Skip to content

Fixed issue 93 #94

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

Merged
charnley merged 10 commits into from
Dec 23, 2022
Merged

Fixed issue 93 #94

Changes from 1 commit
Commits
Show all changes
10 commits
Select commit Hold shift + click to select a range
66c50f1
Setup env fast
charnley Dec 16, 2022
7de1eec
Isolated bug
charnley Dec 16, 2022
b13b991
Bug found
charnley Dec 16, 2022
6c7a066
add type, remove comments, fix np test
charnley Dec 20, 2022
5c812ba
Fixed rmsd naming convention consistency
charnley Dec 20, 2022
59a5616
Format
charnley Dec 20, 2022
3696d4d
Backward compatibility
charnley Dec 20, 2022
31537d2
Added qml installer to makefile
charnley Dec 20, 2022
34c2e9a
Fixed reorder inconsistency
charnley Dec 22, 2022
d27e5c4
Used github instead of gitlab
charnley Dec 23, 2022
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
Next Next commit
Setup env fast
  • Loading branch information
@charnley
charnley committed Dec 16, 2022
commit 66c50f1ac426b28892d598b7fb057c295a42db68
1 change: 1 addition & 0 deletions Makefile
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,6 +1,7 @@

env:
conda env create -f ./environment.yml -p ./env --quiet
./env/bin/python -m pip install -e .

test:
python -m pytest -vrs tests
Expand Down