002f6bbd30
Merge branch 'lammps' into 'master'
...
Lammps
See merge request Pmodules/buildblocks!119
2020-09-18 13:07:00 +02:00
d2539cb185
Merge branch 'gromacs' into 'master'
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Added Gromacs 2020.2
See merge request Pmodules/buildblocks!90
2020-09-18 13:06:37 +02:00
Caubet Serrabou Marc
139305ec03
Update LAMMPS: from make to cmake, OpenMPI 4.0.4 support, 2020.3
2020-08-27 17:42:48 +02:00
Caubet Serrabou Marc
8095111408
LAMMPS 2020
2020-07-30 16:44:43 +02:00
Caubet Serrabou Marc
b4f2bec8b9
LAMMPS 2020
2020-07-30 16:42:03 +02:00
Caubet Serrabou Marc
d392f7634a
Update QE: 6.5
2020-07-29 16:30:55 +02:00
Caubet Serrabou Marc
a21e9b18ed
Update GROMACS: GPU option as tag
2020-07-28 16:55:35 +02:00
899dfdfcb0
parmetis/4.0.3 module build for rhel6 and merlin6 with current GCCs and opemmpi
2020-07-16 16:48:17 +02:00
e06914aa36
hdf5/1.10.6 module build for rhel6 and merlin6
2020-07-16 16:44:19 +02:00
7e8ed1b740
elegant/2020.2.0: module build
2020-07-16 16:13:18 +02:00
f87d02aef6
boost/1.~7[03].0: build with current GCCs and openmpi
2020-07-16 15:49:34 +02:00
d1af65426b
amrex/18.07_3d: build with current GCCs and openmpi for rhel6 and merlin6
2020-07-16 15:42:26 +02:00
f89bd777c9
lapack/3.9.0: new build-block added
2020-07-16 15:29:33 +02:00
60f98fa57a
Update README.md
2020-06-17 10:19:11 +02:00
931bd68b3e
Update README.md
2020-06-16 18:40:23 +02:00
25a87799ec
Update README.md
2020-06-16 17:26:41 +02:00
0a5ffcfe30
Update README.md
2020-06-16 17:03:08 +02:00
f02e5c63df
Update README.md
2020-06-15 19:02:20 +02:00
a15e931e78
Update README.md
2020-06-15 15:47:34 +02:00
285f9b0e51
Update README.md
2020-06-15 15:24:17 +02:00
4780f6a0d3
Update README.md
2020-06-15 15:23:06 +02:00
d3c3dc4171
Update README.md
2020-06-15 14:54:31 +02:00
Caubet Serrabou Marc
6d5ad48949
Added Gromacs 2020.2
2020-05-19 17:13:57 +02:00
664e5159b5
hdf5: cleanup variants
2020-04-02 10:24:04 +02:00
71a17c62eb
parmetis: 4.0.3 variant with gcc/7.4.0 and openmpi/3.1.4 added
2020-04-02 09:43:08 +02:00
4e2620db5b
hdf5: cleanup variants
2020-04-02 08:53:34 +02:00
400b226fb7
dks: variants.rhel6 cleanup
2019-11-05 17:24:55 +01:00
46f8ea5775
dks: variants for 1.1.2 added
2019-11-05 17:22:52 +01:00
a08569a2be
boost: variant for 1.70.0 with gcc/7.4.0 openmpi/3.1.4 added
2019-11-05 17:15:21 +01:00
99c5fa3b7c
boost: 1.70.0 with gcc/7.3.0, openmpi/3.1.3 released as stable
2019-11-05 17:06:26 +01:00
303f1f18f7
amrex: cleanup release states
2019-11-05 16:52:06 +01:00
86c8b60be4
amrex: variants for 18.07_{2,3}d with gcc/7.4.0 and openmpi/3.1.4 added
2019-11-05 16:47:29 +01:00
edba6f5d0c
Merge branch 'master' of gitlab.psi.ch:Pmodules/buildblocks
2019-11-04 15:36:00 +01:00
78c106599c
issue templates reviewed
2019-11-04 15:35:09 +01:00
b0472c9320
Merge branch 'fftw' into 'master'
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Deploy fftw/3.3.8-1
See merge request Pmodules/buildblocks!33
2019-09-26 16:32:27 +02:00
5039cb6118
Merge branch 'gromacs_gpu' into 'master'
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Gromacs gpu
See merge request Pmodules/buildblocks!32
2019-09-26 13:29:25 +02:00
Caubet Serrabou Marc
e82f6f6359
Moved gromacs and java to stable
2019-09-26 10:00:00 +02:00
daca3d9cee
elpa: 2019.05.001{_omp} released as stable
2019-09-23 18:36:13 +02:00
ff7a127090
elpa: build-block added
2019-09-23 18:33:58 +02:00
Spencer Bliven
99f2c8159e
Create initial NAMD/2.13 module
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The binary build lives in Tools/NAMD; the source build will be
in MPI/NAMD.
2019-09-19 11:30:09 +02:00
f7ebd19625
OPAL: version 2.0.2 released for RHEL6
2019-09-12 17:49:19 +02:00
6291e00cf6
OPAL: variants file for Linux/RHEL6 cleaned up
2019-09-12 17:32:06 +02:00
477abecd3f
boost: cleanup of variants files
2019-09-12 17:09:04 +02:00
9cd88bd9c5
boost: build-script reviewed
2019-09-12 16:57:44 +02:00
449a04e5ec
boost: variants renamed to variants.rhel6
2019-09-12 16:56:49 +02:00
Spencer Bliven
ebf05cf819
Deploy fftw/3.3.8-1
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- Single (sp) and double precision (dp) variants based on the use flags
- Add merlin & merlin6 flags to indicate that the software depends on
merlin-specific architecture features (SSE and AVX)
- Depend on most recent OpenMPI compiled for merlin5/merlin6
2019-08-28 16:43:03 +02:00
Caubet Serrabou Marc
154daf6890
Added Gromacs 2019 with GPU support
2019-08-28 14:21:56 +02:00
a3b24b934e
lammps using openmpi compiled for merlin6
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- based on stable_7Aug2019.tar.gz
2019-08-27 10:02:31 +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
