update custom easyblock for NAMD for version >= 3.0

[tanmoy1989]

(created using eb --new-pr)

This PR is to make sure that NMAD/3.0b6 version through this new EB file gets installed without an error. There were primary two errors I was encountering: (1) one is for to bypass the patch stuffs ([here] and [here]) from version NAMD/2.14 which don’t apply anymore to NAMD/3.0b6 version and (2) the other one was related to charm; where upon extraction the source code of NAMD/3.0b6, it was creating a directory called charm-v7.0.0 instead of charm-7.0.0 that was essentially throwing errors and preventing the installation NAMD/3.0b6). These two issues were fixed through this modified namd.py script.

[emdrago]

Test report by @emdrago

Overview of tested easyconfigs (in order)

• FAIL (build issue) NAMD-3.0b7-foss-2023a-openmp.eb (partial log available at https://gist.github.com/emdrago/02afd480a0ab268f412a2dee8f40bd29)

Build succeeded for 0 out of 1 (1 easyconfigs in total) compt313 - Linux RHEL 8.7 (Ootpa), x86_64, Intel(R) Xeon(R) Gold 6230 CPU @ 2.10GHz, Python 3.9.18 See https://gist.github.com/emdrago/05ef6fb7bb8ec808341dbfc5ecbc019a for a full test report.