Re: [easybuild] GPAW/23.9.1-foss-2023a - ASE dependency too old?

2023-11-09 Thread Jakob Schiotz
Hi, I just asked the main GPAW developer about this one. Yes, there is one advanced feature in the code that requires stuff in ASE that is not yet in the released version of ASE. We really hope that a new version will be released within a few weeks, they just held a hackathon to get stuff rea

Re: [easybuild] Building for multiple architectures

2023-11-09 Thread Jakob Schiotz
Sorry for being late in replying, the spam filter held your mail. > On 6 Nov 2023, at 15.21, Loris Bennett wrote: > > Hi Jakob, > > Jakob Schiotz writes: > >> At our cluster, the different nodes mount the /home/modules folder >> from different file systems, so they each contain the modules f

Re: [easybuild] Building for multiple architectures

2023-11-09 Thread Loris Bennett
Hi Jakob, Jakob Schiotz writes: > Sorry for being late in replying, the spam filter held your mail. No problem. >> On 6 Nov 2023, at 15.21, Loris Bennett wrote: >> >> Hi Jakob, >> >> Jakob Schiotz writes: >> >>> At our cluster, the different nodes mount the /home/modules folder >>> from d

Re: [easybuild] Installing alphafold with Easybuild

2023-11-09 Thread Loris Bennett
Ciao Roberto, Roberto Scipioni writes: > File "", line 1050, in _gcd_import > File "", line 1027, in _find_and_load > File "", line 992, in _find_and_load_unlocked > File "", line 241, in _call_with_frames_removed > File "", line 1050, in _gcd_import > File "", line 1027, in _find_and_load > Fi

Re: [easybuild] Installing alphafold with Easybuild

2023-11-09 Thread Roberto Scipioni
Thanks, Poetry is included though in the dependencies that TensorFlow requires... I checked and the environment seems clean, nothingh in .bashrc There may other files or dirs of the .file kind that may interfere I will check Regards Roberto Il giovedì 9 novembre 2023 10:58:04 GMT, Loris

Re: [easybuild] Installing alphafold with Easybuild

2023-11-09 Thread HPC-Service
Hi Roberto, Roberto Scipioni writes: > Thanks, > > Poetry is included though in the dependencies that TensorFlow requires... OK, that seems to be an new dependency. But you are using --robot, right? So poetry should just get installed along with the other dependencies. > I checked and the e