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257805d325
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make prompt name consistent
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2022-02-25 09:32:41 -05:00 |
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59e2b819e0
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need python3-venv package for updated make install-python
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2022-02-25 08:44:15 -05:00 |
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698256f4fe
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update fedora singularity image to Fedora 35
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2022-01-12 08:17:54 -05:00 |
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c03cdfdf60
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Add libyaml-cpp dev package
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2021-12-01 14:00:08 -05:00 |
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195455faa8
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Update GPU and NVIDIA container definitions
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2021-12-01 13:48:54 -05:00 |
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e75312ddf6
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Update ROCm containers to v4.5.0
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2021-12-01 13:24:07 -05:00 |
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ff919af3ef
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Update container bundled PLUMED to v2.7.3
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2021-12-01 11:39:05 -05:00 |
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e0770a2ac0
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Add Ubuntu 20.04 OneAPI container definition
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2021-12-01 10:41:01 -05:00 |
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175f967051
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change references to git:// protocol for accessing github to https://
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2021-11-02 14:25:57 -04:00 |
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6e54295b38
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pre-built singularity images have been removed due to lack of interest
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2021-10-04 11:34:28 -04:00 |
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ea030c6dd8
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Merge branch 'master' into collected-small-changes
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2021-09-26 18:12:40 -04:00 |
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9df8a12235
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include zstd libs in windows build
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2021-09-25 15:18:14 -04:00 |
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f9cd6a384b
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Add Rocky Linux 8 container definition
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2021-09-09 10:45:30 -04:00 |
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8da122c6a4
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RHEL8/CentOS8 PowerTools is now powertools
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2021-09-09 10:31:17 -04:00 |
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5c1fa54750
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Update more definition files
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2021-09-08 18:11:40 -04:00 |
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d5f70ed347
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Update container definitions to include PLUMED 2.7.2
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2021-09-08 17:43:12 -04:00 |
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9fb29b165d
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Update CUDA container definitions to CUDA 11.4
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2021-09-08 17:40:48 -04:00 |
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b74a32c1e3
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Update Singularity definitions to use ROCm 4.3
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2021-09-08 16:07:54 -04:00 |
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8db2d64f11
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Updates to support ROCm 4.3 in GPU package
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2021-08-31 17:56:01 -04:00 |
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0ee6cf798c
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include cythonize for building MLIAP with Python support
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2021-06-06 18:25:47 -04:00 |
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56b9de1d6b
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Merge remote-tracking branch 'github/master' into collected-small-changes
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2021-06-04 11:38:31 -04:00 |
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4a8b460201
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update singularity container definition file for Fedora 34
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2021-06-03 14:04:59 -04:00 |
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7e05c6f8fd
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Update ROCm container defintiion and add missing lib path
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2021-06-02 14:40:37 -04:00 |
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160f2cc630
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Update ROCm container definitions
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2021-04-02 16:11:23 -04:00 |
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14f691f0af
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Add support for NVIDIA OpenCL in Ubuntu gpu containers
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2020-11-30 14:46:24 -05:00 |
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865b159d16
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update singularity definitions for readline 6/7 to have a pkg-config file
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2020-10-14 15:06:57 -04:00 |
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362fe700a5
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remove static libraries for cross-compiler. not used with .dll version.
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2020-10-09 13:26:52 -04:00 |
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7a9b4ef0d4
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include FFTW in MinGW cross-compiler libraries. Make static/dynamic explicit
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2020-10-09 02:27:31 -04:00 |
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c08089c1a7
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add missing pkg-config file for readline
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2020-10-03 22:35:58 -04:00 |
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4520eef1b0
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include readline support to be ready for LAMMPS-Shell
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2020-10-03 22:05:52 -04:00 |
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b11b420b08
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small doc update for singularity
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2020-09-26 22:30:05 -04:00 |
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08270c3498
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update container descriptions
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2020-09-24 02:17:26 -04:00 |
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b878403aee
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update a few more singularity container definitions for doc build requirements
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2020-09-22 06:01:34 -04:00 |
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dfd447f570
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Add missing tools for PDF index build to containers
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2020-09-19 23:07:24 -04:00 |
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6a40eba2ae
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Add Ubuntu 20.04 Intel OpenCL container
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2020-09-04 15:03:53 -04:00 |
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da0e60c173
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Apply changes to remaining containers
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2020-09-04 14:43:03 -04:00 |
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f6abdf97c4
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Remove -j in distribution container files
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2020-09-04 14:28:03 -04:00 |
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41a1c96e06
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Update other GPU containers
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2020-09-04 14:19:41 -04:00 |
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3bdfbdcf09
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Update Ubuntu 18.04 GPU container and add Ubuntu 20.04
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2020-09-04 14:06:38 -04:00 |
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60d25c2eea
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Update Ubuntu 20.04 container
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2020-09-04 11:54:08 -04:00 |
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598819229b
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Fix missing OpenKIM models for testing due to KIM-API packaging
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2020-09-04 11:47:38 -04:00 |
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64d3be27a6
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Add zstd to containers
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2020-09-04 11:46:40 -04:00 |
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7ea4177626
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Set Plumed version to 2.6.1
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2020-09-04 11:41:44 -04:00 |
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0f094c2501
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Add PyYAML to Fedora 32 container
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2020-06-30 10:05:14 -04:00 |
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af2e1bf7c6
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Update Ubuntu 18.04 GPU container
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2020-06-30 09:38:28 -04:00 |
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f9a202288c
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Add missing kmod package to AMD ROCm container
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2020-06-26 13:09:16 -04:00 |
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e6b3611c2d
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Update ROCm container to version 3.5
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2020-06-25 19:05:28 -04:00 |
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e006286603
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rather than forcing tcp communication for OpenMPI, we disable infiniband instead for better stability of tests
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2020-06-13 01:40:53 -04:00 |
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016629252d
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a few more tweaks needed for centos8 and fedora32
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2020-06-08 19:18:01 -04:00 |
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ac85071bc4
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need one more step with ubuntu to allow enabling PPA repos
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2020-06-08 16:08:03 -04:00 |
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