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Author SHA1 Message Date
caubet_m
002f6bbd30 Merge branch 'lammps' into 'master' 
Lammps

See merge request Pmodules/buildblocks!119
 2020-09-18 13:07:00 +02:00
caubet_m
d2539cb185 Merge branch 'gromacs' into 'master' 
Added Gromacs 2020.2

See merge request Pmodules/buildblocks!90
 2020-09-18 13:06:37 +02:00
caubet_m
2a9f473ba8 Merge branch 'cuda-10.1' into 'master' 
cuda/10.1.105

See merge request Pmodules/buildblocks!117
 2020-09-18 13:06:05 +02:00
caubet_m
f02affd6c6 Merge branch 'qe' into 'master' 
Update QE: 6.5

See merge request Pmodules/buildblocks!116
 2020-09-18 13:05:52 +02:00
caubet_m
9b505c6bcd Merge branch 'openmpi_slurm' into 'master' 
OpenMPI slurm series

See merge request Pmodules/buildblocks!91
 2020-09-18 13:05:22 +02:00
caubet_m
5352d620fd Merge branch 'master' into 'openmpi_slurm' 
# Conflicts:
#   Compiler/openmpi/modulefile
 2020-09-18 13:05:12 +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
bliven_s
a454593f55 Merge branch 'anaconda' into 'master' 
Add scicat_client to the datacatalog module

See merge request Pmodules/buildblocks!118
 2020-08-07 23:11:53 +02:00
Spencer Bliven
0b438a9d2e Add scicat_client to the datacatalog module. 
The script is based off the scicat_client-0.1.0 anaconda environment.
Conda does not need to be activated to run, so the pmodule simple
symlinks the entrypoint to the module bin.
 2020-08-07 23:07:30 +02:00
Spencer Bliven
b987afe195 Add some python dev tools to hpce-tools 2020-08-07 13:11:59 +02:00
Caubet Serrabou Marc
81b32a2c70 cuda/10.1.105 2020-07-30 16:47:58 +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
gsell
ce5122a2b2 Merge branch '92-gnuplot-5-2-8-build' into 'master' 
Resolve "gnuplot/5.2.8 build"

Closes #92

See merge request Pmodules/buildblocks!115
 2020-07-17 11:51:56 +02:00
Achim Gsell
0eb1f32f3c gnuplot/5.2.8: build module 2020-07-17 11:51:11 +02:00
gsell
61dcff579b Merge branch '93-emacs-26-3' into 'master' 
Resolve "emacs/26.3"

Closes #93

See merge request Pmodules/buildblocks!114
 2020-07-17 11:49:17 +02:00
Achim Gsell
e749e9f633 emacs/26.3: build module 2020-07-17 11:47:53 +02:00
gsell
1081df77a1 Merge branch '90-emacs-fix-in-build-script' into 'master' 
Resolve "emacs fix in build-script"

Closes #90

See merge request Pmodules/buildblocks!112
 2020-07-17 11:44:52 +02:00
Achim Gsell
174cda266c emacs: fix in build-script 
- pbuild::make_all must not be called
 2020-07-17 11:43:54 +02:00
gsell
4645254fe1 Merge branch '89-python-2-7-18-python-3-8-4-build-modules' into 'master' 
Resolve "Python/{2.7.18,3.7.8,3.8.4}: build modules"

Closes #89

See merge request Pmodules/buildblocks!113
 2020-07-17 11:42:01 +02:00
Achim Gsell
ba6f2334bb Python/{3.7.8,3.8.4}: modules build 2020-07-17 11:40:54 +02:00
gsell
c215a3bb11 Merge branch '88-fixes-in-python-build-script' into 'master' 
Resolve "fixes in Python build-script"

Closes #88

See merge request Pmodules/buildblocks!111
 2020-07-17 11:36:05 +02:00
Achim Gsell
b5e65bc125 Python: fixes in build script 
- prepend to PATH and LD_LIBRARY_PATH not append
- set CFLAFS too (same as CPPFLAFS)
 2020-07-17 11:33:45 +02:00
Achim Gsell
45f7cd3189 Python: newer version of include pip 
- no need to run get-pip.py
 2020-07-17 10:03:24 +02:00
gsell
8249d1068d Merge branch '87-openssl-1-1-1g-build' into 'master' 
Resolve "openssl/1.1.1g build"

Closes #87

See merge request Pmodules/buildblocks!110
 2020-07-16 17:20:09 +02:00
Achim Gsell
40a24127d0 openssl/1.1.1g module build 2020-07-16 17:19:52 +02:00
Caubet Serrabou Marc
b2dc06e2df Changes in OpenMPI 2020-07-16 17:05:19 +02:00
gsell
2ef5032e8b Merge branch '86-parmetis-4-0-3-build-with-current-gccs-and-openmpi' into 'master' 
Resolve "parmetis/4.0.3: build with current GCCs and openmpi"

Closes #86

See merge request Pmodules/buildblocks!109
 2020-07-16 16:49:34 +02:00
Achim Gsell
899dfdfcb0 parmetis/4.0.3 module build for rhel6 and merlin6 with current GCCs and opemmpi 2020-07-16 16:48:17 +02:00
gsell
667e522ef9 Merge branch '85-hdf5-1-10-6-build-with-current-gccs-and-openmpi-for-rhel6-and-merlin6' into 'master' 
Resolve "hdf5/1.10.6: build with current GCCs and openmpi for rhel6 and merlin6"

Closes #85

See merge request Pmodules/buildblocks!108
 2020-07-16 16:44:48 +02:00
Achim Gsell
e06914aa36 hdf5/1.10.6 module build for rhel6 and merlin6 2020-07-16 16:44:19 +02:00
bliven_s
4f0c84bdaa Merge branch 'relion' into 'master' 
Add relion 3.1.0

See merge request Pmodules/buildblocks!107
 2020-07-16 16:14:40 +02:00
gsell
40e30c1a44 Merge branch '84-elegant-2020-2-0-build-module-review-build-block' into 'master' 
Resolve "elegant/2020.2.0: build module, review build-block"

Closes #84

See merge request Pmodules/buildblocks!106
 2020-07-16 16:13:45 +02:00
Spencer Bliven
075f98cd20 Add relion 3.1.0 2020-07-16 16:13:21 +02:00
Achim Gsell
7e8ed1b740 elegant/2020.2.0: module build 2020-07-16 16:13:18 +02:00
gsell
f1d59fa46f Merge branch '83-boost-1-7-03-0-build-modules' into 'master' 
Resolve "boost/1.7[03].0: build modules"

Closes #83

See merge request Pmodules/buildblocks!105
 2020-07-16 15:49:54 +02:00
Achim Gsell
f87d02aef6 boost/1.~7[03].0: build with current GCCs and openmpi 2020-07-16 15:49:34 +02:00
gsell
edd0ebf55f Merge branch '82-amex-18-05_3d-build-with-current-gccs-and-openmpi' into 'master' 
Resolve "amex/18.07_3d: build with current GCCs and openmpi"

Closes #82

See merge request Pmodules/buildblocks!104
 2020-07-16 15:43:45 +02:00
Achim Gsell
d1af65426b amrex/18.07_3d: build with current GCCs and openmpi for rhel6 and merlin6 2020-07-16 15:42:26 +02:00
gsell
817bf6e33a Merge branch '81-lapack-3-9-0-new-build-block' into 'master' 
Resolve "lapack/3.9.0: new build-block"

Closes #81

See merge request Pmodules/buildblocks!103
 2020-07-16 15:30:12 +02:00
Achim Gsell
f89bd777c9 lapack/3.9.0: new build-block added 2020-07-16 15:29:33 +02:00
gsell
26d449f63c Merge branch '80-trillions-12-18-1-build-modules' into 'master' 
Resolve "trillions/12.18.1: build modules"

Closes #80

See merge request Pmodules/buildblocks!102
 2020-07-16 15:14:38 +02:00
Achim Gsell
909a9d48d7 trilinos/12.18.1: module build, cleanup variants 2020-07-16 15:14:18 +02:00
gsell
92e325da8e Merge branch '79-h5hut-build-version-2-0-0rc6-for-current-gccs-openmpi-and-hdf5' into 'master' 
Resolve "H5hut: build version 2.0.0rc6 for current GCCs, openmpi and hdf5"

Closes #79

See merge request Pmodules/buildblocks!101
 2020-07-16 15:09:03 +02:00
Achim Gsell
1bb62ff14a H5hut/2.0.0rc6 build with current dependencies 2020-07-16 15:08:50 +02:00
gsell
1d9f56ca55 Merge branch '78-cleanup-h5hut' into 'master' 
Resolve "cleanup H5hut"

Closes #78

See merge request Pmodules/buildblocks!100
 2020-07-16 15:01:22 +02:00
Achim Gsell
ec15d8cf55 H5hut cleanup build-scripts and variants 2020-07-16 15:00:39 +02:00
gsell
40f0504724 Merge branch '77-build-openmpi-3-1-6' into 'master' 
Resolve "build openmpi/3.1.6"

Closes #77

See merge request Pmodules/buildblocks!99
 2020-07-16 14:46:42 +02:00