Closed tsmathis closed 9 months ago
Attention: 2 lines
in your changes are missing coverage. Please review.
Comparison is base (
1264493
) 78.91% compared to head (ea2f21b
) 91.29%. Report is 33 commits behind head on main.
Files | Patch % | Lines |
---|---|---|
emmet-core/emmet/core/vasp/calculation.py | 80.00% | 2 Missing :warning: |
:umbrella: View full report in Codecov by Sentry.
:loudspeaker: Have feedback on the report? Share it here.
This PR expands on the
backup
function of the emmet cli by:--check
flag remains unchanged, where the entire.tar
archive for a block launcher will be checked as a single unit and hard fail if the verification fails--exhaustive
flag that will check the validity of each individual launcher in the.tar
archive for a block and then only add launchers that pass verification into a "safe to remove" list which will then be cleaned up (ifclean
is active). This "soft fail" method 1) prevents--clean
ing of any launchers that fail verification, while 2) allowing verification/cleaning to continue for launchers that do pass. Common failures have been due to local file inconsistencies oncfs
, i.e., launcher was cleaned previously, user moved/modified files after initial archiving.Example output from the new
--exhaustive
check when paired with--clean
:--tar
flag that compresses whatever is left in a block launcher on disk after archiving, checking, and cleaning.--tar
is only ever invoked if--clean
is also active.This PR also adds a new
tasks
functionality that supplements thebackup
functionality of the cli:survey
emmet tasks survey
will search through a given directory (and all sub-dirs) to find any directories containing VASP files and put together a report-style log filesurvey
's functionality comes from thelauncher_finder
bash script, which will be installed on the user's path whenemmet-cli
ispip
installed, and can be invoked directly for conveniencebackups
(recursive search), but does not submitbackup
jobs.survey
will also find VASP files that need to be--reorg
ed or that have been quarantined due to failing validationsurvey
is mainly intended for use as a discovery tool to avoid manual searching. For example, when given a user's directory for archival where we have no idea about the contents (for MP, e.g., NERSC user that left years ago and we have nothing to go on).Small example output from
survey
: