diff --git a/src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala b/src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala new file mode 100644 index 0000000000000000000000000000000000000000..8dc4ac7568c3b48ead8efd60d942d13d0a846957 --- /dev/null +++ b/src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala @@ -0,0 +1,26 @@ +package eu.nomad_lab.parsers +import eu.nomad_lab.DefaultPythonInterpreter +import org.{json4s => jn} + +object GaussianParser extends SimpleExternalParserGenerator( + name = "GaussianParser", + parserInfo = jn.JObject( + ("name" -> jn.JString("GaussianParser")) :: + ("version" -> jn.JString("1.0")) :: Nil), + mainFileTypes = Seq("text/.*"), + mainFileRe = """\s*Invoking Gaussian \.\.\. +\s*Version """.r, + cmd = Seq(DefaultPythonInterpreter.python2Exe(), "${envDir}/parsers/gaussian/parser/parser-gaussian/parser_gaussian.py", + "--uri", "${mainFileUri}", "${mainFilePath}"), + resList = Seq( + "parser-gaussian/GaussianParser.py", + "parser-gaussian/setup_paths.py", + "nomad_meta_info/common.nomadmetainfo.json", + "nomad_meta_info/meta_types.nomadmetainfo.json", + "nomad_meta_info/gaussian.nomadmetainfo.json" + ) ++ DefaultPythonInterpreter.commonFiles(), + dirMap = Map( + "parser-gaussian" -> "parsers/gaussian/parser/parser-gaussian", + "nomad_meta_info" -> "nomad-meta-info/meta_info/nomad_meta_info", + "python" -> "python-common/common/python/nomadcore") ++ DefaultPythonInterpreter.commonDirMapping() +)