0f094c2501
Add PyYAML to Fedora 32 container
2020-06-30 10:05:14 -04:00
e006286603
rather than forcing tcp communication for OpenMPI, we disable infiniband instead for better stability of tests
2020-06-13 01:40:53 -04:00
016629252d
a few more tweaks needed for centos8 and fedora32
2020-06-08 19:18:01 -04:00
2668e3deb6
add manual installation of plumed library
2020-06-08 14:39:34 -04:00
a9d1932032
update singularity definition files to include kim-api packages
2020-06-07 16:11:26 -04:00
5827f69da5
OpenMPI's "sm" transport layer has gone from some newer versions. use "tcp" as lowest common denominator
2020-05-19 20:25:53 -04:00
eefeaf4d25
make OpenMPI only use shared memory comm by default and silence some warnings
2020-05-07 18:15:57 -04:00
d7650e8e02
no need to include googletest libs, we download and compile internally
2020-05-07 17:02:04 -04:00
4dce25d89e
update some defitions files and also include hack to indicate image type in prompt
2020-05-06 15:07:02 -04:00
db71b3b994
update singularity image defitions to include gtest and libyaml. drop f30
2020-05-06 00:02:04 -04:00
d9e0bc5d94
Add missing packages for legacy build
2020-05-01 05:55:03 -04:00
e97bf005cb
include hdf5 and netcdf in more images
2020-04-29 22:36:33 -04:00
633651fa56
Add valgrind, gdb to containers and clean caches
2020-04-29 17:32:19 -04:00
8235c48f49
Avoid errors due to host Lmod in containers
...
These changes ensure that environment variables that are automatically passed
to the container don't interfere with Lmod inside of the container. The previous
implementation would not take care of sticky packages from the outside and Lmod
would try to reload them.
Note that Lmod defines the 'module' bash function, which doesn't propagate to
the final shell when using 'singularity shell'. If the 'module' command is needed
a login shell needs to be launched:
$ singularity exec <CONTAINER> bash -l
2020-04-29 17:01:55 -04:00
867088dbd8
add packages to also allow a regular build not just cross-compilation
2020-04-28 01:12:31 -04:00
fa0cc2c217
update singularity definition files
2020-04-11 21:36:08 -04:00
