diff --git a/Manifest.toml b/Manifest.toml index d0dc6b5..acaf912 100644 --- a/Manifest.toml +++ b/Manifest.toml @@ -1,1332 +1,1188 @@ # This file is machine-generated - editing it directly is not advised -[[ANSIColoredPrinters]] +julia_version = "1.8.0" +manifest_format = "2.0" +project_hash = "e3fa281521c6759c55708867bbbf42397b0fb2b8" + +[[deps.ANSIColoredPrinters]] git-tree-sha1 = "574baf8110975760d391c710b6341da1afa48d8c" uuid = "a4c015fc-c6ff-483c-b24f-f7ea428134e9" version = "0.0.1" -[[ATK_jll]] -deps = ["Artifacts", "Glib_jll", "JLLWrappers", "Libdl"] -git-tree-sha1 = "a2ecb68d240333fe63bea1965b71884e98c2d0f0" -uuid = "7b86fcea-f67b-53e1-809c-8f1719c154e8" -version = "2.38.0+0" - -[[AbstractTrees]] +[[deps.AbstractTrees]] git-tree-sha1 = "03e0550477d86222521d254b741d470ba17ea0b5" uuid = "1520ce14-60c1-5f80-bbc7-55ef81b5835c" version = "0.3.4" -[[Adapt]] +[[deps.Adapt]] deps = ["LinearAlgebra", "Requires"] git-tree-sha1 = "76289dc51920fdc6e0013c872ba9551d54961c24" uuid = "79e6a3ab-5dfb-504d-930d-738a2a938a0e" version = "3.6.2" -[[ArgTools]] +[[deps.ArgTools]] uuid = "0dad84c5-d112-42e6-8d28-ef12dabb789f" version = "1.1.1" -[[Artifacts]] +[[deps.Artifacts]] uuid = "56f22d72-fd6d-98f1-02f0-08ddc0907c33" -[[AxisAlgorithms]] +[[deps.AxisAlgorithms]] deps = ["LinearAlgebra", "Random", "SparseArrays", "WoodburyMatrices"] git-tree-sha1 = "66771c8d21c8ff5e3a93379480a2307ac36863f7" uuid = "13072b0f-2c55-5437-9ae7-d433b7a33950" version = "1.0.1" -[[Base64]] +[[deps.Base64]] uuid = "2a0f44e3-6c83-55bd-87e4-b1978d98bd5f" -[[BenchmarkTools]] +[[deps.BenchmarkTools]] deps = ["JSON", "Logging", "Printf", "Profile", "Statistics", "UUIDs"] git-tree-sha1 = "d9a9701b899b30332bbcb3e1679c41cce81fb0e8" uuid = "6e4b80f9-dd63-53aa-95a3-0cdb28fa8baf" version = "1.3.2" -[[BitFlags]] +[[deps.BitFlags]] git-tree-sha1 = "43b1a4a8f797c1cddadf60499a8a077d4af2cd2d" uuid = "d1d4a3ce-64b1-5f1a-9ba4-7e7e69966f35" version = "0.1.7" -[[Bzip2_jll]] +[[deps.Bzip2_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg"] git-tree-sha1 = "19a35467a82e236ff51bc17a3a44b69ef35185a2" uuid = "6e34b625-4abd-537c-b88f-471c36dfa7a0" version = "1.0.8+0" -[[Cairo]] -deps = ["Cairo_jll", "Colors", "Glib_jll", "Graphics", "Libdl", "Pango_jll"] -git-tree-sha1 = "d0b3f8b4ad16cb0a2988c6788646a5e6a17b6b1b" -uuid = "159f3aea-2a34-519c-b102-8c37f9878175" -version = "1.0.5" - -[[Cairo_jll]] +[[deps.Cairo_jll]] deps = ["Artifacts", "Bzip2_jll", "CompilerSupportLibraries_jll", "Fontconfig_jll", "FreeType2_jll", "Glib_jll", "JLLWrappers", "LZO_jll", "Libdl", "Pixman_jll", "Pkg", "Xorg_libXext_jll", "Xorg_libXrender_jll", "Zlib_jll", "libpng_jll"] git-tree-sha1 = "4b859a208b2397a7a623a03449e4636bdb17bcf2" uuid = "83423d85-b0ee-5818-9007-b63ccbeb887a" version = "1.16.1+1" -[[ChainRulesCore]] +[[deps.ChainRulesCore]] deps = ["Compat", "LinearAlgebra", "SparseArrays"] git-tree-sha1 = "e30f2f4e20f7f186dc36529910beaedc60cfa644" uuid = "d360d2e6-b24c-11e9-a2a3-2a2ae2dbcce4" version = "1.16.0" -[[ChangesOfVariables]] +[[deps.ChangesOfVariables]] deps = ["InverseFunctions", "LinearAlgebra", "Test"] git-tree-sha1 = "2fba81a302a7be671aefe194f0525ef231104e7f" uuid = "9e997f8a-9a97-42d5-a9f1-ce6bfc15e2c0" version = "0.1.8" -[[CodecZlib]] +[[deps.CodecZlib]] deps = ["TranscodingStreams", "Zlib_jll"] git-tree-sha1 = "9c209fb7536406834aa938fb149964b985de6c83" uuid = "944b1d66-785c-5afd-91f1-9de20f533193" version = "0.7.1" -[[ColorSchemes]] +[[deps.ColorSchemes]] deps = ["ColorTypes", "ColorVectorSpace", "Colors", "FixedPointNumbers", "PrecompileTools", "Random"] git-tree-sha1 = "be6ab11021cd29f0344d5c4357b163af05a48cba" uuid = "35d6a980-a343-548e-a6ea-1d62b119f2f4" version = "3.21.0" -[[ColorTypes]] +[[deps.ColorTypes]] deps = ["FixedPointNumbers", "Random"] git-tree-sha1 = "eb7f0f8307f71fac7c606984ea5fb2817275d6e4" uuid = "3da002f7-5984-5a60-b8a6-cbb66c0b333f" version = "0.11.4" -[[ColorVectorSpace]] +[[deps.ColorVectorSpace]] deps = ["ColorTypes", "FixedPointNumbers", "LinearAlgebra", "SpecialFunctions", "Statistics", "TensorCore"] git-tree-sha1 = "600cc5508d66b78aae350f7accdb58763ac18589" uuid = "c3611d14-8923-5661-9e6a-0046d554d3a4" version = "0.9.10" -[[Colors]] +[[deps.Colors]] deps = ["ColorTypes", "FixedPointNumbers", "Reexport"] git-tree-sha1 = "fc08e5930ee9a4e03f84bfb5211cb54e7769758a" uuid = "5ae59095-9a9b-59fe-a467-6f913c188581" version = "0.12.10" -[[Compat]] +[[deps.Compat]] deps = ["Dates", "LinearAlgebra", "UUIDs"] git-tree-sha1 = "4e88377ae7ebeaf29a047aa1ee40826e0b708a5d" uuid = "34da2185-b29b-5c13-b0c7-acf172513d20" version = "4.7.0" -[[CompilerSupportLibraries_jll]] +[[deps.CompilerSupportLibraries_jll]] deps = ["Artifacts", "Libdl"] uuid = "e66e0078-7015-5450-92f7-15fbd957f2ae" version = "0.5.2+0" -[[ConcurrentUtilities]] +[[deps.ConcurrentUtilities]] deps = ["Serialization", "Sockets"] git-tree-sha1 = "96d823b94ba8d187a6d8f0826e731195a74b90e9" uuid = "f0e56b4a-5159-44fe-b623-3e5288b988bb" version = "2.2.0" -[[Configurations]] +[[deps.Configurations]] deps = ["ExproniconLite", "OrderedCollections", "TOML"] git-tree-sha1 = "62a7c76dbad02fdfdaa53608104edf760938c4ca" uuid = "5218b696-f38b-4ac9-8b61-a12ec717816d" version = "0.17.4" -[[ConstructionBase]] +[[deps.ConstructionBase]] deps = ["LinearAlgebra"] git-tree-sha1 = "738fec4d684a9a6ee9598a8bfee305b26831f28c" uuid = "187b0558-2788-49d3-abe0-74a17ed4e7c9" version = "1.5.2" -[[Contour]] +[[deps.Contour]] git-tree-sha1 = "d05d9e7b7aedff4e5b51a029dced05cfb6125781" uuid = "d38c429a-6771-53c6-b99e-75d170b6e991" version = "0.6.2" -[[DataAPI]] +[[deps.DataAPI]] git-tree-sha1 = "8da84edb865b0b5b0100c0666a9bc9a0b71c553c" uuid = "9a962f9c-6df0-11e9-0e5d-c546b8b5ee8a" version = "1.15.0" -[[DataStructures]] +[[deps.DataStructures]] deps = ["Compat", "InteractiveUtils", "OrderedCollections"] git-tree-sha1 = "cf25ccb972fec4e4817764d01c82386ae94f77b4" uuid = "864edb3b-99cc-5e75-8d2d-829cb0a9cfe8" version = "0.18.14" -[[DataValueInterfaces]] +[[deps.DataValueInterfaces]] git-tree-sha1 = "bfc1187b79289637fa0ef6d4436ebdfe6905cbd6" uuid = "e2d170a0-9d28-54be-80f0-106bbe20a464" version = "1.0.0" -[[Dates]] +[[deps.Dates]] deps = ["Printf"] uuid = "ade2ca70-3891-5945-98fb-dc099432e06a" -[[Dbus_jll]] -deps = ["Artifacts", "Expat_jll", "JLLWrappers", "Libdl", "Pkg"] -git-tree-sha1 = "97f1325c10bd02b1cc1882e9c2bf6407ba630ace" -uuid = "ee1fde0b-3d02-5ea6-8484-8dfef6360eab" -version = "1.12.16+3" - -[[DelimitedFiles]] +[[deps.DelimitedFiles]] deps = ["Mmap"] uuid = "8bb1440f-4735-579b-a4ab-409b98df4dab" -[[Distributed]] +[[deps.Distributed]] deps = ["Random", "Serialization", "Sockets"] uuid = "8ba89e20-285c-5b6f-9357-94700520ee1b" -[[DocStringExtensions]] +[[deps.DocStringExtensions]] deps = ["LibGit2"] git-tree-sha1 = "2fb1e02f2b635d0845df5d7c167fec4dd739b00d" uuid = "ffbed154-4ef7-542d-bbb7-c09d3a79fcae" version = "0.9.3" -[[Documenter]] +[[deps.Documenter]] deps = ["ANSIColoredPrinters", "Base64", "Dates", "DocStringExtensions", "IOCapture", "InteractiveUtils", "JSON", "LibGit2", "Logging", "Markdown", "REPL", "Test", "Unicode"] git-tree-sha1 = "39fd748a73dce4c05a9655475e437170d8fb1b67" uuid = "e30172f5-a6a5-5a46-863b-614d45cd2de4" version = "0.27.25" -[[DocumenterTools]] +[[deps.DocumenterTools]] deps = ["AbstractTrees", "Base64", "DocStringExtensions", "Documenter", "FileWatching", "Gumbo", "LibGit2", "OpenSSH_jll", "Sass"] git-tree-sha1 = "05ca46b0df7d3404921352a0032a2c37d25ce013" uuid = "35a29f4d-8980-5a13-9543-d66fff28ecb8" version = "0.1.17" -[[Downloads]] +[[deps.Downloads]] deps = ["ArgTools", "FileWatching", "LibCURL", "NetworkOptions"] uuid = "f43a241f-c20a-4ad4-852c-f6b1247861c6" version = "1.6.0" -[[ExceptionUnwrapping]] +[[deps.ExceptionUnwrapping]] deps = ["Test"] git-tree-sha1 = "e90caa41f5a86296e014e148ee061bd6c3edec96" uuid = "460bff9d-24e4-43bc-9d9f-a8973cb893f4" version = "0.1.9" -[[Expat_jll]] +[[deps.Expat_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl"] git-tree-sha1 = "4558ab818dcceaab612d1bb8c19cee87eda2b83c" uuid = "2e619515-83b5-522b-bb60-26c02a35a201" version = "2.5.0+0" -[[ExproniconLite]] +[[deps.ExproniconLite]] deps = ["Pkg", "TOML"] git-tree-sha1 = "c2eb763acf6e13e75595e0737a07a0bec0ce2147" uuid = "55351af7-c7e9-48d6-89ff-24e801d99491" version = "0.7.11" -[[FFMPEG]] +[[deps.FFMPEG]] deps = ["FFMPEG_jll"] git-tree-sha1 = "b57e3acbe22f8484b4b5ff66a7499717fe1a9cc8" uuid = "c87230d0-a227-11e9-1b43-d7ebe4e7570a" version = "0.4.1" -[[FFMPEG_jll]] +[[deps.FFMPEG_jll]] deps = ["Artifacts", "Bzip2_jll", "FreeType2_jll", "FriBidi_jll", "JLLWrappers", "LAME_jll", "Libdl", "Ogg_jll", "OpenSSL_jll", "Opus_jll", "PCRE2_jll", "Pkg", "Zlib_jll", "libaom_jll", "libass_jll", "libfdk_aac_jll", "libvorbis_jll", "x264_jll", "x265_jll"] git-tree-sha1 = "74faea50c1d007c85837327f6775bea60b5492dd" uuid = "b22a6f82-2f65-5046-a5b2-351ab43fb4e5" version = "4.4.2+2" -[[FileIO]] +[[deps.FileIO]] deps = ["Pkg", "Requires", "UUIDs"] git-tree-sha1 = 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+[[deps.Formatting]] deps = ["Printf"] git-tree-sha1 = "8339d61043228fdd3eb658d86c926cb282ae72a8" uuid = "59287772-0a20-5a39-b81b-1366585eb4c0" version = "0.4.2" -[[FreeType2_jll]] +[[deps.FreeType2_jll]] deps = ["Artifacts", "Bzip2_jll", "JLLWrappers", "Libdl", "Zlib_jll"] git-tree-sha1 = "d8db6a5a2fe1381c1ea4ef2cab7c69c2de7f9ea0" uuid = "d7e528f0-a631-5988-bf34-fe36492bcfd7" version = "2.13.1+0" -[[FriBidi_jll]] +[[deps.FriBidi_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg"] git-tree-sha1 = "aa31987c2ba8704e23c6c8ba8a4f769d5d7e4f91" uuid = "559328eb-81f9-559d-9380-de523a88c83c" version = "1.0.10+0" -[[FuzzyCompletions]] +[[deps.FuzzyCompletions]] deps = ["REPL"] git-tree-sha1 = "e16dd964b4dfaebcded16b2af32f05e235b354be" uuid = "fb4132e2-a121-4a70-b8a1-d5b831dcdcc2" version = "0.5.1" -[[GLFW_jll]] +[[deps.GLFW_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Libglvnd_jll", "Pkg", "Xorg_libXcursor_jll", "Xorg_libXi_jll", "Xorg_libXinerama_jll", "Xorg_libXrandr_jll"] git-tree-sha1 = "d972031d28c8c8d9d7b41a536ad7bb0c2579caca" uuid = "0656b61e-2033-5cc2-a64a-77c0f6c09b89" version = "3.3.8+0" -[[GR]] +[[deps.GR]] deps = ["Artifacts", "Base64", "DelimitedFiles", "Downloads", "GR_jll", "HTTP", "JSON", "Libdl", "LinearAlgebra", "Pkg", "Preferences", "Printf", "Random", "Serialization", "Sockets", "TOML", "Tar", "Test", "UUIDs", "p7zip_jll"] git-tree-sha1 = "8b8a2fd4536ece6e554168c21860b6820a8a83db" uuid = "28b8d3ca-fb5f-59d9-8090-bfdbd6d07a71" version = "0.72.7" -[[GR_jll]] +[[deps.GR_jll]] deps = ["Artifacts", "Bzip2_jll", "Cairo_jll", "FFMPEG_jll", "Fontconfig_jll", "GLFW_jll", "JLLWrappers", "JpegTurbo_jll", "Libdl", "Libtiff_jll", "Pixman_jll", "Qt5Base_jll", "Zlib_jll", "libpng_jll"] git-tree-sha1 = "19fad9cd9ae44847fe842558a744748084a722d1" uuid = "d2c73de3-f751-5644-a686-071e5b155ba9" version = "0.72.7+0" -[[GTK3_jll]] -deps = ["ATK_jll", "Artifacts", "Cairo_jll", "Fontconfig_jll", "FreeType2_jll", "FriBidi_jll", "Glib_jll", "HarfBuzz_jll", "JLLWrappers", "Libdl", "Libepoxy_jll", "Pango_jll", "Pkg", "Wayland_jll", "Xorg_libX11_jll", "Xorg_libXcomposite_jll", "Xorg_libXcursor_jll", "Xorg_libXdamage_jll", "Xorg_libXext_jll", "Xorg_libXfixes_jll", "Xorg_libXi_jll", "Xorg_libXinerama_jll", "Xorg_libXrandr_jll", "Xorg_libXrender_jll", "at_spi2_atk_jll", "gdk_pixbuf_jll", "iso_codes_jll", "xkbcommon_jll"] -git-tree-sha1 = "b080a592525632d287aee4637a62682576b7f5e4" -uuid = "77ec8976-b24b-556a-a1bf-49a033a670a6" -version = "3.24.31+0" - -[[Gettext_jll]] +[[deps.Gettext_jll]] deps = ["Artifacts", "CompilerSupportLibraries_jll", "JLLWrappers", "Libdl", "Libiconv_jll", "Pkg", "XML2_jll"] git-tree-sha1 = "9b02998aba7bf074d14de89f9d37ca24a1a0b046" uuid = "78b55507-aeef-58d4-861c-77aaff3498b1" version = "0.21.0+0" -[[Glib_jll]] +[[deps.Glib_jll]] deps = ["Artifacts", "Gettext_jll", "JLLWrappers", "Libdl", "Libffi_jll", "Libiconv_jll", "Libmount_jll", "PCRE2_jll", "Pkg", "Zlib_jll"] git-tree-sha1 = 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"Xorg_libXfixes_jll", "Xorg_libXi_jll"] -git-tree-sha1 = "0c0a60851f44add2a64069ddf213e941c30ed93c" -uuid = "b6f176f1-7aea-5357-ad67-1d3e565ea1c6" -version = "1.2.3+4" - -[[Xorg_libpthread_stubs_jll]] +[[deps.Xorg_libpthread_stubs_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl"] git-tree-sha1 = "8fdda4c692503d44d04a0603d9ac0982054635f9" uuid = "14d82f49-176c-5ed1-bb49-ad3f5cbd8c74" version = "0.1.1+0" -[[Xorg_libxcb_jll]] +[[deps.Xorg_libxcb_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "XSLT_jll", "Xorg_libXau_jll", "Xorg_libXdmcp_jll", "Xorg_libpthread_stubs_jll"] git-tree-sha1 = "b4bfde5d5b652e22b9c790ad00af08b6d042b97d" uuid = "c7cfdc94-dc32-55de-ac96-5a1b8d977c5b" version = "1.15.0+0" -[[Xorg_libxkbfile_jll]] +[[deps.Xorg_libxkbfile_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Xorg_libX11_jll"] git-tree-sha1 = "730eeca102434283c50ccf7d1ecdadf521a765a4" uuid = "cc61e674-0454-545c-8b26-ed2c68acab7a" version = "1.1.2+0" -[[Xorg_xcb_util_image_jll]] +[[deps.Xorg_xcb_util_image_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg", "Xorg_xcb_util_jll"] git-tree-sha1 = "0fab0a40349ba1cba2c1da699243396ff8e94b97" uuid = "12413925-8142-5f55-bb0e-6d7ca50bb09b" version = "0.4.0+1" -[[Xorg_xcb_util_jll]] +[[deps.Xorg_xcb_util_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg", "Xorg_libxcb_jll"] git-tree-sha1 = "e7fd7b2881fa2eaa72717420894d3938177862d1" uuid = "2def613f-5ad1-5310-b15b-b15d46f528f5" version = "0.4.0+1" -[[Xorg_xcb_util_keysyms_jll]] +[[deps.Xorg_xcb_util_keysyms_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg", "Xorg_xcb_util_jll"] git-tree-sha1 = "d1151e2c45a544f32441a567d1690e701ec89b00" uuid = "975044d2-76e6-5fbe-bf08-97ce7c6574c7" version = "0.4.0+1" -[[Xorg_xcb_util_renderutil_jll]] +[[deps.Xorg_xcb_util_renderutil_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg", "Xorg_xcb_util_jll"] git-tree-sha1 = "dfd7a8f38d4613b6a575253b3174dd991ca6183e" uuid = "0d47668e-0667-5a69-a72c-f761630bfb7e" version = "0.3.9+1" -[[Xorg_xcb_util_wm_jll]] +[[deps.Xorg_xcb_util_wm_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg", "Xorg_xcb_util_jll"] git-tree-sha1 = "e78d10aab01a4a154142c5006ed44fd9e8e31b67" uuid = "c22f9ab0-d5fe-5066-847c-f4bb1cd4e361" version = "0.4.1+1" -[[Xorg_xkbcomp_jll]] +[[deps.Xorg_xkbcomp_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Xorg_libxkbfile_jll"] git-tree-sha1 = "330f955bc41bb8f5270a369c473fc4a5a4e4d3cb" uuid = "35661453-b289-5fab-8a00-3d9160c6a3a4" version = "1.4.6+0" -[[Xorg_xkeyboard_config_jll]] +[[deps.Xorg_xkeyboard_config_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Xorg_xkbcomp_jll"] git-tree-sha1 = "691634e5453ad362044e2ad653e79f3ee3bb98c3" uuid = "33bec58e-1273-512f-9401-5d533626f822" version = "2.39.0+0" -[[Xorg_xtrans_jll]] +[[deps.Xorg_xtrans_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl"] git-tree-sha1 = "e92a1a012a10506618f10b7047e478403a046c77" uuid = "c5fb5394-a638-5e4d-96e5-b29de1b5cf10" version = "1.5.0+0" -[[Zlib_jll]] +[[deps.Zlib_jll]] deps = ["Libdl"] uuid = "83775a58-1f1d-513f-b197-d71354ab007a" version = "1.2.12+3" -[[Zstd_jll]] +[[deps.Zstd_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl"] git-tree-sha1 = "49ce682769cd5de6c72dcf1b94ed7790cd08974c" uuid = "3161d3a3-bdf6-5164-811a-617609db77b4" version = "1.5.5+0" -[[adwaita_icon_theme_jll]] -deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg", "hicolor_icon_theme_jll"] -git-tree-sha1 = "37c9a36ccb876e02876c8a654f1b2e8c1b443a78" -uuid = "b437f822-2cd6-5e08-a15c-8bac984d38ee" -version = "3.33.92+5" - -[[at_spi2_atk_jll]] -deps = ["ATK_jll", "Artifacts", "JLLWrappers", "Libdl", "Pkg", "XML2_jll", "Xorg_libX11_jll", "at_spi2_core_jll"] -git-tree-sha1 = "f16ae690aca4761f33d2cb338ee9899e541f5eae" -uuid = "de012916-1e3f-58c2-8f29-df3ef51d412d" -version = "2.34.1+4" - -[[at_spi2_core_jll]] -deps = ["Artifacts", "Dbus_jll", "Glib_jll", "JLLWrappers", "Libdl", "Pkg", "Xorg_libXtst_jll"] -git-tree-sha1 = 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-version = "4.11.0+0" - -[[libaom_jll]] +[[deps.libaom_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg"] git-tree-sha1 = "3a2ea60308f0996d26f1e5354e10c24e9ef905d4" uuid = "a4ae2306-e953-59d6-aa16-d00cac43593b" version = "3.4.0+0" -[[libass_jll]] +[[deps.libass_jll]] deps = ["Artifacts", "Bzip2_jll", "FreeType2_jll", "FriBidi_jll", "HarfBuzz_jll", "JLLWrappers", "Libdl", "Pkg", "Zlib_jll"] git-tree-sha1 = "5982a94fcba20f02f42ace44b9894ee2b140fe47" uuid = "0ac62f75-1d6f-5e53-bd7c-93b484bb37c0" version = "0.15.1+0" -[[libblastrampoline_jll]] +[[deps.libblastrampoline_jll]] deps = ["Artifacts", "Libdl", "OpenBLAS_jll"] uuid = "8e850b90-86db-534c-a0d3-1478176c7d93" version = "5.1.1+0" -[[libfdk_aac_jll]] +[[deps.libfdk_aac_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg"] git-tree-sha1 = "daacc84a041563f965be61859a36e17c4e4fcd55" uuid = "f638f0a6-7fb0-5443-88ba-1cc74229b280" version = "2.0.2+0" -[[libpng_jll]] +[[deps.libpng_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg", "Zlib_jll"] git-tree-sha1 = "94d180a6d2b5e55e447e2d27a29ed04fe79eb30c" uuid = "b53b4c65-9356-5827-b1ea-8c7a1a84506f" version = "1.6.38+0" -[[libsass_jll]] +[[deps.libsass_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg"] git-tree-sha1 = "941afb93587dcec07f89e511057f5efc0bec6f0d" uuid = "47bcb7c8-5119-555a-9eeb-0afcc36cd728" version = "3.6.4+0" -[[libvorbis_jll]] +[[deps.libvorbis_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Ogg_jll", "Pkg"] git-tree-sha1 = "b910cb81ef3fe6e78bf6acee440bda86fd6ae00c" uuid = "f27f6e37-5d2b-51aa-960f-b287f2bc3b7a" version = "1.3.7+1" -[[nghttp2_jll]] +[[deps.nghttp2_jll]] deps = ["Artifacts", "Libdl"] uuid = "8e850ede-7688-5339-a07c-302acd2aaf8d" version = "1.48.0+0" -[[p7zip_jll]] +[[deps.p7zip_jll]] deps = ["Artifacts", "Libdl"] uuid = "3f19e933-33d8-53b3-aaab-bd5110c3b7a0" version = "17.4.0+0" -[[x264_jll]] +[[deps.x264_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg"] git-tree-sha1 = "4fea590b89e6ec504593146bf8b988b2c00922b2" uuid = "1270edf5-f2f9-52d2-97e9-ab00b5d0237a" version = "2021.5.5+0" -[[x265_jll]] +[[deps.x265_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg"] git-tree-sha1 = "ee567a171cce03570d77ad3a43e90218e38937a9" uuid = "dfaa095f-4041-5dcd-9319-2fabd8486b76" version = "3.5.0+0" -[[xkbcommon_jll]] +[[deps.xkbcommon_jll]] deps = ["Artifacts", "JLLWrappers", "Libdl", "Pkg", "Wayland_jll", "Wayland_protocols_jll", "Xorg_libxcb_jll", "Xorg_xkeyboard_config_jll"] git-tree-sha1 = "9ebfc140cc56e8c2156a15ceac2f0302e327ac0a" uuid = "d8fb68d0-12a3-5cfd-a85a-d49703b185fd" diff --git a/Notes.md b/Notes.md index 84c098e..4a73a4f 100644 --- a/Notes.md +++ b/Notes.md @@ -1,5 +1,19 @@ # Notes on changes to MolecularIntegrals.jl +## 2021-07-07 +Picking this up again after a long absence. Rewrote the Boys routines in a more intelligent way that correctly calls recursive values for the routine. However, I don't thik I'm seeing any substantial timing improvements yet. + +Since it has been so long I'm not convinced that I'm donig everything properly. Here are the timing results for future reference: + +Ethane/sto3g: nbf=16 +HGP 66.349 ms (532033 allocations: 37.49 MiB) +Rys 198.081 ms (27966 allocations: 3.37 MiB) +Ethane/6-31G: nbf=30 +HGP 260.098 ms (2046240 allocations: 170.56 MiB) +Rys 744.653 ms (325055 allocations: 30.03 MiB) +Ethane/cc-pvdz: nbf=60 +HGP 2.521 s (16072732 allocations: 2.04 GiB) + ## 2021-06-13 Moved the G, roots, weights arrays out to the global scope to keep from multiple reallocations of the same space. diff --git a/Project.toml b/Project.toml index 7c3204b..0c5c703 100644 --- a/Project.toml +++ b/Project.toml @@ -13,8 +13,8 @@ OffsetArrays = "6fe1bfb0-de20-5000-8ca7-80f57d26f881" Plots = "91a5bcdd-55d7-5caf-9e0b-520d859cae80" Pluto = "c3e4b0f8-55cb-11ea-2926-15256bba5781" Printf = "de0858da-6303-5e67-8744-51eddeeeb8d7" +Profile = "9abbd945-dff8-562f-b5e8-e1ebf5ef1b79" ProfileSVG = "132c30aa-f267-4189-9183-c8a63c7e05e6" -ProfileView = "c46f51b8-102a-5cf2-8d2c-8597cb0e0da7" SpecialFunctions = "276daf66-3868-5448-9aa4-cd146d93841b" StaticArrays = "90137ffa-7385-5640-81b9-e52037218182" Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40" diff --git a/src/Boys.jl b/src/Boys.jl index 35c79d5..5170d1d 100644 --- a/src/Boys.jl +++ b/src/Boys.jl @@ -2,24 +2,24 @@ using SpecialFunctions # Functions to make arrays out of multiple m values: -farray_full(mmax,T,fm=Fm_ref) = fm.(0:mmax-1,T) +farray_full(mmax,T,fm=fmspline) = fm.(0:mmax-1,T) -function farray_recur(mmax,T,fm=Fm_ref) +function farray_recur(mmax,T,fm=fmspline) Fms = zeros(Float64,mmax) Fms[mmax] = fm(mmax-1,T) emt = exp(-T) for m in mmax-1:-1:1 - Fms[m] = (2*T*Fms[m+1]+emt)/(2*(m-1)+1) + Fms[m] = (2*T*Fms[m+1]+emt)/(2*(m-1)+1) end return Fms end -function farray(mmax,T,fm=Fm_ref,Tmax=30) +function farray(mmax,T,fm=fmspline,Tmax=30) if T < Tmax return farray_recur(mmax,T,fm) end Fms = zeros(Float64,mmax) Fms[mmax] = Fm_asymp(mmax-1,T) for m in mmax-1:-1:1 - Fms[m] = T*Fms[m+1]/(m-0.5) + Fms[m] = T*Fms[m+1]/(m-0.5) end return Fms end @@ -65,13 +65,13 @@ Fgamma(m,T) = Fm(m,T) # backwards compatibility in case something still calls th # end # return retval # end -# using Interpolations -# function make_interpolator(mmax=10,Tmax=20.0) -# Tgrid = 0:0.005:Tmax -# mgrid = 0:mmax -# fmvalues = [Fm(m,T) for m in mgrid, T in Tgrid] -# itp = interpolate(fmvalues, BSpline(Cubic(Line(OnGrid())))) -# sitp = scale(itp,mgrid,Tgrid) -# return sitp -# end -# const fmspline = make_interpolator() +using Interpolations +function make_interpolator(mmax=10,Tmax=20.0) + Tgrid = 0:0.005:Tmax + mgrid = 0:mmax + fmvalues = [Fm(m,T) for m in mgrid, T in Tgrid] + itp = interpolate(fmvalues, BSpline(Cubic(Line(OnGrid())))) + sitp = scale(itp,mgrid,Tgrid) + return sitp +end +const fmspline = make_interpolator() diff --git a/src/HGP.jl b/src/HGP.jl index 7b9b67b..c816f81 100644 --- a/src/HGP.jl +++ b/src/HGP.jl @@ -25,7 +25,7 @@ function all_twoe_ints_chrr(bfs) fetcher = eri_fetcher(bfs) ints = zeros(Float64,nints) Threads.@threads for (ishell,jshell,kshell,lshell) in collect(keys(fetcher)) - hrrs = chrr(bfs.shells[ishell],bfs.shells[jshell],bfs.shells[kshell],bfs.shells[lshell]) + hrrs = chrr(bfs.shells[ishell],bfs.shells[jshell],bfs.shells[kshell],bfs.shells[lshell]) for (ijkl,hi,hj,hk,hl) in fetcher[ishell,jshell,kshell,lshell] ints[ijkl] = hrrs[hi,hj,hk,hl] end