Added a simple module map

Iximiel commented 2 months ago

Description

@gtribello, @GiovanniBussi I have set up a simple module map It can be used as PLMD::getModuleMap().at("actionName")[^1] to return the name of the module that includes that action (even if the module is not active in the current installation)

for 2.10 it is possible to add also an extra function that returns a std::optional with the module name to not doing the .count("actionname") before calling the at (that may throw), since std::optional is c++17

Since regex are scary I put a link to a site tha visualize the one used in the new maketool script The new maketool script uses pure bash, I think there should not be problem between bash versions for the regex that I used, and I used pure bash to avoid having the user to install gawk or perl I do not know if you like the requirements for the .inc file [^1]:operator[] has no const overloads for std::map and std::unordered_map

Target release

I would like my code to appear in release 2.9

Type of contribution

[X] changes to code or doc authored by PLUMED developers, or additions of code in the core or within the default modules
[ ] changes to a module not authored by you
[ ] new module contribution or edit of a module authored by you

Copyright

[X] I agree to transfer the copyright of the code I have written to the PLUMED developers or to the author of the code I am modifying.

[ ] the module I added or modified contains a COPYRIGHT file with the correct license information. Code should be released under an open source license. I also used the command cd src && ./header.sh mymodulename in order to make sure the headers of the module are correct.

Tests

[ ] I added a new regtest or modified an existing regtest to validate my changes.
[ ] I verified that all regtests are passed successfully on GitHub Actions.

GiovanniBussi commented 2 months ago

I guess the script is not portable to different (non gnu) core utils

Iximiel commented 2 months ago

I changed the regex to something more restrictive, now accepts only standard whitespaces instead of \s that is "any kind of space" and it works. I still do not understand why ,\s* does not work but , * yes, since \s do not cause problem in any other place... But I guess that the important things is that it works

plumed / plumed2