Commit Graph

1433 Commits

Author SHA1 Message Date
606f3cacaa Add MotionCor2 build script
Installation is highly manual. This documents the MotionCor2
installation procedure and automates shared file installation.

Adds 1.2.6 and 1.3.0 variants.
2019-12-03 17:14:37 +01:00
0e8e4e9e68 Merge branch '65-update-anaconda-envs-for-xlrd-jupytext-conda-build' into 'master'
Resolve "update anaconda envs for xlrd, jupytext, conda-build"

Closes #65

See merge request Pmodules/buildblocks!79
2019-11-07 15:31:24 +01:00
03cc1e648c adding xlrd to anaconda envs for pandas/excel compatibility 2019-11-07 11:19:35 +01:00
083a95b3af added conda-build to anaconda hpce-tools
We should be able to build our own anaconda packages in a centrally
provided environment.
2019-11-07 11:19:32 +01:00
4810bd4c7b added bayesian-optimization package to anaconda datascience_p37 env
on mail request by virginie.solans@psi.ch
2019-11-07 11:19:31 +01:00
f000f49893 added plotly and graphviz to anaconda datascience environments 2019-11-07 11:19:30 +01:00
7f3cee67da added jupytest plugin for jupyterhub 2019-11-07 11:19:29 +01:00
81381c98df Merge branch '64-dks-new-variants-for-1-1-2' into 'master'
Resolve "dks: new variants for 1.1.2"

Closes #64

See merge request Pmodules/buildblocks!78
2019-11-05 17:24:37 +01:00
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
831a187741 Merge branch '63-boost-build-1-70-0-with-gcc-7-4-0-openmpi-3-1-4' into 'master'
Resolve "boost: build 1.70.0 with gcc/7.4.0 openmpi/3.1.4"

Closes #63

See merge request Pmodules/buildblocks!77
2019-11-05 17:14:55 +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
38beb4b420 Merge branch '62-boost-release-1-70-0-with-gcc-7-3-0-openmpi-3-1-3-as-stable' into 'master'
Resolve "boost: release 1.70.0 with gcc/7.3.0, openmpi/3.1.3 as stable"

Closes #62

See merge request Pmodules/buildblocks!76
2019-11-05 17:08:09 +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
60531ebb42 Merge branch '61-amex-release-modules-as-stable' into 'master'
Resolve "amex: release modules as stable"

Closes #61

See merge request Pmodules/buildblocks!75
2019-11-05 16:51:33 +01:00
303f1f18f7 amrex: cleanup release states 2019-11-05 16:52:06 +01:00
b12485cc2f Merge branch '60-amex-build-18-07_-2-3-d-with-gcc-7-4-0-and-openmpi-3-1-4' into 'master'
Resolve "amex: build 18.07_{2,3}d with gcc/7.4.0 and openmpi/3.1.4"

Closes #60

See merge request Pmodules/buildblocks!74
2019-11-05 16:47:56 +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
5aff191839 Merge branch '59-openmpi-cleanup-variants-files' into 'master'
Resolve "openmpi: cleanup variants files"

Closes #59

See merge request Pmodules/buildblocks!73
2019-11-05 16:29:33 +01:00
b42387e900 openmpi: variants file for merlin6 added 2019-11-05 16:29:48 +01:00
e38397e11d openmpi: variants file for Linux renamed to variants.rhel6, cleanup, merlin specific stuff removed 2019-11-05 16:29:03 +01:00
b3f8d27702 Merge branch '58-openmpi-bugfixes-in-build-script' into 'master'
Resolve "openmpi: bugfixes in build-script"

Closes #58

See merge request Pmodules/buildblocks!72
2019-11-05 16:19:52 +01:00
a089d9a44f openmpi: use libuc[mpst] from module if not available on system 2019-11-05 16:19:21 +01:00
2c72327241 openmpi: bugfixs in build script 2019-11-05 16:17:21 +01:00
f88f30cf4e Merge branch 'anaconda' into 'master'
Update anaconda buildblock to latest deployment

See merge request Pmodules/buildblocks!65
2019-11-05 15:48:03 +01:00
c165270914 Check in older anaconda versions.
Version 2019.03 was an alpha version but got deployed. This updates it
to use the current modulefile.
2019-11-05 15:48:03 +01:00
186d4b6572 Merge branch 'relion' into 'master'
Add relion build script.

See merge request Pmodules/buildblocks!64
2019-11-05 15:47:53 +01:00
45310b1c21 Merge branch '57-gsl-build-version-2-6-with-current-gcc-versions' into 'master'
Resolve "gsl: build version 2.6 with current gcc versions"

Closes #57

See merge request Pmodules/buildblocks!71
2019-11-05 15:18:36 +01:00
9c9f645981 gsl: 2.6 with gcc/{7.4.0,8.3.0,9.1.0,9.2.0} added 2019-11-05 15:18:30 +01:00
945879e791 Merge branch '56-openblas-new-variants-for-version-0-3-7' into 'master'
Resolve "OpenBLAS: new variants for version 0.3.7"

Closes #56

See merge request Pmodules/buildblocks!70
2019-11-05 14:51:34 +01:00
0c409a7a96 OpenBLAS: version 0.3.7 with gcc/{7.4.0,8.3.0,9.2.0} added 2019-11-05 11:22:20 +01:00
17171b1b93 OpenBLAS: fix in post-install 2019-11-05 11:21:41 +01:00
e8cd9a3b3e OpenBLAS: variants file for macOS 10.14 added 2019-11-05 10:50:42 +01:00
093f70e947 Merge branch '55-gtest-build-new-variants-for-1-8-1-with-gcc-5-5-0-6-4-0-7-4-0-8-3-0-9-2-0' into 'master'
Resolve "gtest: build new variants for 1.8.1 with gcc/{5.5.0,6.4.0,7.4.0,8.3.0,9.2.0}"

Closes #55

See merge request Pmodules/buildblocks!69
2019-11-04 17:34:59 +01:00
bd58d5991e gtest: variants file for macOS 10.14 added 2019-11-04 17:34:17 +01:00
d7495479e9 gtest: variants for version 1.8.1 with gcc/{5.5.0,6.4.0,7.4.0,8.3.0,9.2.0} added 2019-11-04 17:33:34 +01:00
53586401e8 gtest: support for version 1.8.1 added 2019-11-04 17:32:34 +01:00
2f67d0fef7 Merge branch '54-isl-new-build-block' into 'master'
Resolve "isl: new build-block"

Closes #54

See merge request Pmodules/buildblocks!68
2019-11-04 17:16:15 +01:00
9db7388632 isl/0.21: released as stable 2019-11-04 17:16:01 +01:00
c4e7a41e1f isl: new build-block added 2019-11-04 17:15:28 +01:00
f71a0d4528 Merge branch '53-gcc-9-2-0-build-new-version' into 'master'
Resolve "gcc/9.2.0: build new version"

Closes #53

See merge request Pmodules/buildblocks!67
2019-11-04 16:57:51 +01:00
6041025cee gcc: version 9.2.0 released as stable 2019-11-04 16:57:28 +01:00
254b01dc19 gcc: build 9.2.0 with libisl 2019-11-04 16:51:57 +01:00
6ca141f29d gcc: do not build in source tree, cleanup 2019-11-04 16:50:09 +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
8190b0a6c2 Add Relion README.md 2019-10-24 16:14:33 +02:00
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
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