Hi, I am fairly new to EasyBuild. I am having trouble with eb installation of 2 programs that require patching, and I couldn't find the solution in the docs, so I am hoping that somebody here can point me in the right direction. Sorry if this is the wrong place for such questions.
The first program is GROMACS that I need to patch with plumed. I need to have the GROMACS files un-tared, and then run the plumed patch command in their directory. During the patching plumed suggests several versions of GROMACS and asks which one you are trying to patch. It expects the number of the correct option as an answer. The second problem is simpler. I was trying to install the latest version of NWChem and add the patches they have on their webpage. Automatic patching by eb failed because it couldn't detect the patch level. When I tried the patching by hand, I found that one of the files that needed patching was, for some reason, not found automatically. I found it in a sub-sub-folder. Providing the path to that file was enough to make the patch work. So I have 2 questions: - What is a good way of doing this through EasyBuild? I would prefer to have EB do the full installation, so the person reinstalling it after me has less work to do. - Where can I read more about the different steps EasyBuild goes through during an installation (fetch, ready, source, patch, ...)? I tried preparing and patching the files, and then using --skipstep to let eb do the rest of the installation. But it seems that I put the files in the wrong folder, because EB couldn't find all the necessary files. Thanks for any suggestions or explanations. Regards, Elena Malkin
