Commit Graph

16 Commits

Author SHA1 Message Date
Caubet Serrabou Marc
a21e9b18ed Update GROMACS: GPU option as tag 2020-07-28 16:55:35 +02:00
Caubet Serrabou Marc
6d5ad48949 Added Gromacs 2020.2 2020-05-19 17:13:57 +02:00
Caubet Serrabou Marc
e82f6f6359 Moved gromacs and java to stable 2019-09-26 10:00:00 +02:00
Caubet Serrabou Marc
154daf6890 Added Gromacs 2019 with GPU support 2019-08-28 14:21:56 +02:00
Caubet Serrabou Marc
08c8769fb6 Added Gromacs 2019 with GPU support 2019-08-23 11:20:13 +02:00
Caubet Serrabou Marc
278d04929a Added Gromacs 2019 with GPU support 2019-08-20 14:09:53 +02:00
Caubet Serrabou Marc
83aac7f8c7 New lammps 2018.11_merlin 2018-11-23 11:09:28 +01:00
Caubet Serrabou Marc
0b52dac4c6 Gromacs 2018.3 MPI, remove Gromacs from SandBox 2018-10-18 14:35:57 +02:00
c2a9db40dc obsolete files 'with_modules' removed 2018-10-16 10:08:32 +02:00
Achim Gsell
b74fd7bce4 build-scripts reviewed 2018-10-11 23:08:23 +02:00
ca84474aac pbuild::set_docfiles() renamed to pbuild::install_docfiles 2018-10-11 10:17:58 +02:00
d1b712b976 refactor variable names according to changes in Pmodules/0.99.15 in build-scripts of group 'MPI' 2018-07-11 10:49:42 +02:00
a8f456dfb5 MPI/gromacs
- use variant files to specify dependencies
- use max SSE2
- SOURCE_URL added
2017-11-20 17:55:44 +01:00
98687e94de use Pmodules extended commands in modulefiles (fixing issue #3) 2017-03-08 13:40:32 +01:00
1e058f71e1 MPI/gromacs/with_modules: added 2016-02-24 17:11:53 +01:00
0a9fefd921 all buildblocks moved one level up 2015-10-14 18:20:36 +02:00