Update the szczur environment file to match current environment variable syntax#16
Conversation
|
This PR fixes Issue #15 . |
MiCurry
left a comment
There was a problem hiding this comment.
@MGuda, the library section looks good in szczur.yaml, but the MPI section is incorrect. You can specify the MPI section in a similar way to the compiler section:
GNU-9.2.0:
name: gnu-9.2.0
compiler:
name: gnu
version: 9.2.0
path: /Users/duda/local/gcc-9.2.0
executables:
- gcc
- gfortran
- g++
MPI:
version: x.xx.x
PATH: /Users/duda/local/gcc-9.2.0
executables:
- mpicc
- mpifort
- mpic++|
I will also note that I've got a hopefully final change to the main specification of the environment file coming soon, which you can find in my branch here: https://github.com/MiCurry/SMARTS2/tree/env_spec. As well as updating the specification to be more consistent, it also contains a few more checks to the environment file and updates all of the error messages to match the specification. If you would like, I can update szczur.env to match the new environment in that branch after merging this PR. |
…syntax As of the merge commit 6f55178, the syntax for specifying environment variables changed. This commit updates the szczur.yaml file to match this new syntax.
|
I've just force-pushed an updated branch that I think should resolve the MPI environment issue. |
|
@mgduda, this PR looks good. However, after the last PR #17 the file is again out of date. However, PR #17 contains update to the environment file parser that will walk you through the changes you'll need to make. So if you rebase this branch on master, and try to run The changes are mostly for the capitalization of keywords (i.e. Let me know if you have any questions or problems. |
This merge updates the
szczur.yamlenvironment file to match the current environmentvariable syntax.
As of the merge commit 6f55178, the syntax for specifying environment variables
changed.