beta release
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- Ivan Kondov added Documentation label
added Documentation label
- Ivan Kondov changed the description
Compare with previous version changed the description
- Ivan Kondov set weight to 10
set weight to 10
- Ivan Kondov created branch
252-beta-release
to address this issuecreated branch
252-beta-release
to address this issue - Ivan Kondov mentioned in merge request !202 (merged)
mentioned in merge request !202 (merged)
- Ivan Kondov changed the description
Compare with previous version changed the description
- Author Owner
Release notes:
Milestones (with % completed) and solved issues (with issue number #)
Jupyter kernel (64%)
- Add the jupyter kernel to the package #218 (closed)
- VirtMat kernel should be available from any directory #149 (closed)
- Data visualization #12 (closed)
Atomistic and molecular modeling language advanced (50 %)
- Add several intrinsic properties of AMML Structure #271 (closed)
-
output_structure
should be Structure and not Series #259 (closed) - RDF prerequisites check, energy definition and kinetic energy property #254 (closed)
- Add properties key to species and reaction parameters #232 (closed)
- Follow-up from "Resolve "Additional AMML properties needed for oxycat use case"" #175 (closed)
- Add AMML algorithms to work with AMML structrures and AMML calculators #141 (closed)
Nice-to-have features (37%)
- Interpreter: Add support for FireWorks without MongoDB #277 (closed)
- Interpreter: Behavior of print statements and IO statements #256 (closed)
- Grammar, Interpreter: Access to type and further metadata #255 (closed)
- Interpreter: Implement resource evaluation for pre_rocket feature #251 (closed)
- Documentation, Interpreter: Polish user interfaces of texts (script and session) #249 (closed)
- Interpreter: Dynamic worker name #238 (closed)
- Interpreter: Selection of batch queue is hard-wired in resources.py module #228 (closed)
- Interpreter: Further options/features in the interactive session #203 (closed)
- Documentation: Write a quick start guide #193 (closed)
- Grammar: Simplify the Table syntax #153 (closed)
- Interpreter: Avoid (optionally) creation of launcher_* folders #75 (closed)
Other changes (with issue number #)
- Grammar, Interpreter: Improve parsing in the session manager #290 (closed)
- Interpreter: Optimize database queries #283 (closed)
- Documentation: Add a CHANGELOG #278 (closed)
- Interpreter: Add names of created fireworks workflows #276 (closed)
- CI: Fix the CI pipeline with the new container #270 (closed)
- CI: Fix import errors in pylint CI job #267 (closed)
- AMML: Update Property syntax in TexM examples #253 (closed)
- Tests: Issue Add tests for the CLI tools #242 (closed)
- Interpreter: Issue Provide a switch to turn off the duplicates detection #237 (closed)
- Documentation: Describe a recommended way to execute models #199 (closed)
Bugfixes (with issue number #)
- Crash with a new model in a session #293 (closed)
- Model UUID not valid and crash in session #292 (closed)
- Reuse copies unnecessary data #291 (closed)
- Submodel reuse of tables cause numeric type and datatype inconsistencies #288 (closed)
- AttributeError:
np.float_
was removed in the NumPy 2.0 release #285 (closed) - Mongomock support for fireworks not working #284 (closed)
- Output formatting errors after pint release 0.24 #281 (closed)
- Job Failed #1165656 #279 (closed)
- Type error when subscripting cell array #272 (closed)
- vibrational_energies and energy_minimum properties not available for vasp calculator #269 (closed)
- Interpreter crash with function name reference #266 (closed)
- AssertionError in series:array #265 (closed)
- Wrong format of structure output in workflow mode #264 (closed)
- submodel reuse not working due to apparent syntax error #262 (closed)
- object_to statement in persistent model causes a crash #261 (closed)
- Syntax error when an expression starts with a function call #257 (closed)
- Operations with units that have offsets result in unwrapped error #250 (closed)
- Memory resource annotation passed incorrectly to FW_submit script #247 (closed)
- Nodes with batch category stuck in ready status #246 (closed)
- Issues with texts CLI when $HOME/.fireworks does not exist or LAUNCHPAD_LOC is None #243 (closed)
- Ivan Kondov mentioned in commit aefde98c
mentioned in commit aefde98c
- Ivan Kondov closed with merge request !202 (merged)
closed with merge request !202 (merged)
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