update dependencies

atomic-features-package @ 7dda7a91

-Subproject commit b59db5580e079c6de0a1ff76b8ff59dd71e885db
+Subproject commit 7dda7a911e99b87c4470f01d619664e39f56dd9c

cmlkit @ 3ce44fd3

-Subproject commit ccdde6e67dc441c3d84e2f95c607e5018000f4cb
+Subproject commit 3ce44fd3933c17d567fbf783fa784b2b6c98ba7c

test.txt

+pip-compile \
+  ./tutorials/analytics-arise/setup.py \
+  ./tutorials/analytics-atomic-features/setup.py \
+  ./tutorials/analytics-catalysis-MRS2021/setup.py \
+  ./tutorials/analytics-clustering-tutorial/setup.py \
+  ./tutorials/analytics-cmlkit/setup.py \
+  ./tutorials/analytics-co2-sgd-tutorial/setup.py \
+  ./tutorials/analytics-compressed-sensing/setup.py \
+  ./tutorials/analytics-convolutional-nn/setup.py \
+  ./tutorials/analytics-decision-tree/setup.py \
+  ./tutorials/analytics-descriptor-role/setup.py \
+  ./tutorials/analytics-dimensionality-reduction/setup.py \
+  ./tutorials/analytics-domain-of-applicability/setup.py \
+  ./tutorials/analytics-dos-similarity-search/setup.py \
+  ./tutorials/analytics-error-estimates/setup.py \
+  ./tutorials/analytics-exploratory-analysis/setup.py \
+  ./tutorials/analytics-gap-si-surface/setup.py \
+  ./tutorials/analytics-grain-boundaries/setup.py \
+  ./tutorials/analytics-kaggle-competition/setup.py \
+  ./tutorials/analytics-kappa-screening-sisso/setup.py \
+  ./tutorials/analytics-krr4mat/setup.py \
+  ./tutorials/analytics-metalInsulator-PRM2018/setup.py \
+  ./tutorials/analytics-nn-regression/setup.py \
+  ./tutorials/analytics-perovskites-tolerance-factor/setup.py \
+  ./tutorials/analytics-proto-archetype-clustering-sisso/setup.py \
+  ./tutorials/analytics-query-nomad-archive/setup.py \
+  ./tutorials/analytics-sgd-alloys-oxygen-reduction-evolution/setup.py \
+  ./tutorials/analytics-sgd-propylene-oxidation-hte/setup.py \
+  ./tutorials/analytics-soap-atomic-charges/setup.py \
+  ./tutorials/analytics-svm-classification/setup.py \
+  ./tutorials/analytics-tcmi/setup.py \
+  ./tutorials/analytics-tetradymite-PRM2020/setup.py \
+  --output-file requirements.txt
+
+
+pip-compile \
+  ./3rdparty/atomic-features-package/setup.py \
+  ./3rdparty/cmlkit/pyproject.toml \
+  ./3rdparty/keras-vis/setup.py \
+  ./3rdparty/pysisso/setup.py \
+  ./3rdparty/sissopp/setup.py
+
+
+pip-compile ./3rdparty/nomad-FAIR/setup.py
+pip-compile ./3rdparty/qmmlpack/
+pip-compile ./3rdparty/quip/quippy/setup.py
+
+
+pip-compile \
+  ./tutorials/analytics-arise/setup.py \
+  ./tutorials/analytics-atomic-features/setup.py \
+  ./tutorials/analytics-catalysis-MRS2021/setup.py \
+  ./tutorials/analytics-clustering-tutorial/setup.py \
+  ./tutorials/analytics-cmlkit/setup.py \
+  ./tutorials/analytics-co2-sgd-tutorial/setup.py \
+  ./tutorials/analytics-compressed-sensing/setup.py \
+  ./tutorials/analytics-convolutional-nn/setup.py \
+  ./tutorials/analytics-decision-tree/setup.py \
+  ./tutorials/analytics-descriptor-role/setup.py \
+  ./tutorials/analytics-dimensionality-reduction/setup.py \
+  ./tutorials/analytics-domain-of-applicability/setup.py \
+  ./tutorials/analytics-dos-similarity-search/setup.py \
+  ./tutorials/analytics-error-estimates/setup.py \
+  ./tutorials/analytics-exploratory-analysis/setup.py \
+  ./tutorials/analytics-gap-si-surface/setup.py \
+  ./tutorials/analytics-grain-boundaries/setup.py \
+  ./tutorials/analytics-kaggle-competition/setup.py \
+  ./tutorials/analytics-kappa-screening-sisso/setup.py \
+  ./tutorials/analytics-krr4mat/setup.py \
+  ./tutorials/analytics-metalInsulator-PRM2018/setup.py \
+  ./tutorials/analytics-nn-regression/setup.py \
+  ./tutorials/analytics-perovskites-tolerance-factor/setup.py \
+  ./tutorials/analytics-proto-archetype-clustering-sisso/setup.py \
+  ./tutorials/analytics-query-nomad-archive/setup.py \
+  ./tutorials/analytics-sgd-alloys-oxygen-reduction-evolution/setup.py \
+  ./tutorials/analytics-sgd-propylene-oxidation-hte/setup.py \
+  ./tutorials/analytics-soap-atomic-charges/setup.py \
+  ./tutorials/analytics-svm-classification/setup.py \
+  ./tutorials/analytics-tcmi/setup.py \
+  ./tutorials/analytics-tetradymite-PRM2020/setup.py \
+  ./3rdparty/atomic-features-package/pyproject.toml \
+  ./3rdparty/cmlkit/pyproject.toml \
+  ./3rdparty/keras-vis/setup.py \
+  ./3rdparty/pysisso/setup.py \
+  ./3rdparty/sissopp/setup.py \
+  --output-file requirements.txt
+
+

analytics-atomic-features @ 07d28bc2

-Subproject commit c5ea4527c64bc1645af81f5ac1d742219d727164
+Subproject commit 07d28bc2179482d65ca7fd245b1cfd649aadbdcd