meta 2.0 changes

parent 1fef751f
Pipeline #42653 failed with stages
in 10 seconds
......@@ -91,7 +91,7 @@ object IndexManifest {
IndexEntry("configuration_raw_gid"),
//computational setup
IndexEntry("electronic_structure_method"),
IndexEntry("XC_functional_name"),
IndexEntry("xc_functional_name"),
IndexEntry("program_basis_set_type"),
//data related to other projects ingested into Nomad(e.g. AFlowLib)
IndexEntry("prototype_aflow_id"),
......
......@@ -251,7 +251,7 @@ object KnownMetaInfo extends StrictLogging {
lazy val qhp = {
loadMetaEnv(
"meta_dictionary/quasi-harmonic-properties.meta_dictionary.json"
"meta_dictionary/quasi_harmonic_properties.meta_dictionary.json"
)
}
......
......@@ -331,7 +331,7 @@ object KnownMetaInfoEnvs extends MetaInfoCollection with StrictLogging {
val qhp = {
loadMetaEnv(
"nomad_meta_info/quasi-harmonic-properties.nomadmetainfo.json",
"nomad_meta_info/quasi_harmonic_properties.nomadmetainfo.json",
description = "Quasi-harmonic meta info and its dependencies"
)
}
......
......@@ -101,7 +101,7 @@ object FlinkNormalizer {
}
val xc_functional = method match {
case Some(m) =>
m.maybeValue("XC_functional") match {
m.maybeValue("xc_functional") match {
case Some(v) => v.jValue match {
case jn.JString(v) => v
case _ => "undefined"
......
......@@ -15,31 +15,31 @@ repoRequired = [
"atom_labels",
"atom_positions",
"program_version",
"XC_functional_name",
"xc_functional_name",
"electronic_structure_method",
"energy_total",
"simulation_cell",
"configuration_periodic_dimensions"]
encReq = [
'XC_functional_name',
'xc_functional_name',
'section_system',
'k_mesh_points',
'k_mesh_weights',
'atom_labels',
'simulation_cell',
'section_method',
'section_XC_functionals',
'section_xc_functionals',
'configuration_periodic_dimensions',
'atom_positions',
'program_basis_set_type',
'section_frame_sequence',
'section_sampling_method',
'single_configuration_to_calculation_method_ref',
'single_configuration_calculation_to_method_ref',
'single_configuration_calculation_to_system_ref',
'atom_forces_raw',
'frame_sequence_local_frames_ref',
'frame_sequence_to_sampling_ref',
'atom_forces',
'frame_sequence_to_frames_ref',
'frame_sequence_to_sampling_method_ref',
'eigenvalues_kpoints',
'eigenvalues_values',
'eigenvalues_occupation',
......
......@@ -86,7 +86,7 @@ class NomadMetaInfoServiceSpec extends Specification with Specs2RouteTest with N
}
"GET multiple metaInfo graph" in {
Get("/nmi/v/last/multiplemetainfograph.json?metaInfoList=atom_forces_T0,atom_forces_type,atom_label") ~> sealRoute(myRoute) ~> check {
Get("/nmi/v/last/multiplemetainfograph.json?metaInfoList=atom_forces_t0,atom_forces_type,atom_label") ~> sealRoute(myRoute) ~> check {
(JsonUtils.parseStr(responseAs[String]) \ "nodes").extract[JArray].children.length >= 3 must_== true
}
}
......
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