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5115df7a38
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avoid legacy compilation failures on recent ubuntu machines that only have python3-config
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2023-08-12 12:45:01 -04:00 |
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21293f1c08
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update links and hashes for new plumed2 releases
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2023-03-13 12:10:41 -04:00 |
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401b5cee6d
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add -y flag to add-repository commands to avoid issues with GPG support changes
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2022-11-07 07:32:08 -05:00 |
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7aea2b8840
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update Plumed download to version 2.8.1
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2022-10-22 22:57:53 -04:00 |
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05cf15b766
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include clang-format
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2022-10-12 12:31:43 -04:00 |
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c235cbee71
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sync with lammps-testing and update plumed version consistently.
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2022-09-11 01:07:22 -04:00 |
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b7a3af7bd1
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update plumed version in containers and install python3-venv
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2022-04-21 12:01:49 -04:00 |
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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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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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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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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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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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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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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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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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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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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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2668e3deb6
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add manual installation of plumed library
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2020-06-08 14:39:34 -04:00 |
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a9d1932032
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update singularity definition files to include kim-api packages
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2020-06-07 16:11:26 -04:00 |
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5827f69da5
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OpenMPI's "sm" transport layer has gone from some newer versions. use "tcp" as lowest common denominator
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2020-05-19 20:25:53 -04:00 |
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eefeaf4d25
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make OpenMPI only use shared memory comm by default and silence some warnings
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2020-05-07 18:15:57 -04:00 |
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d7650e8e02
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no need to include googletest libs, we download and compile internally
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2020-05-07 17:02:04 -04:00 |
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4dce25d89e
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update some defitions files and also include hack to indicate image type in prompt
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2020-05-06 15:07:02 -04:00 |
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db71b3b994
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update singularity image defitions to include gtest and libyaml. drop f30
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2020-05-06 00:02:04 -04:00 |
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002c49737f
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update definition for ubuntu20.04
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2020-04-29 22:58:08 -04:00 |
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9f923c51f8
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update singularity definition files for ubuntu variants to enable more LAMMPS build options and features
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2020-04-21 12:07:34 -04:00 |
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fa0cc2c217
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update singularity definition files
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2020-04-11 21:36:08 -04:00 |
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e53e443e21
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add singularity description file for Ubuntu 20.04 LTS
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2020-04-02 21:52:20 -04:00 |
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