5233ffd6e6
Release Alphafold 2.0.1
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- Improves the build system to install the submission scripts in bin
- Add README
2021-10-08 20:57:18 +02:00
e736e4aedc
added ray_py38 environment for Adelmann
2021-05-17 15:24:35 +02:00
679b02118d
Add conda mxarchive environment
2021-03-24 10:28:20 +01:00
275f8e4572
Making anaconda 2019.07 stable
2020-10-29 09:30:21 +01:00
6d5404c2fb
Merge branch 'topaz' into 'master'
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Add new 'topaz' environment for EM
See merge request Pmodules/buildblocks!129
2020-10-29 09:08:08 +01:00
f695b5b640
Merge branch 'conda-setup' into 'master'
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Reverting bad conda_setup script
See merge request Pmodules/buildblocks!130
2020-10-29 08:56:23 +01:00
414a46ff76
committed initially forgotten kernelwrapper and log scripts
2020-10-29 08:06:45 +01:00
Spencer Bliven
1668e1d3fa
Reverting bad conda_setup script
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This broke anaconda because the CONDA_PREFIX is not defined.
Better to setup conda directly in the modulefile.
2020-10-28 11:22:19 +01:00
792a562c57
Add new 'topaz' environment for EM
2020-10-27 11:48:05 +01:00
2ed35423d2
Update anaconda README.md with information on logging
2020-10-19 10:58:43 +02:00
348773f996
hep_root conda env implemented for Alexander Skawran
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late commit of implementation from Feb 2020
2020-10-16 22:50:25 +02:00
c83c2a5ca7
Tool to install jupyter kernel wrapper for a conda env
2020-10-16 18:16:18 +02:00
d75a0ca76d
added access permission info to anaconda documentation
2020-10-15 16:33:33 +02:00
0b438a9d2e
Add scicat_client to the datacatalog module.
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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
b987afe195
Add some python dev tools to hpce-tools
2020-08-07 13:11:59 +02:00
308fd1c890
CrYOLO/1.6.1 modules
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There are _cpu and _gpu flags available, which are selected based on
fancy modulefile code (Thanks Achim)
2020-07-15 16:57:12 +02:00
Spencer Bliven
67c09995ae
Document crYOLO/1.5.6_gpu build process
2020-03-30 14:43:13 +02:00
Spencer Bliven
69e45392e8
Add hdf5storage to datascience_* environments
2020-02-11 10:16:26 +01:00
Spencer Bliven
17c5710576
Update cryocare environment to work on GPU
2020-02-06 16:06:54 +01:00
Spencer Bliven
ef424233ef
Add warning in modulefile for admins
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Loading anaconda as an admin on an Auristor system produces a
reminder not to install anything
2020-01-09 14:28:58 +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
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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
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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
c165270914
Check in older anaconda versions.
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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
389ea8acfe
fixing erroneous statement left from debugging
2019-09-09 17:22:57 +02:00
9e2060c297
implement PATH cleaning in pure bash
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one should not mix tcl cleaning with bash fragments written to
stdout, if the modify the same state variables.
2019-09-09 17:08:05 +02:00
ba7f38d99d
bigger update of python environments for anaconda/2019.07
2019-09-04 16:25:21 +02:00
fee0460501
added chaospy on request by A. Adelmann
2019-09-03 12:07:08 +02:00
5148aaf596
removed dask from datascience_py36 due to errors
2019-09-03 12:06:13 +02:00
d0ebdc333d
test for conda and reload env if required
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needed for cleanup in subshells
2019-08-27 14:14:27 +02:00
e9d01a8a34
added environments for jupyterhub and tensorflow
2019-08-05 11:44:09 +02:00
ff62c5924b
new anaconda build and modulefile + conda repo structure
2019-07-26 15:13:36 +02:00
8ce24107fc
Update anaconda module
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- Update build script with best practices for variables, download
location, etc.
- Format modulefile info
- Activate base environment by default
- More robust unloading script
2019-04-08 17:00:22 +02:00
Spencer Bliven
f06815bd3d
Removing python installation from anaconda build script.
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This would be better done in dependent modules.
2019-04-01 13:41:14 +02:00
Spencer Bliven
3171ebcfda
Start anaconda build module
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Not currently tested pending AFS volume creation.
Derives from EM/crYOLO.
2019-03-28 10:25:49 +01:00
