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update LAMMPS easyblock for LAMMPS/23Jun22 #2213

Merged
merged 33 commits into from
Jul 22, 2022
Merged

update LAMMPS easyblock for LAMMPS/23Jun22 #2213

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f1c688c
Update LAMMPS easyblock for LAMMPS/22Oct20
Oct 28, 2020
e539ee8
Update lammps.py
Oct 28, 2020
9dfe1c6
Update lammps.py
Nov 27, 2020
733c669
Update to latest list of archs
Nov 12, 2021
2953b83
Update lammps.py
Nov 12, 2021
c95b0b8
Update lammps.py
Nov 12, 2021
cc85c80
Integrate input from @arkdavy
May 13, 2022
2928b9b
Appease hound
May 13, 2022
47f016b
Fix escape sequence
May 13, 2022
5b78c9f
Merge branch 'develop' into lammps_allow_disable_cuda
May 13, 2022
16c24ff
Fix escape sequence
May 13, 2022
0c7f739
Merge branch 'lammps_allow_disable_cuda' of github.com:ocaisa/easybui…
May 13, 2022
9b12cfb
Spacing for hound
May 13, 2022
1b992fe
Fix lint error
May 13, 2022
3d18b3c
Update for version 23Jun2022
ocaisa Jul 18, 2022
fec1b24
Fix lots of whitespace issues
ocaisa Jul 18, 2022
a3325c8
More hound issues
ocaisa Jul 18, 2022
aca8dc5
Update lammps.py
ocaisa Jul 18, 2022
32a4ef5
Only set `LD_LIBRARY_PATH` if really needed
ocaisa Jul 19, 2022
4059422
Define both `Python_EXECUTABLE` and `PYTHON_EXECTUABLE`
ocaisa Jul 20, 2022
53e925e
For older LAMMPS, the wrong Python libraries were being picked up
ocaisa Jul 20, 2022
5b46d3e
Missing import
ocaisa Jul 20, 2022
2ff4064
Update easybuild/easyblocks/l/lammps.py
ocaisa Jul 21, 2022
97d4342
Address review
ocaisa Jul 21, 2022
424a623
Update lammps.py
ocaisa Jul 21, 2022
9f9591b
Be forgiving if you can't find Python libs
ocaisa Jul 22, 2022
c7c7d96
Tidy up Python library detection
ocaisa Jul 22, 2022
97afdf2
Appease the hound
ocaisa Jul 22, 2022
3227c2f
Make sure to provide full path
ocaisa Jul 22, 2022
3331661
Missing import
ocaisa Jul 22, 2022
de8936d
Forgot to strip the newline
ocaisa Jul 22, 2022
f5a9c29
Error out if Python is not included as a dep
ocaisa Jul 22, 2022
616caf7
Provide correct Python include folder
ocaisa Jul 22, 2022
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