feat(con): use readcon#307

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HaoZeke wants to merge 22 commits intoTheochemUI:mainfrom

HaoZeke:feat-readcon

Commits on Feb 26, 2026

feat(readcon): replace con2matter FILE* parser with readcon-core
HaoZeke
committed
feat(con): replace all FILE* con I/O with readcon-core v0.4.1
HaoZeke
committed
refactor(con): remove FILE* usage from all con I/O call sites
HaoZeke
committed
refactor: replace FILE*/fprintf with fmt::output_file across all Job files
HaoZeke
committed
ci(chore): fixup
HaoZeke
committed
chore(deps): update
HaoZeke
committed
style: apply clang-format to modified C++ files
HaoZeke
committed
feat(py): replace fileio con I/O with readcon package
HaoZeke
committed
bld: replace PDM with uv for dependency management
HaoZeke
committed
fix(ci): resolve pixi task redirect, benchmark main, docs uv
HaoZeke
committed
docs: update confile design docs and install guide
HaoZeke
committed
perf(deps): update readcon-core to v0.4.3
HaoZeke
committed
fix(ci): regenerate uv.lock without pytorch extra-index
HaoZeke
committed
docs: update docbuild for uv, document extra-index pitfall
HaoZeke
committed
fix(ci): install build deps before no-isolation pip install, update devdocs
HaoZeke
committed
fix(ci): use PYTHONPATH instead of pip install for docs build
HaoZeke
committed
fix(deps): use commit hash in readcon-core.wrap for shallow clone
HaoZeke
committed
fix(ci): pass --no-project to uv run in docs build
HaoZeke
committed
fix(ci): use shell: bash for cbindgen install across all workflows
HaoZeke
committed
docs: add towncrier fragments for readcon migration and uv switch
HaoZeke
committed
fix(ci): docs use .venv/bin/sphinx-build, update readcon-core wrap
HaoZeke
committed
fix(ci): partial_dependency for readcon, pixi-native docs build
HaoZeke
committed

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feat(con): use readcon#307

feat(con): use readcon#307
HaoZeke wants to merge 22 commits intoTheochemUI:mainfrom
HaoZeke:feat-readcon

Commits on Feb 26, 2026

feat(readcon): replace con2matter FILE* parser with readcon-core

feat(con): replace all FILE* con I/O with readcon-core v0.4.1

refactor(con): remove FILE* usage from all con I/O call sites

refactor: replace FILE*/fprintf with fmt::output_file across all Job files

ci(chore): fixup

chore(deps): update

style: apply clang-format to modified C++ files

feat(py): replace fileio con I/O with readcon package

bld: replace PDM with uv for dependency management

fix(ci): resolve pixi task redirect, benchmark main, docs uv

docs: update confile design docs and install guide

perf(deps): update readcon-core to v0.4.3

fix(ci): regenerate uv.lock without pytorch extra-index

docs: update docbuild for uv, document extra-index pitfall

fix(ci): install build deps before no-isolation pip install, update devdocs

fix(ci): use PYTHONPATH instead of pip install for docs build

fix(deps): use commit hash in readcon-core.wrap for shallow clone

fix(ci): pass --no-project to uv run in docs build

fix(ci): use shell: bash for cbindgen install across all workflows

docs: add towncrier fragments for readcon migration and uv switch

fix(ci): docs use .venv/bin/sphinx-build, update readcon-core wrap

fix(ci): partial_dependency for readcon, pixi-native docs build