More parsers
There are a lot of additional parsers that we have not considered yet. They all come with their own test files. I managed to add the parsers (submodule, setup.py, matching) already, but most of them are not running yet.
more DFT (and MD) parsers
- LammpsParser: added, runs in principle
- AmberParser: added, tries to use the old metainfo, the relavant parts have to use the loaded legacy metainfo env from the superBackend, smartparser
- GromacsParser: added, MD, smartparser, throws exception
- GromosParser: added, MD, smartparser, throws exception (missing metadata)
- NamdParser: added, MD, smartparser
- CharmmParser: added, MD, smartparser
- TinkerParser: added, MD, smartparser, throws exception (missing metadata)
- DftbPlusParser: added, conflicts with redefined metainfo definitions
- AsapParser: added, seems to work fine
- FploParser: added, throws exception
- OpenKIM: added but most metainfo are missing
- empo: project is empty
- mopac: added, seems to work fine
other parsers
- AtomicDataParser (parser-atomic-data): This one is for a different domain and should be handled seperatly.
- QhpParser (parser-quasi-harmonic-properties): not added, is not a code parser. ditto.
The parsers are added to branch dev-more-parsers in this project. The actual parsers use the branch nomad-fair-metainfo. All development should happen on those branches, before we add them to the actual NOMAD.