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Update ChangeLog

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q-posev 2022-01-26 14:00:39 +01:00
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CHANGES
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2.2
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- Added `TREXIO_AUTO` back end for read-only mode (`r`) in PR #80
- Added unsafe mode (`u`) to `trexio_open`. When enabled, data can be
overwritten (using conventional `trexio_write`) and groups can be deleted
(using new set of `trexio_delete_[group]` functions). Also added `unsafe`
attribute to the `metadata` group to indicate that the file might be
inconsistent. See PR #79
- Added `trexio_info` function (prints basic info about the library) in PR #78
- Added `trexio_inquire` function (checks validity of TREXIO files) in PR #75
- Fixed ISO_C_BINDING types in the Fortran API (`trexio_f.f90`) in PR #74 and #77
- Fixed code generation and some missing dependencies in CMake in PR #74
- Fixed portability issue with sed on MacOS so that `make python-install` works
- Clean `docs` folder only in the maintainer mode
2.1
---
- Automatic maintainer mode in PR #66
- Optional compilation without HDF5 in PR #67
- Support for CMake build-system and GNU Guix package management in PR #69
- Add sparse datasets (e.g. for RDMs and 2e ERIs) in PR #70
- Add Python API for sparse datasets in PR #71
- Automate build and upload of CPython wheels in PR #72
- Documentation: changed ordering of AOs in spherical basis
2.0
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