Commit Graph

115 Commits

Author SHA1 Message Date
ddb6bb2cfb adjust to include new build of gcc/musl cross-compiler 2025-06-04 09:57:14 -04:00
c9f41f9d90 explain more steps of the release process related to building packages 2025-02-06 20:55:11 -05:00
5115df7a38 avoid legacy compilation failures on recent ubuntu machines that only have python3-config 2023-08-12 12:45:01 -04:00
9f11cac393 updated apptainer build definitions for almalinux 8/9 2023-04-24 20:41:06 -04:00
3950765e8f Add missing hipfft-dev to ROCm containers 2023-04-06 22:44:07 -06:00
ea7e75798d include an additional latex package and an nsis plugin for building everything 2023-03-29 11:58:05 -04:00
21293f1c08 update links and hashes for new plumed2 releases 2023-03-13 12:10:41 -04:00
6c5c93438c update for ROCm 5.4.3 and CUDA 12.0 2023-02-21 15:00:48 -05:00
401b5cee6d add -y flag to add-repository commands to avoid issues with GPG support changes 2022-11-07 07:32:08 -05:00
1e2ffe6cb7 must bootstrap centos 7 from dockerhub now 2022-10-22 22:58:16 -04:00
7aea2b8840 update Plumed download to version 2.8.1 2022-10-22 22:57:53 -04:00
05cf15b766 include clang-format 2022-10-12 12:31:43 -04:00
c235cbee71 sync with lammps-testing and update plumed version consistently. 2022-09-11 01:07:22 -04:00
e9f0f371b8 update prompt variable 2022-09-10 21:05:02 -04:00
b86232ac5b add container definition for almalinux 9 2022-09-10 21:00:14 -04:00
68a9db0950 fix typos 2022-06-08 17:07:08 -04:00
7769a8e0de update ROCm to version 5.1.3 consistently 2022-06-08 12:18:17 -04:00
55fdb7f12a update GPU container definitions for CUDA 11.7 and singularity -> apptainer 2022-06-08 08:19:54 -04:00
3ee209d031 update singularity definition for ubuntu22.04LTS
This now has the changes required to include the openkim-api package
2022-05-25 06:35:08 -04:00
44f3ad5620 update singularity image descriptions for newer versions of cuda and rocm 2022-05-15 08:11:50 -04:00
8679266db8 add container definitions for Fedora 36 and Ubuntu 22.04LTS 2022-04-25 13:05:43 -04:00
b7a3af7bd1 update plumed version in containers and install python3-venv 2022-04-21 12:01:49 -04:00
257805d325 make prompt name consistent 2022-02-25 09:32:41 -05:00
59e2b819e0 need python3-venv package for updated make install-python 2022-02-25 08:44:15 -05:00
698256f4fe update fedora singularity image to Fedora 35 2022-01-12 08:17:54 -05:00
c03cdfdf60 Add libyaml-cpp dev package 2021-12-01 14:00:08 -05:00
195455faa8 Update GPU and NVIDIA container definitions 2021-12-01 13:48:54 -05:00
e75312ddf6 Update ROCm containers to v4.5.0 2021-12-01 13:24:07 -05:00
ff919af3ef Update container bundled PLUMED to v2.7.3 2021-12-01 11:39:05 -05:00
e0770a2ac0 Add Ubuntu 20.04 OneAPI container definition 2021-12-01 10:41:01 -05:00
175f967051 change references to git:// protocol for accessing github to https:// 2021-11-02 14:25:57 -04:00
6e54295b38 pre-built singularity images have been removed due to lack of interest 2021-10-04 11:34:28 -04:00
ea030c6dd8 Merge branch 'master' into collected-small-changes 2021-09-26 18:12:40 -04:00
9df8a12235 include zstd libs in windows build 2021-09-25 15:18:14 -04:00
f9cd6a384b Add Rocky Linux 8 container definition 2021-09-09 10:45:30 -04:00
8da122c6a4 RHEL8/CentOS8 PowerTools is now powertools 2021-09-09 10:31:17 -04:00
5c1fa54750 Update more definition files 2021-09-08 18:11:40 -04:00
d5f70ed347 Update container definitions to include PLUMED 2.7.2 2021-09-08 17:43:12 -04:00
9fb29b165d Update CUDA container definitions to CUDA 11.4 2021-09-08 17:40:48 -04:00
b74a32c1e3 Update Singularity definitions to use ROCm 4.3 2021-09-08 16:07:54 -04:00
8db2d64f11 Updates to support ROCm 4.3 in GPU package 2021-08-31 17:56:01 -04:00
0ee6cf798c include cythonize for building MLIAP with Python support 2021-06-06 18:25:47 -04:00
56b9de1d6b Merge remote-tracking branch 'github/master' into collected-small-changes 2021-06-04 11:38:31 -04:00
4a8b460201 update singularity container definition file for Fedora 34 2021-06-03 14:04:59 -04:00
7e05c6f8fd Update ROCm container defintiion and add missing lib path 2021-06-02 14:40:37 -04:00
160f2cc630 Update ROCm container definitions 2021-04-02 16:11:23 -04:00
14f691f0af Add support for NVIDIA OpenCL in Ubuntu gpu containers 2020-11-30 14:46:24 -05:00
865b159d16 update singularity definitions for readline 6/7 to have a pkg-config file 2020-10-14 15:06:57 -04:00
362fe700a5 remove static libraries for cross-compiler. not used with .dll version. 2020-10-09 13:26:52 -04:00
7a9b4ef0d4 include FFTW in MinGW cross-compiler libraries. Make static/dynamic explicit 2020-10-09 02:27:31 -04:00