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
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
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- 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
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- 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
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
4fe07cd255
MPI/hdf5
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- some strange comments removed in build-script
2018-10-11 17:50:30 +02:00
dada9a1bd7
MPI/parmetis
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- build-script reviewed
- variant for version 3.2.0 with gcc/7.3.0, openmpi/3.0.1 added
- variants for version 4.0.3 with gcc/7.3.0, openmpi/3.0.1,3.1.2 added
2018-10-11 11:00:36 +02:00
7f40868341
MPI/lammps
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- build-script reviewed
2018-10-11 10:58:08 +02:00
3ea151daa4
MPI/hdf5
...
- build-script reviewed
2018-10-11 10:57:22 +02:00
faf7332598
MPI/hdf5
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- variant added for version 1.10.1 with pgi/18.5, pgi-mpi/18.5
- variant added for version 1.10.3 with gcc/7.3.0, openmpi/3.1.2
- variant added for version 1.10.3 with ntel/17.4, intel-mpi/17.4
2018-10-11 10:56:48 +02:00
4cb96ae9d5
MPI/hdf5
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- release all variants for Darwin as stable
2018-10-11 10:54:37 +02:00
874657977a
MPI/boost
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- added
2018-10-11 10:53:54 +02:00
9b5dba35f0
pcre, SuperLU_DIST
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- build-script reviewed
2018-10-11 10:52:40 +02:00
ca84474aac
pbuild::set_docfiles() renamed to pbuild::install_docfiles
2018-10-11 10:17:58 +02:00
a79bb9bc3e
- trilinos moved from group MPI to HDF5
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- OpenBLAS, mpich, CUDA variants files moved to 'files' directory
- obsolete 'config/versions.conf' removed
2018-10-11 10:07:24 +02:00
65047a7b8b
hdf5: added a variant for 1.10.1 with gcc/7.3.0 and openmpi/3.0.1 for Linux
2018-07-20 16:21:01 +02:00
c5e0f8bb79
'pbuild::build' has been renamed to 'pbuild::compile' in version 0.99.15
2018-07-11 17:37:51 +02:00
3502c7d7d5
Merge branch 'master' of gitlab.psi.ch:Pmodules/buildblocks
2018-07-11 10:51:32 +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
de671afc4f
Merge branch 'master' of gitlab.psi.ch:Pmodules/buildblocks
2018-07-09 14:09:37 +02:00
54586b75c8
hdf5/1.10.2 for openmpi/3.0.1 and gcc/7.3.0
2018-07-09 14:08:22 +02:00
7189810a8d
lammps-2018.3.tar.gz moved to repository Pmodules/download
2018-07-02 16:13:28 +02:00
58816415d1
changes merged
2018-07-02 13:19:17 +02:00
d5b59c1a96
lammps/build reviewed
2018-07-02 13:14:08 +02:00
4c760838f4
lammps/files/lammps-2018.3.tar.gz added
2018-07-02 13:07:39 +02:00
462b8d97cd
Update README.md
2018-05-15 15:33:59 +02:00
ff09d9f9d0
merger conflicts resolved
2018-05-15 11:25:42 +02:00
bead773bfa
elegant: typo in modulefile fixed
2018-05-15 11:21:27 +02:00
cf86827839
OPAL/build:
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- SOURCE_URL fixed
- enable DKS on version < 2 only
- gcc/7.3.0 as supported compiler added
2018-05-15 11:21:01 +02:00
