/* Copyright 2016-2017 The NOMAD Developers Group Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at http://www.apache.org/licenses/LICENSE-2.0 Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. */ package eu.nomad_lab.parsers import eu.{ nomad_lab => lab } import eu.nomad_lab.DefaultPythonInterpreter import org.{ json4s => jn } import scala.collection.breakOut object MolcasParser extends SimpleExternalParserGenerator( name = "MolcasParser", parserInfo = jn.JObject( ("name" -> jn.JString("MolcasParser")) :: ("parserId" -> jn.JString("MolcasParser" + lab.MolcasVersionInfo.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.MolcasVersionInfo.toMap.map { case (key, value) => (key -> jn.JString(value.toString)) }(breakOut): List[(String, jn.JString)]) )) :: Nil ), mainFileTypes = Seq("text/.*"), mainFileRe = """ \s*\^[\s\^]*M O L C A S\s* \s*\^[\s\^]*version \S+ patchlevel \S+\s* """.r, cmd = Seq(DefaultPythonInterpreter.pythonExe(), "${envDir}/parsers/molcas/parser/parser-molcas/main.py", "--uri", "${mainFileUri}", "${mainFilePath}"), resList = Seq( "parser-molcas/main.py", "parser-molcas/functionals.py", "parser-molcas/setup_paths.py", "nomad_meta_info/public.nomadmetainfo.json", "nomad_meta_info/common.nomadmetainfo.json", "nomad_meta_info/meta_types.nomadmetainfo.json", "nomad_meta_info/molcas.nomadmetainfo.json" ) ++ DefaultPythonInterpreter.commonFiles(), dirMap = Map( "parser-molcas" -> "parsers/molcas/parser/parser-molcas", "nomad_meta_info" -> "nomad-meta-info/meta_info/nomad_meta_info", "python" -> "python-common/common/python/nomadcore" ) ++ DefaultPythonInterpreter.commonDirMapping(), metaInfoEnv = Some(lab.meta.KnownMetaInfoEnvs.molcas) )