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Make update #2348

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Make update #2348

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ecf56d9
Added make update
kfir4444 Mar 2, 2023
402abd1
added automatic update to docs
kfir4444 Mar 2, 2023
d6ba54e
Merge branch 'main' into make_update
kfir4444 Mar 2, 2023
2df6f04
Merge branch 'main' into make_update
kfir4444 Mar 2, 2023
38b3d4a
Merge branch 'main' into make_update
kfir4444 Mar 7, 2023
9de8f02
Merge branch 'main' into make_update
kfir4444 Mar 8, 2023
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23 changes: 23 additions & 0 deletions Makefile
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Expand Up @@ -145,6 +145,29 @@ scoop: all
@ echo "Running minimal example with SCOOP"
python -m scoop -n 2 rmg.py -v testing/scoop/input.py

.ONESHELL:
update:
@ echo "Updating RMG-py"
@ echo "Please remember to stash unwanted changes."
git status
@ read -p "Are there any changes that are not staged for committed? [y|n] " user_input
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should it be "staged or committed" or "staged for commit"?

if [ "$$user_input" = "N" ] || [ "$$user_input" = "n" ]; then
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does this work on your system? because I have the following error when I select y or n:

(rmg_env) blais.ch@FACC02D75Y4MD6T RMG-Py % make update
Updating RMG-py
Please remember to stash unwanted changes.
git status
On branch make_update
Your branch is up to date with 'origin/make_update'.

nothing to commit, working tree clean
Are there any changes that are not staged for committed? [y|n] y
if [ "$user_input" = "N" ] || [ "$user_input" = "n" ]; then
/bin/sh: -c: line 1: syntax error: unexpected end of file
make: *** [update] Error 2

this message appears in both zsh and bash. I assume it has to do with mixing make and bash?

git checkout main || true
git pull git@github.com:ReactionMechanismGenerator/RMG-Py.git main || git pull https://github.com/ReactionMechanismGenerator/RMG-Py.git main || true
conda activate rmg_env
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Would be nice if the environment name weren't hard coded. Mine has a different name, and sometimes I have more than one.
Perhaps instead have a check that RMG (or its dependencies) are available in the current environment, and a warning to activate the right environment if it is not.

You could probably just add check as a dependency for this target? (I think that checks all the python dependencies)

make
conda deactivate
exit
elif [ "$$user_input" = "Y" ] || [ "$$user_input" = "y" ]; then
@ echo "Please stash using 'git stash' and run this again"
@ echo "After the operation is done, use 'git stash pop'"
@ echo "Aborting..."
exit
fi
@ echo Wrong input: $$user_input
@ echo "Aborting..."
exit

#########
# Section for setting up MOPAC calculations on the Travis-CI.org server
ifeq ($(TRAVIS),true)
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9 changes: 8 additions & 1 deletion documentation/source/users/rmg/installation/updatingSourceCode.rst
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Expand Up @@ -7,7 +7,14 @@ Updating the RMG-Py Source Code
It is recommended to keep yourself up to date with the latest patches and bug fixes by RMG developers,
which is maintained on the official repository at https://github.com/ReactionMechanismGenerator/RMG-Py/
You can view the latest changes by viewing the commits tab on the repository.
To update your source code, you can "pull" the latest changes from the official repo by typing the following command in the

To update your local RMG-Py source code automatically, you can use the following commands::

cd /path/to/RMG-Py
conda activate rmg_env
make update

To update your source code manually, you can "pull" the latest changes from the official repo by typing the following command in the
Command Prompt ::

cd RMG-Py
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