From bb55941297c301c17d9f38abeedaafd56453354c Mon Sep 17 00:00:00 2001 From: Adam Fekete <adam@fekete.co.uk> Date: Fri, 18 Nov 2022 15:45:22 +0100 Subject: [PATCH] update dependencies --- 3rdparty/atomic-features-package | 2 +- 3rdparty/cmlkit | 2 +- test.txt | 88 +++++++++++++++++++++++++++++ tutorials/analytics-atomic-features | 2 +- 4 files changed, 91 insertions(+), 3 deletions(-) create mode 100644 test.txt diff --git a/3rdparty/atomic-features-package b/3rdparty/atomic-features-package index b59db558..7dda7a91 160000 --- a/3rdparty/atomic-features-package +++ b/3rdparty/atomic-features-package @@ -1 +1 @@ -Subproject commit b59db5580e079c6de0a1ff76b8ff59dd71e885db +Subproject commit 7dda7a911e99b87c4470f01d619664e39f56dd9c diff --git a/3rdparty/cmlkit b/3rdparty/cmlkit index ccdde6e6..3ce44fd3 160000 --- a/3rdparty/cmlkit +++ b/3rdparty/cmlkit @@ -1 +1 @@ -Subproject commit ccdde6e67dc441c3d84e2f95c607e5018000f4cb +Subproject commit 3ce44fd3933c17d567fbf783fa784b2b6c98ba7c diff --git a/test.txt b/test.txt new file mode 100644 index 00000000..871ed957 --- /dev/null +++ b/test.txt @@ -0,0 +1,88 @@ +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 + + diff --git a/tutorials/analytics-atomic-features b/tutorials/analytics-atomic-features index c5ea4527..07d28bc2 160000 --- a/tutorials/analytics-atomic-features +++ b/tutorials/analytics-atomic-features @@ -1 +1 @@ -Subproject commit c5ea4527c64bc1645af81f5ac1d742219d727164 +Subproject commit 07d28bc2179482d65ca7fd245b1cfd649aadbdcd -- GitLab