Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Update code and fix bugs #1

Draft
wants to merge 11 commits into
base: main
Choose a base branch
from
Draft

Update code and fix bugs #1

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
11 commits
Select commit Hold shift + click to select a range
aeff558
update codes to be consistent with latest mmic
RlyehAD Oct 9, 2021
777f927
del the output attribute outfiles_track
RlyehAD Oct 9, 2021
4ff1946
use pipy versions of cmselemental and mmic
RlyehAD Oct 9, 2021
9f95950
Fix a bug with a pair of extra ()
RlyehAD Oct 9, 2021
2fbcc8b
only test on python 3.9
RlyehAD Dec 10, 2021
cd64528
use released version of mmelemental
RlyehAD Dec 10, 2021
cc951d3
remove qcengine; update cms/mmel
anabiman Dec 13, 2021
8835c90
sync with mmic v0.1.1
anabiman Dec 13, 2021
ecba4c2
create qengine utils module
anabiman Dec 13, 2021
f792310
Delete docs dir
RlyehAD Dec 16, 2021
724d7a5
delete unecessary workflow of docs
RlyehAD Dec 17, 2021
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
The table of contents is too big for display.
Diff view
Diff view
  •  
  •  
  •  
2 changes: 1 addition & 1 deletion .github/workflows/CI.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,7 @@ jobs:
strategy:
matrix:
os: [ubuntu-latest]
python-version: [3.7, 3.8, 3.9]
python-version: [3.9]

steps:
- uses: actions/checkout@v1
Expand Down
68 changes: 0 additions & 68 deletions .github/workflows/doc.yaml
View file
Open in desktop

This file was deleted.

5 changes: 2 additions & 3 deletions devtools/conda-envs/test_env.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,6 @@ dependencies:
- sphinx
- asteroid-sphinx-theme
- codecov
- cmselemental
- mmelemental
- git+https://github.com/MolSSI/mmic
- git+https://github.com/MolSSI/mmelemental
- git+https://github.com/Andrew-AbiMansour/qcengine@execute
- git+https://github.com/MolSSI/cmselemental@dev
Loading