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Add quantum chemistry applications #277

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Add quantum chemistry applications #277

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277ccd6
Rough out some additional applications for seagrid/quantum chemistry …
jsperhac Apr 20, 2021
b7454a2
Simplify new entries for applications list.
jsperhac Apr 21, 2021
c73fb4f
Add CDO (Climate Data Operators) application
jsperhac Apr 27, 2021
9e7a062
Replaced hints with execmatch
jsperhac May 13, 2021
d9ce93b
Fix invalid json
jsperhac May 13, 2021
e792c70
Update validation for application count
jsperhac May 19, 2021
2ed6099
Merge branch 'xdmod10.0' into add-applications
jsperhac Oct 28, 2021
41602d8
Merge branch 'xdmod10.0' into add-applications
jpwhite4 Jan 6, 2022
efd5736
Add missing migration files.
jpwhite4 Jan 11, 2022
8d44c10
Merge branch 'xdmod10.0' into add-applications
jpwhite4 Jan 11, 2022
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38 changes: 37 additions & 1 deletion etl/js/config/supremm/application.json
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Original file line number Diff line number Diff line change
Expand Up @@ -2239,5 +2239,41 @@
"^gr-co-[0-9]{4}$",
"^gr-[0-9]{4}-[23]d-co$"
]
}
},
{
"name": "NEXMD",
"license_type": "permissive",
"science_area": "Molecular Dynamics",
"url": "https:/lanl/NEXMD",
"hints": [
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The use of hints is deprecated - this exists for backwards compatibility. Prefer to use the more precise execmatch to match the executable name with a regex or pathmatch to match the full path string (again with a regex).

"nexmd"
]
},
{
"name": "Libra",
"license_type": "permissive",
"science_area": "Quantum Chemistry",
"url": "https://quantum-dynamics-hub.github.io/libra/index.html",
"hints": [
"libra"
]
},
{
"name": "DFTB+",
"license_type": "permissive",
"science_area": "Quantum Chemistry",
"url": "https://dftbplus.org",
"hints": [
"dftbp",
"dftbplus"
]
},
{
"name": "CDO",
"license_type": "permissive",
"science_area": "Climate Science",
"url": "https://code.mpimet.mpg.de/projects/cdo",
"hints": [
"cdo"
]
]