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clarify error messages of chargeScripts when antechamber or xtb is unavailable #1039

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merged 1 commit into from
Jul 21, 2022

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@e-kwsm e-kwsm commented Jul 21, 2022

fix #1034

Signed-off-by: Eisuke Kawashima e-kwsm@users.noreply.github.com

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…available

fix OpenChemistry#1034

Signed-off-by: Eisuke Kawashima <e-kwsm@users.noreply.github.com>
@@ -93,7 +93,11 @@
if args["metadata"]:
print(json.dumps(getMetaData()))
elif args["display_name"]:
print(getMetaData()["name"])
name = getMetaData().get("name")

Check notice

Code scanning

Constant name "name" doesn't conform to UPPER_CASE naming style

Constant name "name" doesn't conform to UPPER_CASE naming style
@@ -144,7 +144,11 @@
if args["metadata"]:
print(json.dumps(getMetaData()))
elif args["display_name"]:
print(getMetaData()["name"])
name = getMetaData().get("name")

Check notice

Code scanning

Constant name "name" doesn't conform to UPPER_CASE naming style

Constant name "name" doesn't conform to UPPER_CASE naming style
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Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-2004.tar.gz
Win64.exe
Artifacts will only be retained for 90 days.

@ghutchis ghutchis merged commit be74ad9 into OpenChemistry:master Jul 21, 2022
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Here are the build results
Avogadro2.AppImage
macOS.dmg
Ubuntu-2004.tar.gz
Win64.exe
Artifacts will only be retained for 90 days.

@e-kwsm e-kwsm deleted the fix-1034 branch July 21, 2022 21:39
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chargeScripts may raise KeyError, "name", if external programs are unavailable
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