Re: [easybuild] Reason for no recent US-GAMESS?

2023-12-14 Thread Alex DOMINGO TORO
Hi Loris, I got the sources of GAMESS-US v20230630-R2. There are indeed multiple breaking changes (mostly new optional stuff). I updated the easyblock to be compatible with those. I also made an easyconfig to install this version of GAMESS-US. You can find it in the following PR:

[easybuild] dorado 0.5.0

2023-12-14 Thread Borut Rozman
Hi everyone, Has anyone had a chance on building dorado 0.5.0 with foss 2022a and cuda 11.7? I made it work with binary - cpu only at the moment but guidance on building it with cuda support would be nice. Thanks Borut

Re: [easybuild] Reason for no recent US-GAMESS?

2023-12-14 Thread Loris Bennett
Hi Alex, Alex DOMINGO TORO writes: > Hi Loris, > > I got the sources of GAMESS-US v20230630-R2. There are indeed multiple > breaking changes (mostly new optional stuff). I updated the easyblock > to be compatible with those. > > I also made an easyconfig to install this version of GAMESS-US.