v0.84.3
What's Changed
- Automated dependency upgrades by @tschaume in #1111
- Automated dependency upgrades by @tschaume in #1113
- update "R2SCAN" to "r2SCAN" to match enum convention by @tsmathis in #1112
- Automated dependency upgrades by @tschaume in #1114
- Automated dependency upgrades by @tschaume in #1115
- add completed_at field (+run_stats) to TaskDoc as root fields by @tsmathis in #1116
- update elasticity builder asserts by @tsmathis in #1117
- Remove deprecated Extra.allow from document models by @tsmathis in #1121
- Improve error handling in
SymmetryData
by @mkhorton in #1118 - Replace relocated
GrainBoundary
import by @DanielYang59 in #1122 - Automated dependency upgrades by @tschaume in #1120
- Bump codecov/codecov-action from 4.5.0 to 4.6.0 by @dependabot in #1125
- Fix TaskDoc.task_type by @esoteric-ephemera in #1128
- Fix for MaterialsBuilder when
TaskDoc.tags
isNone
by @mkhorton in #1124 - Run CI enum generation on forks outside MP by @esoteric-ephemera in #1129
- Feat: Add run types for GW calculations by @yanghan234 in #1105
- Automated dependency upgrades by @tschaume in #1130
- Automated dependency upgrades by @tschaume in #1132
- Automated dependency upgrades by @tschaume in #1134
- Automated dependency upgrades by @tschaume in #1136
- Automated dependency upgrades by @tschaume in #1138
- Automated dependency upgrades by @tschaume in #1139
- update pymatgen dependency by @yang-ruoxi in #1141
- Automated dependency upgrades by @tschaume in #1140
- Automated dependency upgrades by @tschaume in #1142
- expand run type check to include r2SCAN entries by @tsmathis in #1145
- Make species hash and coord hash optional in
MoleculeMetadata
by @Andrew-S-Rosen in #1151 - Bump codecov/codecov-action from 4.6.0 to 5.0.7 by @dependabot in #1147
- Fix serialization issue in XASDoc by @esoteric-ephemera in #1146
- Update release workflow to support PEP 625 for source distribution file names by @tsmathis in #1152
- Automated dependency upgrades by @tschaume in #1143
- Automated dependency upgrades by @tschaume in #1153
- Automated dependency upgrades by @tschaume in #1154
- Bump codecov/codecov-action from 5.0.7 to 5.1.1 by @dependabot in #1156
- Automated dependency upgrades by @tschaume in #1155
New Contributors
- @DanielYang59 made their first contribution in #1122
- @yanghan234 made their first contribution in #1105
Full Changelog: v0.84.2...v0.84.3