Clophfit

- Update deps for notebooks.

- Add zenodo.

Fixed

- Removed :math: directive from README.rst and plantuml.

Fixed

- warning for keys_unk set used as index in pd.

Added

- Tecan file parser.
- Import fit_titrations scripts with many test data.
- usage.org (exported to .rst) serves as tutorial in docs and includes:
- liaisan-data
- new-bootstrap
- lmfit global
- emcee (extremely slow)
- command `clop`.
- (docs) usage.org.
- Adopt pre-commit, poetry and nox.
- <https://pypi.org/project/readme-renderer/> in lint.
- (build) Github actions.

Changed

- Update to python 3.9 and 3.10.
- Update dependencies:

poetry show --outdated

with required minor changes in old scripts.

- nox-poetry.
- pandas.rpy (\<=0.19) now lives in rpy2.

- Update to python 3.6.
- Py.test for:
- `fit_titration.py`
- `fit_titration_global.py`
- lmfit==0.8.3 to prevent `fit-titration_global.py` to fail.
- [\_tmpoutput]{.title-ref} is not deleted; watch out for false positive.

- Reference for running older scripts; reproducibility thanks to
[Poetry](https://python-poetry.org) and
[Pyenv](https://github.com/pyenv/pyenv):

LDFLAGS=-L/usr/lib/openssl-1.0/ CFLAGS=-I/usr/include/openssl-1.0/ \
pyenv install 3.4.10
++CONFIGURE_OPTS="--without-ensurepip" pyenv install 3.5.8++
CC=clang pyenv install 3.5.10
poetry env use 3.5
poetry install
.. fit_titration.py Meas/A04\ Cl_A.csv NTT-A04-Cl_note -t cl -d output-enspire
.. fit_titration_global.py D05.dat output-D05 --boot 99
.. fit_titration_global.py -t cl --boot 999 B05-20130628-cor.dat output-B05

- Note that `fit_rpy.py` did never work (indeed did not use !/usr/bin/env
python).

- Tested dependencies for `fit_titration` (without warnings):

cycler 0.10.0 Composable style cycles
lmfit 0.8.3 Least-Squares Minimization with Bounds and Constraints
matplotlib 1.5.3 Python plotting package
numpy 1.10.4 NumPy: array processing for numbers, strings, …
pandas 0.18.1 Powerful data structures for data analysis, …
pyparsing 2.4.7 Python parsing module
python-dateutil 2.8.1 Extensions to the standard Python datetime module
pytz 2021.3 World timezone definitions, modern and historical
rpy2 2.3.10 Python interface to the R language (embedded R)
scipy 0.18.1 SciPy: Scientific Library for Python
seaborn 0.7.1 Seaborn: statistical data visualization
six 1.16.0 Python 2 and 3 compatibility utilities