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'
...
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'
...
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
...
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
...
- 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
...
- 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
b5d8a0feb1
MPI/dks: variant added for newer open-mpi and cuda
2019-07-12 12:03:54 +02:00
5a846868a7
MPI/dks: rewrote build-script
2019-07-12 12:03:12 +02:00
e44ae11c70
Reinstall fftw into MPI category
...
- Minor Updates based on Achim's suggestions.
2019-04-09 14:51:32 +02:00
80c0f57986
Move fftw to MPI category
2019-04-09 14:38:53 +02:00
177455fcb0
MPI/hdf5: releases reviewed
2019-03-11 11:38:55 +01:00
Caubet Serrabou Marc
008f79a1bf
LAMMPS moved to stable
2019-01-22 13:47:39 +01:00
e190a7751f
MPI/OPAL: variant OPAL/1.4.0rc1 removed
2019-01-21 17:06:58 +01:00
705d5034ba
MPI/parametis fixes and new versions/variante
...
- build-script reviewed
- variants for gcc/73.0 and openmpi/3.1.3, mpich/3.3 added
2019-01-17 14:14:18 +01:00
7e51d8de14
MPI/hdf5: bugfix in build-script
2019-01-17 14:11:57 +01:00
64f90d7ddd
MPI/hdf5: version 1.8.20 added with various compiler MPI combinations
2019-01-17 14:11:35 +01:00
5ff9ee5021
MPI/hdf5: version 1.10.4 added with various gcc versions, openmpi/3.1.3 and mpich/3.3
2019-01-17 14:10:46 +01:00
ac87ed23c6
MPI/hdf5: version 1.10.4 with gcc/7.3.0, openmpi/3.1.3 for macOS added
2019-01-17 14:09:32 +01:00
9ddcbfd23a
MPI/boost: version 1.68.0 added build without Python
2019-01-17 13:55:38 +01:00
977f6ca911
MPI/amrex: added
2019-01-17 13:55:07 +01:00
5e57fdf370
MPI/boost: build without Python, patch required for macOS and GCC added
2019-01-17 13:53:34 +01:00
51e38ec9dc
MPI/OPAL: set release of old release candidates to deprecated
2019-01-17 12:08:31 +01:00
gsell
b52f4f1e30
MPI/OPAL: consolidate variants files
2019-01-17 12:01:37 +01:00
Caubet Serrabou Marc
1a8cae91b6
Added package KSPACE for LAMMPS
2018-11-29 16:23:21 +01:00
Caubet Serrabou Marc
969dab3d53
Added Quantum Espresso
2018-11-28 11:47:10 +01:00
Caubet Serrabou Marc
fb8eca99c8
Added qe/6.3 Quantum Espresso
2018-11-23 16:27:43 +01:00
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
27158e5123
MPI/hdf5: call to 'pbuild::make_all()' removed in build-scripts
2018-10-16 10:10:06 +02:00
