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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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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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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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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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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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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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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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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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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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f9ba4b497f
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Use ccache on Ubuntu by default
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2020-05-01 08:01:17 -04:00 |
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e97bf005cb
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include hdf5 and netcdf in more images
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2020-04-29 22:36:33 -04:00 |
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633651fa56
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Add valgrind, gdb to containers and clean caches
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2020-04-29 17:32:19 -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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d4fbeccb2b
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add latex support
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2020-04-02 19:40:29 -04:00 |
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dbdce3946b
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Update/Sync singularity container definition for Ubuntu 18.04
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2020-04-01 16:35:00 -04:00 |
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5200d60dd3
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update singularity definition files
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2019-10-21 11:29:08 +02:00 |
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e4bbfc992b
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Singularity definition files for compiling LAMMPS
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2019-10-15 16:22:08 +02:00 |
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