diff --git a/src/main/scala/eu/nomad_lab/parsers/Cp2kParser.scala b/src/main/scala/eu/nomad_lab/parsers/Cp2kParser.scala new file mode 100644 index 0000000000000000000000000000000000000000..d43bad264156b2b6e1ef41d1d07d11fce98ea368 --- /dev/null +++ b/src/main/scala/eu/nomad_lab/parsers/Cp2kParser.scala @@ -0,0 +1,51 @@ +package eu.nomad_lab.parsers +import eu.nomad_lab.DefaultPythonInterpreter +import org.{json4s => jn} + +object Cp2kParser extends SimpleExternalParserGenerator( + name = "Cp2kParser", + parserInfo = jn.JObject( + ("name" -> jn.JString("Cp2kParser")) :: + ("version" -> jn.JString("1.0")) :: Nil), + mainFileTypes = Seq("text/.*"), + mainFileRe = """ \*\*\*\* \*\*\*\* \*\*\*\*\*\* \*\* PROGRAM STARTED AT\s(?<cp2kStartedAt>.*) + \*\*\*\*\* \*\* \*\*\* \*\*\* \*\* PROGRAM STARTED ON\s*.* + \*\* \*\*\*\* \*\*\*\*\*\* PROGRAM STARTED BY .* + \*\*\*\*\* \*\* \*\* \*\* \*\* PROGRAM PROCESS ID .* + \*\*\*\* \*\* \*\*\*\*\*\*\* \*\* PROGRAM STARTED IN .* +(?:\s*\n| \s+.* +)* +(?:\s*CP2K\| version string:\s*(?<cp2kVersionString>.*) +)?(?:\s*CP2K\| source code revision number:\s*(?<cp2kRevision>.*) +)?""".r, + cmd = Seq(DefaultPythonInterpreter.python2Exe(), "${envDir}/parsers/cp2k/parser/parser-cp2k/cp2kparser/scalainterface.py", + "--uri", "${mainFileUri}", "${mainFilePath}"), + cmdCwd = "${mainFilePath}/..", + resList = Seq( + "parser-cp2k/cp2kparser/utils/baseclasses.py", + "parser-cp2k/cp2kparser/utils/testing.py", + "parser-cp2k/cp2kparser/utils/__init__.py", + "parser-cp2k/cp2kparser/utils/logconfig.py", + "parser-cp2k/cp2kparser/__init__.py", + "parser-cp2k/cp2kparser/parsing/versions/__init__.py", + "parser-cp2k/cp2kparser/parsing/versions/cp2k262/inputparsing.py", + "parser-cp2k/cp2kparser/parsing/versions/cp2k262/__init__.py", + "parser-cp2k/cp2kparser/parsing/versions/cp2k262/implementation.py", + "parser-cp2k/cp2kparser/parsing/versions/cp2k262/outputparser.py", + "parser-cp2k/cp2kparser/parsing/versions/versionsetup.py", + "parser-cp2k/cp2kparser/parsing/__init__.py", + "parser-cp2k/cp2kparser/parsing/cp2kinputenginedata/xmlpreparser.py", + "parser-cp2k/cp2kparser/parsing/cp2kinputenginedata/__init__.py", + "parser-cp2k/cp2kparser/parsing/cp2kinputenginedata/input_tree.py", + "parser-cp2k/cp2kparser/parsing/parser.py", + "parser-cp2k/cp2kparser/parsing/csvparsing.py", + "parser-cp2k/cp2kparser/setup_paths.py", + "parser-cp2k/cp2kparser/scalainterface.py", + "nomad_meta_info/common.nomadmetainfo.json", + "nomad_meta_info/meta_types.nomadmetainfo.json", + "nomad_meta_info/cp2k.nomadmetainfo.json" + ) ++ DefaultPythonInterpreter.commonFiles(), + dirMap = Map( + "parser-cp2k" -> "parsers/cp2k/parser/parser-cp2k", + "nomad_meta_info" -> "nomad-meta-info/meta_info/nomad_meta_info") ++ DefaultPythonInterpreter.commonDirMapping() +)