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Himanen, Lauri (himanel1) authoredHimanen, Lauri (himanel1) authored
Cp2kParser.scala 2.92 KiB
package eu.nomad_lab.parsers
import eu.{ nomad_lab => lab }
import eu.nomad_lab.DefaultPythonInterpreter
import org.{ json4s => jn }
import scala.collection.breakOut
object Cp2kParser extends SimpleExternalParserGenerator(
name = "Cp2kParser",
parserInfo = jn.JObject(
("name" -> jn.JString("Cp2kParser")) ::
("parserId" -> jn.JString("Cp2kParser" + lab.Cp2kVersionInfo.version)) ::
("versionInfo" -> jn.JObject(
("nomadCoreVersion" -> jn.JObject(lab.NomadCoreVersionInfo.toMap.map {
case (k, v) => k -> jn.JString(v.toString)
}(breakOut): List[(String, jn.JString)])) ::
(lab.Cp2kVersionInfo.toMap.map {
case (key, value) =>
(key -> jn.JString(value.toString))
}(breakOut): List[(String, jn.JString)])
)) :: 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(), "${envDir}/parsers/cp2k/parser/parser-cp2k/cp2kparser/scalainterface.py",
"${mainFilePath}"),
cmdCwd = "${mainFilePath}/..",
resList = Seq(
"parser-cp2k/cp2kparser/__init__.py",
"parser-cp2k/cp2kparser/setup_paths.py",
"parser-cp2k/cp2kparser/parser.py",
"parser-cp2k/cp2kparser/generic/__init__.py",
"parser-cp2k/cp2kparser/generic/inputparsing.py",
"parser-cp2k/cp2kparser/generic/configurationreading.py",
"parser-cp2k/cp2kparser/generic/csvparsing.py",
"parser-cp2k/cp2kparser/versions/__init__.py",
"parser-cp2k/cp2kparser/versions/versionsetup.py",
"parser-cp2k/cp2kparser/versions/cp2k262/__init__.py",
"parser-cp2k/cp2kparser/versions/cp2k262/singlepointparser.py",
"parser-cp2k/cp2kparser/versions/cp2k262/geooptparser.py",
"parser-cp2k/cp2kparser/versions/cp2k262/singlepointforceparser.py",
"parser-cp2k/cp2kparser/versions/cp2k262/inputparser.py",
"parser-cp2k/cp2kparser/versions/cp2k262/commonmatcher.py",
"parser-cp2k/cp2kparser/versions/cp2k262/input_data/cp2k_input_tree.pickle",
"parser-cp2k/cp2kparser/scalainterface.py",
"nomad_meta_info/public.nomadmetainfo.json",
"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()
)