Ecosyste.ms: Issues

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GitHub / MolSSI/QCPortal issues and pull requests

#17 - Remove python 3.6

Pull Request - State: closed - Opened by bennybp over 3 years ago - 1 comment

#16 - Remove travis + outdated devtools

Pull Request - State: closed - Opened by bennybp almost 4 years ago - 1 comment

#15 - adds CI workflow for GHA

Pull Request - State: closed - Opened by SinaMostafanejad almost 4 years ago - 2 comments

#14 - Replace curl with wget in travis

Pull Request - State: closed - Opened by bennybp about 4 years ago - 1 comment

#13 - QCPortal: Allow Datasets to run compute with properties driver

Pull Request - State: closed - Opened by ahurta92 almost 5 years ago - 2 comments

#12 - Update setup.py for v0.11.0

Pull Request - State: closed - Opened by Lnaden about 5 years ago - 1 comment

#11 - Cherry pick: Dataset Fixes Get History with Force

Pull Request - State: closed - Opened by Lnaden over 5 years ago - 1 comment

#10 - Update for Fractal 0.8.0

Pull Request - State: closed - Opened by Lnaden over 5 years ago

#9 - Update setup.py for the 0.7+ changes

Pull Request - State: closed - Opened by Lnaden over 5 years ago - 6 comments
Labels: bug

#8 - implement GridOptimizationRecord.get_final_molecules()

Pull Request - State: closed - Opened by yudongqiu over 5 years ago - 2 comments

#7 - Update the setup.py file and dependencies for Fractal 0.5.4

Pull Request - State: closed - Opened by Lnaden over 5 years ago - 1 comment

#6 - Fix packaging for this repository

Pull Request - State: closed - Opened by Lnaden almost 6 years ago - 4 comments

#5 - Add manifest to fix the pip release

Pull Request - State: closed - Opened by Lnaden almost 6 years ago - 1 comment

#4 - Update Portal to have better CI

Pull Request - State: closed - Opened by Lnaden almost 6 years ago - 1 comment

#3 - Start making changes to make this a standalone repo

Pull Request - State: closed - Opened by Lnaden about 6 years ago - 2 comments

#2 - Start making changes to make this a standalone repo

Pull Request - State: closed - Opened by Lnaden about 6 years ago - 4 comments

#1 - Start making changes to make this a standalone repo

Pull Request - State: closed - Opened by Lnaden about 6 years ago - 1 comment