Express - v0.9.2

Express v0.9.2

Diff since v0.9.1

- Julia
Published by github-actions[bot] over 3 years ago

Express - v0.9.1

Express v0.9.1

Diff since v0.9.0

Closed issues: - Can't run Express (#232)

Merged pull requests: - Add ExpressWorkflowMaker.jl to deps (#226) (@singularitti) - CompatHelper: add new compat entry for ExpressBase at version 0.1, (keep existing compat) (#227) (@github-actions[bot]) - Simplify ExpandConfig for Pressures, Volumes & Temperatures (#228) (@singularitti) - Rename distprocs to ExpressWorkflowMaker.distribute_procs (#229) (@singularitti) - Rename buildworkflow to build from Recipes in src/*/Recipes.jl (#230) (@singularitti) - CompatHelper: bump compat for ExpressBase to 0.2, (keep existing compat) (#231) (@github-actions[bot]) - CompatHelper: bump compat for SimpleWorkflows to 0.17, (keep existing compat) (#233) (@github-actions[bot]) - Fix imports of SimpleWorkflows.jl (#234) (@singularitti) - Merge ExpressWorkflowMaker.jl into this repo (#235) (@singularitti) - Rename VectorWithUnitOption to SamplingPoints, @vopt to @sp (#236) (@singularitti) - CompatHelper: add new compat entry for UnitfulAtomic at version 1, (keep existing compat) (#237) (@github-actions[bot]) - CompatHelper: add new compat entry for Formatting at version 0.4, (keep existing compat) (#238) (@github-actions[bot]) - CompatHelper: add new compat entry for Pseudopotentials at version 0.8, (keep existing compat) (#239) (@github-actions[bot]) - Rewrite EquationOfStateWorkflow (#240) (@singularitti) - Rename field values to params in TrialEquationOfState (#241) (@singularitti) - Fix: add thunkify for all RuntimeConfig (#242) (@singularitti) - CompatHelper: bump compat for ExpressBase to 0.3, (keep existing compat) (#243) (@github-actions[bot]) - Fix imports of ExpressBase.Files (#244) (@singularitti) - CompatHelper: bump compat for SimpleWorkflows to 0.18, (keep existing compat) (#245) (@github-actions[bot]) - CompatHelper: add new compat entry for EasyJobs at version 0.1, (keep existing compat) (#246) (@github-actions[bot]) - CompatHelper: bump compat for SimpleWorkflows to 0.19, (keep existing compat) (#247) (@github-actions[bot]) - CompatHelper: add new compat entry for EasyJobsBase at version 0.1, (keep existing compat) (#248) (@github-actions[bot]) - CompatHelper: bump compat for SimpleWorkflows to 0.20, (keep existing compat) (#249) (@github-actions[bot]) - CompatHelper: bump compat for EasyJobsBase to 0.2, (keep existing compat) (#250) (@github-actions[bot]) - CompatHelper: bump compat for SimpleWorkflows to 0.21, (keep existing compat) (#251) (@github-actions[bot]) - CompatHelper: bump compat for EasyJobsBase to 0.3, (keep existing compat) (#252) (@github-actions[bot]) - CompatHelper: bump compat for SimpleWorkflows to 0.22, (keep existing compat) (#253) (@github-actions[bot]) - CompatHelper: bump compat for EasyJobsBase to 0.4, (keep existing compat) (#254) (@github-actions[bot]) - CompatHelper: bump compat for SimpleWorkflows to 0.23, (keep existing compat) (#255) (@github-actions[bot]) - CompatHelper: bump compat for ExpressBase to 0.4, (keep existing compat) (#256) (@github-actions[bot])

- Julia
Published by github-actions[bot] over 3 years ago

Express - v0.9.0

Express v0.9.0

Diff since v0.8.0

Merged pull requests: - CompatHelper: bump compat for SimpleWorkflows to 0.16, (keep existing compat) (#221) (@github-actions[bot]) - Rename operators as in https://github.com/MineralsCloud/SimpleWorkflows.jl/pull/129 (#222) (@singularitti) - Use JLD2 in EquationOfStateWorkflow instead of stdlib Serialization (#223) (@singularitti) - Update docs (#224) (@singularitti)

- Julia
Published by github-actions[bot] almost 4 years ago

Express - v0.8.0

Express v0.8.0

Diff since v0.7.2

Closed issues: - Support AtomsBase.jl (#216)

Merged pull requests: - Rename AtomicJob to Job from SimpleWorkflows.jl (#217) (@singularitti) - CompatHelper: bump compat for SimpleWorkflows to 0.14, (keep existing compat) (#219) (@github-actions[bot]) - CompatHelper: bump compat for SimpleWorkflows to 0.15, (keep existing compat) (#220) (@github-actions[bot])

- Julia
Published by github-actions[bot] almost 4 years ago

Express - v0.7.2

Express v0.7.2

Diff since v0.7.1

Merged pull requests: - Update docs (#214) (@singularitti) - Restyled by prettier-markdown (#215) (@singularitti)

- Julia
Published by github-actions[bot] about 4 years ago

Express - v0.7.1

Express v0.7.1

Diff since v0.7.0

Merged pull requests: - Add test "Load a configuration file: silicon" in test/QuasiHarmonicApproxWorkflow.jl (#208) (@singularitti) - Restyled/qha files (#209) (@singularitti) - Bump codecov/codecov-action from 2 to 3 (#210) (@dependabot[bot]) - Add some troubleshooting docs (#211) (@singularitti) - Update template files (#212) (@singularitti)

- Julia
Published by github-actions[bot] about 4 years ago

Express - v0.7.0

Express v0.7.0

Diff since v0.6.8

Merged pull requests: - Bump actions/checkout from 2 to 3 (#206) (@dependabot[bot]) - Deprecate ExpandConfig as a subtype of Action (#207) (@singularitti)

- Julia
Published by github-actions[bot] about 4 years ago

Express - v0.6.8

Express v0.6.8

Diff since v0.6.7

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.6.7

Express v0.6.7

Diff since v0.6.6

Merged pull requests: - CompatHelper: bump compat for AbInitioSoftwareBase to 0.9, (keep existing compat) (#204) (@github-actions[bot]) - Fix myuparse does not take spaces (#205) (@singularitti)

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.6.6

Express v0.6.6

Diff since v0.6.5

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.6.5

Express v0.6.5

Diff since v0.6.4

Merged pull requests: - Update CI files (#200) (@singularitti) - Fix @repl to julia-repl in docs (#201) (@singularitti) - Deprecate myuparse, use @u_str (#202) (@singularitti) - Revert some bad decisions in #202 (#203) (@singularitti)

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.6.4

Express v0.6.4

Diff since v0.6.3

Merged pull requests: - Update docs (#194) (@singularitti) - Fix docs/src/troubleshooting.md (#195) (@singularitti) - Update "How to run Express from command line" docs (#196) (@singularitti) - CompatHelper: bump compat for SimpleWorkflows to 0.13, (keep existing compat) (#198) (@github-actions[bot])

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.6.3

Express v0.6.3

Diff since v0.6.2

Closed issues: - New version: v0.6.2 (#188)

Merged pull requests: - Update docs: install.md (#189) (@singularitti) - Add GetData to buildworkflow in src/EquationOfStateWorkflow/Recipes.jl (#190) (@singularitti) - Restyled by prettier-markdown (#191) (@singularitti) - Use stage in buildworkflow of EquationOfStateWorkflow (#192) (@singularitti)

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.6.2

Express v0.6.2

Diff since v0.6.1

Merged pull requests: - Deprecate TrialEquationOfState can take AbstractDict (#187) (@singularitti)

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.6.1

Express v0.6.1

Diff since v0.6.0

Merged pull requests: - Make path if dir does not exist in DownloadPotentials (#185) (@singularitti)

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.6.0

Express v0.6.0

Diff since v0.5.0

Closed issues: - New version: v0.5.0 (#178)

Merged pull requests: - Implement type DownloadPotentials in EquationOfStateWorkflow (#179) (@singularitti) - Add DownloadPotentials to other workflows (#180) (@singularitti) - Fix buildworkflow (#181) (@singularitti) - CompatHelper: bump compat for AbInitioSoftwareBase to 0.8, (keep existing compat) (#182) (@github-actions[bot]) - Deprecate getpotentials & getpseudodir (#183) (@singularitti)

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.5.0

Express v0.5.0

Diff since v0.4.5

Closed issues: - New version: v0.4.5 (#173)

Merged pull requests: - Add ConvergenceTestWorkflow (#174) (@singularitti) - Add buildworkflow to ConvergenceTestWorkflow (#175) (@singularitti) - CompatHelper: bump compat for SimpleWorkflows to 0.12, (keep existing compat) (#176) (@github-actions[bot]) - Fix ExpandConfig & MakeInput for MonkhorstPackGrids (#177) (@singularitti)

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.4.5

Express v0.4.5

Diff since v0.4.4

Merged pull requests: - CompatHelper: bump compat for Configurations to 0.17, (keep existing compat) (#172) (@github-actions[bot])

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.4.4

Express v0.4.4

Diff since v0.4.3

Merged pull requests: - New version: v0.4.3 (#169) (@singularitti) - CompatHelper: bump compat for AbInitioSoftwareBase to 0.7, (keep existing compat) (#170) (@github-actions[bot])

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.4.3

Express v0.4.3

Diff since v0.4.2

Merged pull requests: - New version: v0.4.2 (#167) (@singularitti) - CompatHelper: bump compat for EquationsOfStateOfSolids to 0.4, (keep existing compat) (#168) (@github-actions[bot])

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.4.2

Express v0.4.2

Diff since v0.4.1

Merged pull requests: - New version: v0.4.1 (#163) (@singularitti) - CompatHelper: bump compat for SimpleWorkflows to 0.10, (keep existing compat) (#164) (@github-actions[bot]) - CompatHelper: bump compat for SimpleWorkflows to 0.11, (keep existing compat) (#165) (@github-actions[bot]) - CompatHelper: bump compat for SimpleWorkflows to 0.11, (keep existing compat) (#166) (@github-actions[bot])

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.4.1

Express v0.4.1

Diff since v0.4.0

Merged pull requests: - New version: v0.4.0 (#159) (@singularitti) - Define type Recipe & fix read from Recipe (#160) (@singularitti) - CompatHelper: bump compat for SimpleWorkflows to 0.9, (keep existing compat) (#161) (@github-actions[bot]) - CompatHelper: bump compat for EquationsOfStateOfSolids to 0.3, (keep existing compat) (#162) (@github-actions[bot])

- Julia
Published by github-actions[bot] over 4 years ago

Express - v0.4.0

Express v0.4.0

Diff since v0.3.2

Merged pull requests: - Update docs (#157) (@singularitti) - Deprecate DefaultActions as module (#158) (@singularitti)

- Julia
Published by github-actions[bot] almost 5 years ago

Express - v0.3.2

Express v0.3.2

Diff since v0.3.1

Merged pull requests: - Fix propertynames to fieldnames of type T (#155) (@singularitti)

- Julia
Published by github-actions[bot] almost 5 years ago

Express - v0.3.1

Express v0.3.1

Diff since v0.3.0

Merged pull requests: - Fix an order bug in building the PhononWorkflow (#153) (@singularitti)

- Julia
Published by github-actions[bot] almost 5 years ago

Express - v0.3.0

Express v0.3.0

Diff since v0.2.3

Merged pull requests: - Add recipe to RuntimeConfigs (#150) (@singularitti) - Fix convert_to_option will not read Vector (#151) (@singularitti)

- Julia
Published by github-actions[bot] almost 5 years ago

Express - v0.2.3

Express v0.2.3

Diff since v0.2.2

Merged pull requests: - New version: v0.2.2 (#147) (@singularitti) - Fix thermodynamic_properties from a Tuple to a Vector in ExpandConfig (#148) (@singularitti) - New version: v0.2.3 (#149) (@singularitti)

- Julia
Published by github-actions[bot] almost 5 years ago

Express - v0.2.2

Express v0.2.2

Diff since v0.2.1

Merged pull requests: - Deprecate constructors of Pressures, etc., from Strings (#145) (@singularitti) - Deprecate whichmodule & buildworkflow from it (#146) (@singularitti)

- Julia
Published by github-actions[bot] almost 5 years ago

Express - v0.2.1

Express v0.2.1

Diff since v0.2.0

Merged pull requests: - New version: v0.2.0 (#142) (@singularitti) - Bump AbInitioSoftwareBase.jl compat to 0.6 (#143) (@singularitti)

- Julia
Published by github-actions[bot] almost 5 years ago

Express - v0.2.0

Express v0.2.0

Diff since v0.1.0

Merged pull requests: - New version: v0.1.0 (#131) (@singularitti)

- Julia
Published by github-actions[bot] almost 5 years ago

Express - v0.1.0

Express v0.1.0

Closed issues: - Add units to update_alat_press in module EquationOfStateFitting (#23) - Change outdir to outdir * mktempdir() (#45) - How can _makeinput take variable arguments? (#49) - Make makeinput more extensible? (#51) - Where should I export the interface functions? (#53) - Remove workdir parameter in config file (#63) - Support writing StepRange in config file (#87)

Merged pull requests: - Add some features (#1) (@singularitti) - Rewrite Express.StructureOptimization.generate_input! (#2) (@singularitti) - Before creating an image (#3) (@singularitti) - Simplify code in StructureOptimization module (#4) (@singularitti) - Add module BandStructure (#5) (@singularitti) - Refactor module EquationOfStateFitting following JuMP style guide (#8) (@singularitti) - Develop (#10) (@searchengineorientprogramming) - Change update_alat_press (#11) (@singularitti) - Rewrite EquationOfStateFitting module (#12) (@singularitti) - Feature/style (#13) (@singularitti) - Add a lot new features (#14) (@singularitti) - Implement module Phonon for phonon calculation (#15) (@singularitti) - Add GitHub action greetings.yml (#16) (@singularitti) - test (#20) (@searchengineorientprogramming) - Fix using Find problem (#22) (@searchengineorientprogramming) - Fix bug in calling cell_parameters.data (#25) (@searchengineorientprogramming) - Add query, etc., APIs to submit, check and schedule jobs (#26) (@singularitti) - Use new schemes in QuantumESPRESSOBase.jl & QuantumESPRESSOParsers.jl (#27) (@singularitti) - Change pseudopotentials to potentials (#28) (@searchengineorientprogramming) - Change cell_parameters.data to cell_parameters (#29) (@searchengineorientprogramming) - Refine generate_path method (#30) (@searchengineorientprogramming) - Add Electrons,ions,cell namelist into wizard (#31) (@searchengineorientprogramming) - Add colors to prompts of the wizard (#32) (@singularitti) - Add phonon namelist into wizard (#33) (@searchengineorientprogramming) - Finish namelist_helper, add card_helper & input_helper (#34) (@singularitti) - Implement some steps for the Wizard (#35) (@singularitti) - Move all helpers to QuantumESPRESSOHelpers.jl (#36) (@singularitti) - using QuantumESPRESSP.Cards (#37) (@searchengineorientprogramming) - cell_volume should accept cell_parameter (#38) (@searchengineorientprogramming) - Redesign some API in Jobs module (#39) (@singularitti) - A thorough change (#40) (@singularitti) - Add Docker support, add 1 example: GaN (#41) (@singularitti) - Change outdir to outdir * mktempdir() (#46) (@singularitti) - Add some buildjob methods in EosFitting module (#47) (@singularitti) - Add buildworkflow (#48) (@singularitti) - Add some Phonon features (#50) (@singularitti) - Make makeinput more extensible (#52) (@singularitti) - Rewrite buildjob & add BuildCmd, MakeInput, EosFit, etc (#54) (@singularitti) - Small polish in src/EosFitting.jl (#55) (@singularitti) - Rewrite src/EosFitting/EosFitting.jl (#56) (@singularitti) - A lot of renamings (#57) (@singularitti) - Move Actions to DefaultActions module (#58) (@singularitti) - Small updates in EosFitting module (#59) (@singularitti) - Rewrite config loading part (#60) (@singularitti) - Fix some configs reading (#61) (@singularitti) - Fix returning nothing in src/Phonon/makeinput.jl (#62) (@singularitti) - Resolve #63 (#64) (@singularitti) - Rewrite checkconfig using new config parameters (#66) (@singularitti) - Implement QuasiHarmonicApprox workflow (#67) (@singularitti) - Rename writeinput to writetxt (#68) (@singularitti) - Add shell args from template of shell files (#69) (@singularitti) - Rename types in EquationsOfStateOfSolids.jl (#70) (@singularitti) - Use new method to materialize_eos (#71) (@singularitti) - Rewrite EosFitting.Config using Configurations.jl (#72) (@singularitti) - config (#73) (@singularitti) - config (#74) (@singularitti) - Move buildjob to QuantumESPRESSOExpress.jl (#75) (@singularitti) - Fix MakeInput (#76) (@singularitti) - Rewrite PhononConfig, etc. (#77) (@singularitti) - Rewrite Phonon module, including MakeInput (#78) (@singularitti) - Update EosFitting.Config (#80) (@singularitti) - Move MakeCmd to *.DefaultActions (#81) (@singularitti) - Fix _materialize_eos cannot work on AbstractVector (#82) (@singularitti) - Merge materialize_press_vol, materialize_dir, etc., into materialize (#83) (@singularitti) - Add LogMsg to workflows (#84) (@singularitti) - Simplify the old workflow coding style to the new, Chain.jl-like style using → (#85) (@singularitti) - Implement loading Workflow from a file to buildworkflow (#86) (@singularitti) - Support writing StepRange in config file (#88) (@singularitti) - Use @vecunit to rewrite Pressures & Volumes (#89) (@singularitti) - Add LegibleLambdas.@λ to buildjobs (#91) (@singularitti) - Rewrite Pressures, Volumes, Temperatures, SampledTemperatures & SampledPressures using @vecunit (#94) (@singularitti) - Redefine @vecunit to @unit_vec_opt (#95) (@singularitti) - Fix some types in Qha.jl (#96) (@singularitti) - Update deps (#97) (@singularitti) - Restyle Update deps (#98) (@restyled-io[bot]) - Update template files (#99) (@singularitti) - CompatHelper: add new compat entry for "Compat" at version "3" (#100) (@github-actions[bot]) - CompatHelper: add new compat entry for "UrlDownload" at version "1" (#101) (@github-actions[bot]) - CompatHelper: add new compat entry for "EquationsOfStateOfSolids" at version "0.1" (#102) (@github-actions[bot]) - CompatHelper: add new compat entry for "LegibleLambdas" at version "0.3" (#103) (@github-actions[bot]) - CompatHelper: add new compat entry for "Configurations" at version "0.16" (#104) (@github-actions[bot]) - CompatHelper: add new compat entry for "Unitful" at version "1" (#105) (@github-actions[bot]) - CompatHelper: add new compat entry for "UnitfulAtomic" at version "1" (#106) (@github-actions[bot]) - CompatHelper: add new compat entry for "Mustache" at version "1" (#107) (@github-actions[bot]) - CompatHelper: add new compat entry for "AbInitioSoftwareBase" at version "0.2" (#108) (@github-actions[bot]) - CompatHelper: add new compat entry for "Setfield" at version "0.7" (#109) (@github-actions[bot]) - CompatHelper: add new compat entry for "CrystallographyBase" at version "0.1" (#110) (@github-actions[bot]) - Update imports (#111) (@singularitti) - Fix module names (#112) (@singularitti) - Restyle Fix module names (#113) (@restyled-io[bot]) - CompatHelper: add new compat entry for "Crystallography" at version "0.2" (#114) (@github-actions[bot]) - Rename some types (#115) (@singularitti) - Move buildworkflow to EquationOfStateWorkflow.Recipes (#116) (@singularitti) - CompatHelper: add new compat entry for "SimpleWorkflows" at version "0.2" (#117) (@github-actions[bot]) - CompatHelper: bump compat for "AbInitioSoftwareBase" to "0.3" (#118) (@github-actions[bot]) - CompatHelper: bump compat for "Crystallography" to "0.3" (#119) (@github-actions[bot]) - Update buildworkflow (#120) (@singularitti) - Rewrite src/EquationOfStateWorkflow/Config.jl (#121) (@singularitti) - Update module EquationOfStateWorkflow (#122) (@singularitti) - CompatHelper: add new compat entry for "Formatting" at version "0.4" (#123) (@github-actions[bot]) - Rewrite buildworkflow using SimpleWorkflows.jl v0.4.0 (#124) (@singularitti) - Use buildjob in buildworkflow (#125) (@singularitti) - Deprecate loadconfig & add ExpandConfig (#126) (@singularitti) - Remove unused GetData in buildworkflow (#127) (@singularitti) - Fix buildjob for FitEos & MakeInput (#128) (@singularitti) - Fix input & output file names & saved file names (#129) (@singularitti) - Simplify buildworkflow using ▷, ⋲, ⋺ (#130) (@singularitti)

- Julia
Published by github-actions[bot] almost 5 years ago