in fact). The INSTALL file starts by mentioning the usual ./configure ; make ; make install, but the repository does not seem to contain a configure script. Further down in the INSTALL file, I am instructed to run build-it as the recommended automatic option, so I tried that: it downloads a few things and seems to stop there, not telling me what to do next.

The automatic script is the prefered option and is linked from the web page:

https://raw.githubusercontent.com/pemsley/coot/refinement/build-it

The build logs are, by default in ~/public_html/build_logs. When it has terminated, I read the build.log and the compiler-dependent component logs to see what went wrong. Then I edit the build script and re-run it. This is a painstaking operation, because editing code is done by the script, not by hand - and doubly so when the build is on someone else's computer. I recognise the importance of this part of my work - but it is not my favourite thing to do.

There are on-going issues with libpng, getopt_long configuration, and OpenMP configuration in CXXBalls that I'd like to resolve (they work on my computer, needless to say).

Paul.

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