diff --git a/CADETMatch.egg-info/PKG-INFO b/CADETMatch.egg-info/PKG-INFO deleted file mode 100644 index ce1ac7b..0000000 --- a/CADETMatch.egg-info/PKG-INFO +++ /dev/null @@ -1,26 +0,0 @@ -Metadata-Version: 2.1 -Name: CADETMatch -Version: 0.5.48 -Summary: CADETMatch is a parameter estimation and error modeling library for CADET -Home-page: https://github.com/modsim/CADET-Match -Author: William Heymann -Author-email: w.heymann@fz-juelich.de -License: UNKNOWN -Description: # CADET-Match - CADET Parameter estimation engine - - This software is a work in progress. The file formats will break as changes as made. - - This software is designed to do parameter estimation for CADET. The required libraries are in the README.txt file - in the CADETMatch directory. - - The documentation is also a work in progress. - - If you use this software in your research please give credit. - -Platform: UNKNOWN -Classifier: Programming Language :: Python :: 3 -Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3) -Classifier: Operating System :: OS Independent -Requires-Python: >=3.6 -Description-Content-Type: text/markdown diff --git a/CADETMatch.egg-info/SOURCES.txt b/CADETMatch.egg-info/SOURCES.txt deleted file mode 100644 index 1a411fa..0000000 --- a/CADETMatch.egg-info/SOURCES.txt +++ /dev/null @@ -1,89 +0,0 @@ -README.md -setup.cfg -setup.py -CADETMatch/__init__.py -CADETMatch/__main__.py -CADETMatch/cache.py -CADETMatch/calc_coeff.py -CADETMatch/checkpoint_algorithms.py -CADETMatch/code_test.py -CADETMatch/de.py -CADETMatch/de_snooker.py -CADETMatch/evo.py -CADETMatch/fitness.py -CADETMatch/ga_simple.py -CADETMatch/generate_autocorr_graphs.py -CADETMatch/generate_corner_graphs.py -CADETMatch/generate_graphs.py -CADETMatch/gradFD.py -CADETMatch/graph_kde.py -CADETMatch/graph_spearman.py -CADETMatch/jacobian.py -CADETMatch/jupyter.py -CADETMatch/kde_generator.py -CADETMatch/loggerwriter.py -CADETMatch/match.py -CADETMatch/mcmc_plot_tube.py -CADETMatch/mle.py -CADETMatch/modEnsemble.py -CADETMatch/pareto.py -CADETMatch/plugins.py -CADETMatch/score.py -CADETMatch/score_calc.py -CADETMatch/similarityDecay.py -CADETMatch/smoothing.py -CADETMatch/stretch.py -CADETMatch/synthetic_error.py -CADETMatch/util.py -CADETMatch/version.py -CADETMatch/video_spearman.py -CADETMatch.egg-info/PKG-INFO -CADETMatch.egg-info/SOURCES.txt -CADETMatch.egg-info/dependency_links.txt -CADETMatch.egg-info/requires.txt -CADETMatch.egg-info/top_level.txt -CADETMatch/abstract/__init__.py -CADETMatch/abstract/transform.py -CADETMatch/scores/__init__.py -CADETMatch/scores/absoluteHeight.py -CADETMatch/scores/absoluteTime.py -CADETMatch/scores/ceiling.py -CADETMatch/scores/curve.py -CADETMatch/scores/dextranSSE.py -CADETMatch/scores/dextranShape.py -CADETMatch/scores/fractionationSSE.py -CADETMatch/scores/fractionationSlide.py -CADETMatch/scores/logsse.py -CADETMatch/scores/shape.py -CADETMatch/scores/shapeBack.py -CADETMatch/scores/shapeDecay.py -CADETMatch/scores/shapeDecayNoDer.py -CADETMatch/scores/shapeDecaySimple.py -CADETMatch/scores/shapeFront.py -CADETMatch/scores/shapeNoDer.py -CADETMatch/scores/shapeOnly.py -CADETMatch/scores/shapeSimple.py -CADETMatch/scores/similarity.py -CADETMatch/scores/similarityDecay.py -CADETMatch/scores/sse.py -CADETMatch/scores/width.py -CADETMatch/search/__init__.py -CADETMatch/search/gradient.py -CADETMatch/search/graphSpace.py -CADETMatch/search/mcmc.py -CADETMatch/search/multistart.py -CADETMatch/search/nsga3.py -CADETMatch/search/scoretest.py -CADETMatch/transform/__init__.py -CADETMatch/transform/norm.py -CADETMatch/transform/norm_add.py -CADETMatch/transform/norm_diameter.py -CADETMatch/transform/norm_keq.py -CADETMatch/transform/norm_linear.py -CADETMatch/transform/norm_log.py -CADETMatch/transform/norm_mult.py -CADETMatch/transform/norm_nu_sigma.py -CADETMatch/transform/norm_volume_area.py -CADETMatch/transform/norm_volume_length.py -CADETMatch/transform/set_value.py -CADETMatch/transform/sum.py \ No newline at end of file diff --git a/CADETMatch.egg-info/dependency_links.txt b/CADETMatch.egg-info/dependency_links.txt deleted file mode 100644 index 8b13789..0000000 --- a/CADETMatch.egg-info/dependency_links.txt +++ /dev/null @@ -1 +0,0 @@ - diff --git a/CADETMatch.egg-info/requires.txt b/CADETMatch.egg-info/requires.txt deleted file mode 100644 index f6750d4..0000000 --- a/CADETMatch.egg-info/requires.txt +++ /dev/null @@ -1,18 +0,0 @@ -joblib>=0.15.1 -addict>=2.2.1 -emcee>=3.0.2 -SAlib -corner>=2.0.1 -deap>=1.3.0 -psutil>=5.7.0 -openpyxl>=3.0.3 -numpy>=1.18.5 -scipy>=1.5.0 -matplotlib>=3.2.1 -pandas>=1.0.5 -h5py>=2.10.0 -CADET>=0.4 -seaborn>=0.10.1 -sklearn -scikit-learn>=0.23.1 -importlib-metadata>=1.7.0 diff --git a/CADETMatch.egg-info/top_level.txt b/CADETMatch.egg-info/top_level.txt deleted file mode 100644 index 83fb8d3..0000000 --- a/CADETMatch.egg-info/top_level.txt +++ /dev/null @@ -1 +0,0 @@ -CADETMatch diff --git a/CADETMatch/version.py b/CADETMatch/version.py index 50cbff8..df65e62 100644 --- a/CADETMatch/version.py +++ b/CADETMatch/version.py @@ -16,5 +16,5 @@ __email__ = "w.heymann@fz-juelich.de" __license__ = "GNU General Public License v3 (GPLv3)" __copyright__ = "2020 %s" % __author__ -__version__ = "0.5.48" +__version__ = "0.5.49" __uri__ = "https://github.com/modsim/CADET-Match" diff --git a/MANIFEST b/MANIFEST deleted file mode 100644 index b72bd97..0000000 --- a/MANIFEST +++ /dev/null @@ -1,112 +0,0 @@ -# file GENERATED by distutils, do NOT edit -setup.cfg -setup.py -CADETMatch\autocorr.py -CADETMatch\cache.py -CADETMatch\cadet.py -CADETMatch\calc_coeff.py -CADETMatch\checkpoint_algorithms.py -CADETMatch\evo.py -CADETMatch\fitness.py -CADETMatch\generate_corner_graphs.py -CADETMatch\generate_graphs.py -CADETMatch\grad.py -CADETMatch\gradFD.py -CADETMatch\graph_spearman.py -CADETMatch\jacobian.py -CADETMatch\jupyter.py -CADETMatch\kde_generator.py -CADETMatch\loggerwriter.py -CADETMatch\match.py -CADETMatch\mcmc_plot_tube.py -CADETMatch\mle.py -CADETMatch\modEnsemble.py -CADETMatch\nsga2_simple.py -CADETMatch\nsga3_selection.py -CADETMatch\pareto.py -CADETMatch\plugins.py -CADETMatch\score.py -CADETMatch\similarityDecay.py -CADETMatch\synthetic_error.py -CADETMatch\util.py -CADETMatch\video_spearman.py -CADETMatch\scores\__init__.py -CADETMatch\scores\absoluteHeight.py -CADETMatch\scores\absoluteTime.py -CADETMatch\scores\breakthrough.py -CADETMatch\scores\breakthroughCross.py -CADETMatch\scores\breakthroughHybrid.py -CADETMatch\scores\breakthroughHybrid2.py -CADETMatch\scores\curve.py -CADETMatch\scores\derivative_similarity.py -CADETMatch\scores\derivative_similarity_cross.py -CADETMatch\scores\derivative_similarity_hybrid.py -CADETMatch\scores\derivative_similarity_hybrid2.py -CADETMatch\scores\derivative_similarity_hybrid2_spline.py -CADETMatch\scores\dextran.py -CADETMatch\scores\dextran3.py -CADETMatch\scores\dextranAngle.py -CADETMatch\scores\dextranHybrid.py -CADETMatch\scores\dextranHybrid2.py -CADETMatch\scores\dextranHybrid2_spline.py -CADETMatch\scores\dextranQuad.py -CADETMatch\scores\dextranSSE.py -CADETMatch\scores\dextranShape.py -CADETMatch\scores\dextranTest.py -CADETMatch\scores\dextran_original.py -CADETMatch\scores\dextran_spline.py -CADETMatch\scores\fractionation.py -CADETMatch\scores\fractionationCombine.py -CADETMatch\scores\fractionationMeanVariance.py -CADETMatch\scores\fractionationMoment.py -CADETMatch\scores\fractionationSSE.py -CADETMatch\scores\fractionationSlide.py -CADETMatch\scores\logsse.py -CADETMatch\scores\shape.py -CADETMatch\scores\shapeDecay.py -CADETMatch\scores\shapeDecaySimple.py -CADETMatch\scores\shapeOnly.py -CADETMatch\scores\shapeSimple.py -CADETMatch\scores\similarity.py -CADETMatch\scores\similarityCross.py -CADETMatch\scores\similarityCrossDecay.py -CADETMatch\scores\similarityDecay.py -CADETMatch\scores\similarityHybrid.py -CADETMatch\scores\similarityHybrid2.py -CADETMatch\scores\similarityHybrid2_spline.py -CADETMatch\scores\similarityHybridDecay.py -CADETMatch\scores\similarityHybridDecay2.py -CADETMatch\scores\similarityHybridDecay2Spline.py -CADETMatch\scores\sse.py -CADETMatch\scores\width.py -CADETMatch\search\__init__.py -CADETMatch\search\graphSpace.py -CADETMatch\search\mcmc.py -CADETMatch\search\multistart.py -CADETMatch\search\nsga2.py -CADETMatch\search\nsga2_improved.py -CADETMatch\search\nsga3.py -CADETMatch\search\nsga3_deap.py -CADETMatch\search\nsga3_improved.py -CADETMatch\search\nsga3_strategy.py -CADETMatch\search\scoretest.py -CADETMatch\search\spea2.py -CADETMatch\search\spea2_improved.py -CADETMatch\transform\diameter.py -CADETMatch\transform\keq.py -CADETMatch\transform\linear.py -CADETMatch\transform\log.py -CADETMatch\transform\norm.py -CADETMatch\transform\norm_diameter.py -CADETMatch\transform\norm_keq.py -CADETMatch\transform\norm_linear.py -CADETMatch\transform\norm_log.py -CADETMatch\transform\norm_nu_sigma.py -CADETMatch\transform\norm_volume_area.py -CADETMatch\transform\norm_volume_length.py -CADETMatch\transform\nu_sigma.py -CADETMatch\transform\null.py -CADETMatch\transform\set_value.py -CADETMatch\transform\sum.py -CADETMatch\transform\volume_area.py -CADETMatch\transform\volume_length.py diff --git a/setup.py b/setup.py index 9c14184..1bdffcf 100644 --- a/setup.py +++ b/setup.py @@ -21,7 +21,7 @@ 'emcee>=3.0.2', 'SAlib', 'corner>=2.0.1', - 'deap>=1.3.0', + 'deap>=1.3.1', 'psutil>=5.7.0', 'openpyxl>=3.0.3', 'numpy>=1.18.5',