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b5a0300933dc6dc38449954247a39d18ff9ad22a
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Author SHA1 Message Date
Spencer Bliven
b5a0300933 Add relion build script. 
Builds from source based on git.

Currently only gcc/7.4.0 is used. Better performance is reported with
intel icc and MKL, but this would require additional openmpi variants.

Variants for 3.0.8 and 3.1-beta (780dd7b) are installed.
 2019-10-24 16:03:36 +02:00
bliven_s
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
caubet_m
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
81e7fe8afc Added Java in stable repo, was in unstable for some time 2019-09-26 10:12:52 +02:00
Caubet Serrabou Marc
e82f6f6359 Moved gromacs and java to stable 2019-09-26 10:00:00 +02:00
gsell
a0c3405904 Merge branch '52-libxc-fix-permissions-of-build-script' into 'master' 
Resolve "libxc: fix permissions of build script"

Closes #52

See merge request Pmodules/buildblocks!61
 2019-09-24 10:14:05 +02:00
Achim Gsell
4d44dee500 libxc: permissions of build-script fixed 2019-09-24 10:14:14 +02:00
gsell
8a69b51744 Merge branch '46-elpa-new-build-block' into 'master' 
Resolve "elpa: new build-block"

Closes #46

See merge request Pmodules/buildblocks!57
 2019-09-23 18:37:25 +02:00
gsell
1edc26cbc8 Merge branch 'master' into '46-elpa-new-build-block' 
# Conflicts:
#   MPI/elpa/files/variants.rhel6
 2019-09-23 18:36:52 +02:00
Achim Gsell
daca3d9cee elpa: 2019.05.001{_omp} released as stable 2019-09-23 18:36:13 +02:00
Achim Gsell
ff7a127090 elpa: build-block added 2019-09-23 18:33:58 +02:00
gsell
e52156f639 Merge branch '45-libint-new-build-block' into 'master' 
Resolve "libint: new build-block"

Closes #45

See merge request Pmodules/buildblocks!54
 2019-09-23 18:23:36 +02:00
Achim Gsell
31b61d9eba libint-lmax6: 2.6.0 released as stable 2019-09-23 18:23:38 +02:00
gsell
979e96d2d1 Merge branch '44-libxsmm-new-build-block' into 'master' 
Resolve "libxsmm: new build-block"

Closes #44

See merge request Pmodules/buildblocks!55
 2019-09-23 18:21:30 +02:00
Achim Gsell
73ef61a279 libxsmm: 1.13 released as stable 2019-09-23 18:21:29 +02:00
gsell
4f64713b79 Merge branch '39-libxc-new-build-block' into 'master' 
Resolve "libxc: new build-block"

Closes #39

See merge request Pmodules/buildblocks!50
 2019-09-23 18:19:31 +02:00
Achim Gsell
0822d517fd libxc: 4.3.4 released as stable 2019-09-23 18:18:41 +02:00
gsell
025cde12bc Merge branch '51-cuda-release-versions-as-stable-2' into 'master' 
Resolve "cuda: release versions as stable"

Closes #51

See merge request Pmodules/buildblocks!60
 2019-09-20 17:25:46 +02:00
Achim Gsell
c00898e715 cuda: released all available versions as stable 2019-09-20 17:25:54 +02:00
gsell
fdfdfd0c20 Merge branch '51-cuda-release-versions-as-stable' into 'master' 
Resolve "cuda: release versions as stable"

Closes #51

See merge request Pmodules/buildblocks!59
 2019-09-20 17:12:02 +02:00
Achim Gsell
4b6c16f988 cuda: released all available versions as stable 2019-09-20 17:11:59 +02:00
Achim Gsell
b3e7609c1c elpa: new build-block added 2019-09-20 16:56:54 +02:00
gsell
7ad01230e5 Merge branch '50-impi-new-build-block-for-impi' into 'master' 
Resolve "impi: new build-block for impi"

Closes #50

See merge request Pmodules/buildblocks!56
 2019-09-20 16:52:40 +02:00
Achim Gsell
c355e201eb impi: new build-block added 2019-09-20 16:52:41 +02:00
Achim Gsell
6eb45fb08c libxsmm: new build-block added 2019-09-20 16:48:47 +02:00
Achim Gsell
3eebd00aff libint: new build-block added 2019-09-20 16:46:36 +02:00
Achim Gsell
d3cbd35bc1 libxc: new build-block added 2019-09-20 16:42:51 +02:00
gsell
3aec4389ba Merge branch '49-gel-new-variant-version-2-5-with-intel-19-4' into 'master' 
Resolve "gsl: new variant: version 2.5 with intel/19.4 for RHEL6"

Closes #49

See merge request Pmodules/buildblocks!53
 2019-09-20 16:32:48 +02:00
Achim Gsell
e72e11b637 gsl: new variant for version 2.5 with intel/19.4 added 2019-09-20 16:28:47 +02:00
gsell
bb195ef2bb Merge branch '48-gnuplot-new-versions-5-2-6-5-2-7' into 'master' 
Resolve "gnuplot: new versions 5.2.6, 5.2.7"

Closes #48

See merge request Pmodules/buildblocks!52
 2019-09-20 16:24:43 +02:00
Achim Gsell
8f67078cdb gnuplot: version 5.2.7 added 
- versions 5.2.6 and 5.2.7 released as stable
 2019-09-20 16:23:48 +02:00
Achim Gsell
e4df57e0fb gnuplot: disable LateX and Qt 2019-09-20 16:22:55 +02:00
bliven_s
b43a57c65f Merge branch 'namd' into 'master' 
Add NAMD module

See merge request Pmodules/buildblocks!51
 2019-09-19 15:41:39 +02:00
Spencer Bliven
6f9adf7fb3 Add NAMD/2.13_gpu variant 
Switched the non-gpu variant to the non-cuda version
 2019-09-19 15:30:57 +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
gsell
f2204e4fc3 Merge branch '43-opal-release-version-2-0-2-for-linux-as-stable' into 'master' 
Resolve "OPAL: release version 2.0.2 for Linux as stable"

Closes #43

See merge request Pmodules/buildblocks!49
 2019-09-12 17:49:21 +02:00
Achim Gsell
f7ebd19625 OPAL: version 2.0.2 released for RHEL6 2019-09-12 17:49:19 +02:00
gsell
398dc99efe Merge branch '42-opal-cleanup-variants-for-linux-rhel6' into 'master' 
Resolve "OPAL: cleanup variants for Linux/RHEL6"

Closes #42

See merge request Pmodules/buildblocks!48
 2019-09-12 17:32:30 +02:00
Achim Gsell
6291e00cf6 OPAL: variants file for Linux/RHEL6 cleaned up 2019-09-12 17:32:06 +02:00
gsell
ce4991f8ad Merge branch '41-boost-cleanup-variants-files-for-rhel6-and-macos10-14' into 'master' 
Resolve "boost: cleanup variants files for RHEL6 and macOS10.14"

Closes #41

See merge request Pmodules/buildblocks!47
 2019-09-12 17:09:05 +02:00
Achim Gsell
477abecd3f boost: cleanup of variants files 2019-09-12 17:09:04 +02:00
gsell
320448ecb0 Merge branch '37-boost-review-build-script' into 'master' 
Resolve "boost: review build script"

Closes #37

See merge request Pmodules/buildblocks!44
 2019-09-12 17:00:04 +02:00
Achim Gsell
9cd88bd9c5 boost: build-script reviewed 2019-09-12 16:57:44 +02:00
Achim Gsell
449a04e5ec boost: variants renamed to variants.rhel6 2019-09-12 16:56:49 +02:00
gsell
9fed243224 Merge branch '40-gcc-review-build-script-fix-to-compile-gcc-8-3-0-on-macos' into 'master' 
Resolve "gcc: review build script, fix to compile gcc 8.3.0 on macOS"

Closes #40

See merge request Pmodules/buildblocks!46
 2019-09-12 15:47:37 +02:00
Achim Gsell
36e52a43bc gcc: cleanup variants files for RHEL6 and macOS10.14 2019-09-12 15:46:51 +02:00
Achim Gsell
f290ac0b9b gcc: build-script reviewed 2019-09-12 15:35:01 +02:00
Achim Gsell
56cbc1923a gcc: patch for gcc 8 on macOS moved 2019-09-12 15:34:16 +02:00
gsell
7c649ed16b Merge branch '38-zlib-version-1-2-11-for-rhel6-and-macos10-14' into 'master' 
Resolve "zlib: version 1.2.11 for RHEL6 and macOS10.14"

Closes #38

See merge request Pmodules/buildblocks!45
 2019-09-10 13:57:39 +02:00
Achim Gsell
e37af655ca zlib: version 1.2.11 released as stable for RHEL6, macSO10.14 2019-09-10 13:57:12 +02:00