diff --git a/.envrc b/.envrc index 596826f..cdf3681 100644 --- a/.envrc +++ b/.envrc @@ -2,7 +2,6 @@ set +u export PROJECTHOME="/home/ywtang/project/biyelunwen" export SCRIPTS="$PROJECTHOME/99.scripts" export PUEUE_CONFIG_PATH="$PROJECTHOME/.pueue.yml" -watch_file pixi.lock +watch_file pixi.lock eval "$(pixi shell-hook)" PATH_add $SCRIPTS/bucky/bin -PATH_add $SCRIPTS/ticr diff --git a/99.scripts/miscs/bucky.pl b/99.scripts/miscs/bucky.pl index 3a2f3f4..fd24370 100755 --- a/99.scripts/miscs/bucky.pl +++ b/99.scripts/miscs/bucky.pl @@ -1452,16 +1452,16 @@ sub check_bucky_version { die " Error determining BUCKy version.\n" if (!@version_parts); # Check that version is >= 1.4.4 - if (defined($version_parts[0]) && $version_parts[0] > 1) { + if (defined($version_parts[0]) && int($version_parts[0]) > 1) { print " BUCKy version check passed.\n"; return; } - elsif ((defined($version_parts[0]) && $version_parts[0] == 1) && (defined($version_parts[1]) && $version_parts[1] > 4)) { + elsif ((defined($version_parts[0]) && int($version_parts[0]) == 1) && (defined($version_parts[1]) && int($version_parts[1]) > 4)) { print " BUCKy version check passed.\n"; return; } - elsif (((defined($version_parts[0]) && $version_parts[0] == 1) && (defined($version_parts[1]) && $version_parts[1] == 4)) - && defined($version_parts[2]) && $version_parts[2] >= 4) { + elsif (((defined($version_parts[0]) && int($version_parts[0]) == 1) && (defined($version_parts[1]) && int($version_parts[1]) == 4)) + && defined($version_parts[2]) && int($version_parts[2]) >= 4) { print " BUCKy version check passed.\n"; return; } diff --git a/99.scripts/miscs/raxml.sh b/99.scripts/miscs/raxml.sh old mode 100644 new mode 100755 index a6a5ab0..a12fd30 --- a/99.scripts/miscs/raxml.sh +++ b/99.scripts/miscs/raxml.sh @@ -16,5 +16,5 @@ mkdir -p "$outdir" modeltest-ng -p "$threads" -r 12345 --force -i "$aln" -d nt -t ml -o "$out".modeltest # run raxml-ng cmd=$(grep "raxml-ng" "$out".modeltest.out | tail -n 1 | sed 's/> //') -params="--all --bs-trees 1000 --outgroup $outgroup --redo --threads $threads --seed 12345 --prefix $out" +params="--blopt nr_safe --all --bs-trees 1000 --outgroup $outgroup --redo --threads $threads --seed 12345 --prefix $out" bash -c "$cmd $params" >/dev/null diff --git a/99.scripts/workflow/phylogeny_reconstruction/03.run_raxml.sh b/99.scripts/workflow/phylogeny_reconstruction/03.run_raxml.sh index 1f32f66..137ccf5 100755 --- a/99.scripts/workflow/phylogeny_reconstruction/03.run_raxml.sh +++ b/99.scripts/workflow/phylogeny_reconstruction/03.run_raxml.sh @@ -1,7 +1,7 @@ #! /bin/bash set -e SCRIPTS=${SCRIPTS:-"$PROJECTHOME/99.scripts"} -THREADS=${THREADS:-4} +THREADS=${THREADS:-3} if [ "$#" -ne 3 ]; then echo "Usage: $0 " diff --git a/99.scripts/workflow/phylogeny_reconstruction/03.snaq.jl b/99.scripts/workflow/phylogeny_reconstruction/03.snaq.jl index 72b1611..a774d2d 100644 --- a/99.scripts/workflow/phylogeny_reconstruction/03.snaq.jl +++ b/99.scripts/workflow/phylogeny_reconstruction/03.snaq.jl @@ -13,13 +13,13 @@ # Running SNaQ Analysis using PhyloNetworks, SNaQ; using Distributed; -addprocs(5); +addprocs(9); @everywhere using PhyloNetworks, SNaQ; nruns = 100; # number of runs for each hmax -astralfile = joinpath("..", "..", "species_tree", "aster.out"); +astralfile = joinpath("..", "species_tree", "coal.tre"); astraltree = readnewick(astralfile); -### Reading RAxML gene trees and ASTRAL species tree +### Reading RAxML gene trees and ASTRAL species tree ### running in raxml_snaq/ folder # raxmltrees = joinpath("..", "..", "species_tree", "all.trees"); # inputCF = readtrees2CF(raxmltrees); @@ -31,7 +31,7 @@ astraltree = readnewick(astralfile); ### Alternatively, reading in the input files from Bucky ### running in input_snaq/ folder -inputCFfile = joinpath("bucky_1.CFs.csv"); +inputCFfile = joinpath("..","bucky","bucky_1","input.mb.CFs.csv"); inputCF = readtableCF(inputCFfile); net0 = snaq!(astraltree, inputCF, hmax=0, filename="net0", seed=123, outgroup="Zju", runs=nruns); net1 = snaq!(net0, inputCF, hmax=1, filename="net1", seed=123, outgroup="Zju", runs=nruns); diff --git a/pixi.lock b/pixi.lock index 5e58bac..af320ea 100644 --- a/pixi.lock +++ b/pixi.lock @@ -153,6 +153,8 @@ environments: - 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conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/cpp-expected-1.3.1-h171cf75_0.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/cpython-3.11.14-py311hd8ed1ab_2.conda + - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/cssselect2-0.8.0-pyhd8ed1ab_0.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/curl-8.17.0-h4e3cde8_0.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/cycler-0.12.1-pyhd8ed1ab_1.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/cyrus-sasl-2.1.28-hd9c7081_0.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/dav1d-1.2.1-hd590300_0.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/dbus-1.16.2-h3c4dab8_0.conda + - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/defusedxml-0.7.1-pyhd8ed1ab_0.tar.bz2 - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/bioconda/noarch/dendropy-5.0.8-pyhdfd78af_1.tar.bz2 - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/bioconda/linux-64/diamond-2.1.16-h13889ed_0.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/distro-1.9.0-pyhd8ed1ab_1.conda @@ -737,6 +741,7 @@ environments: - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/tbb-devel-2022.3.0-h74b38a2_1.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/bioconda/noarch/td2-1.0.6-pyhdfd78af_0.tar.bz2 - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/threadpoolctl-3.6.0-pyhecae5ae_0.conda + - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/tinycss2-1.5.1-pyhcf101f3_0.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/tk-8.6.13-noxft_ha0e22de_103.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/tktable-2.10-h8d826fa_7.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/toml-0.10.2-pyhd8ed1ab_2.conda @@ -761,6 +766,7 @@ environments: - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/unicodedata2-17.0.0-py311h49ec1c0_1.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/urllib3-2.5.0-pyhd8ed1ab_0.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/wayland-1.24.0-hd6090a7_1.conda + - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/webencodings-0.5.1-pyhd8ed1ab_3.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/wget-1.21.4-hda4d442_0.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/wheel-0.45.1-pyhd8ed1ab_1.conda - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/x265-3.5-h924138e_3.tar.bz2 @@ -1950,6 +1956,31 @@ packages: license: LGPL-2.1-only or MPL-1.1 size: 978114 timestamp: 1741554591855 +- conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/cairocffi-1.7.1-pyhd8ed1ab_1.conda + sha256: 1f9642b94454fbcb605f5c711c512cea2147246a4e23aa9baddbda5324089c78 + md5: 54b7517cb759be8279efe23708528fe5 + depends: + - cairo >=1.14 + - cffi >=1.1 + - python >=3.9 + license: BSD-3-Clause + license_family: BSD + size: 67048 + timestamp: 1735230077496 +- conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/cairosvg-2.8.2-pyhd8ed1ab_0.conda + sha256: 7c76dfe182f775ac9b0a92668fdf5a1d8db6b1459b9ac971d90fcb33609294cf + md5: a873c27598843c20dbb200681f49ea96 + depends: + - cairocffi + - cssselect2 + - defusedxml + - pillow + - python >=3.9 + - tinycss2 + license: LGPL-3.0-only + license_family: LGPL + size: 44459 + timestamp: 1747337159019 - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/bioconda/linux-64/cd-hit-4.8.1-h5ca1c30_13.tar.bz2 sha256: 8793a98a7c93b9ade5caaa85e6eeccec69d774c197b772a8132373de2d6ce8e1 md5: 8b5beac305bcf38b77be27e0233e4076 @@ -2132,6 +2163,17 @@ packages: license: Python-2.0 size: 47257 timestamp: 1761172995774 +- conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/cssselect2-0.8.0-pyhd8ed1ab_0.conda + sha256: 0a6728d77e337fd5b543765b0cd05eda996b63f4ef0c1bb34a02d78a7d123a68 + md5: 504bf822bea0f84547fb31e41de19714 + depends: + - python >=3.9 + - tinycss2 + - webencodings + license: BSD-3-Clause + license_family: BSD + size: 20425 + timestamp: 1751498485591 - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/curl-8.17.0-h4e3cde8_0.conda sha256: 3fb39c401fbdbaf68b8f25c1d81600d2a771b6467cc5d7c88fbd1e06d8825ee1 md5: a37bd62e2c34797cdb577920b35f3bc5 @@ -2196,6 +2238,15 @@ packages: license_family: GPL size: 437860 timestamp: 1747855126005 +- conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/defusedxml-0.7.1-pyhd8ed1ab_0.tar.bz2 + sha256: 9717a059677553562a8f38ff07f3b9f61727bd614f505658b0a5ecbcf8df89be + md5: 961b3a227b437d82ad7054484cfa71b2 + depends: + - python >=3.6 + license: PSF-2.0 + license_family: PSF + size: 24062 + timestamp: 1615232388757 - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/bioconda/noarch/dendropy-5.0.8-pyhdfd78af_1.tar.bz2 sha256: 102790b465893f5a5c4c3fa045f677e23f990ecc6d1b61d240153c3569a5b99f md5: 0fa94922431d1074792639704d19461d @@ -9579,6 +9630,17 @@ packages: license_family: BSD size: 23869 timestamp: 1741878358548 +- conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/tinycss2-1.5.1-pyhcf101f3_0.conda + sha256: 7c803480dbfb8b536b9bf6287fa2aa0a4f970f8c09075694174eb4550a4524cd + md5: c0d0b883e97906f7524e2aac94be0e0d + depends: + - python >=3.10 + - webencodings >=0.4 + - python + license: BSD-3-Clause + license_family: BSD + size: 30571 + timestamp: 1764621508086 - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/tk-8.6.13-noxft_ha0e22de_103.conda sha256: 1544760538a40bcd8ace2b1d8ebe3eb5807ac268641f8acdc18c69c5ebfeaf64 md5: 86bc20552bf46075e3d92b67f089172d @@ -9905,6 +9967,15 @@ packages: license_family: MIT size: 329779 timestamp: 1761174273487 +- conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/noarch/webencodings-0.5.1-pyhd8ed1ab_3.conda + sha256: 19ff205e138bb056a46f9e3839935a2e60bd1cf01c8241a5e172a422fed4f9c6 + md5: 2841eb5bfc75ce15e9a0054b98dcd64d + depends: + - python >=3.9 + license: BSD-3-Clause + license_family: BSD + size: 15496 + timestamp: 1733236131358 - conda: https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/linux-64/wget-1.21.4-hda4d442_0.conda sha256: 70df4ac8cca488618458af4705706551cef7e402bac9c2c41dd17148f60cbd1f md5: 361e96b664eac64a33c20dfd11affbff diff --git a/pixi.toml b/pixi.toml index 265221e..79f3de7 100644 --- a/pixi.toml +++ b/pixi.toml @@ -51,6 +51,7 @@ mmseqs2 = ">=18.8cc5c,<19" paml = ">=4.10.9,<5" beagle-lib = "==3.1.2" mrbayes = ">=3.2.7,<4" +cairosvg = ">=2.8.2,<3" [feature.beast.dependencies] beagle-lib = ">=4.0.1,<5"