From dacf2eeb822d0a701af64f5a11b92cc0dcf9709b Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 00:55:57 +0100 Subject: [PATCH 01/19] add muller plots --- .gitmodules | 3 + prepare-environments.sh | 36 ++++++++++ tests/localtest/config-template.yml | 12 ++-- warlock.sh | 6 ++ workflow/Snakefile | 80 ++++++++++++++++++++++- workflow/envs/warlock-r.yml | 27 ++++++++ workflow/scripts/generate-summary-plots.R | 74 +++++++++++++++++++++ 7 files changed, 229 insertions(+), 9 deletions(-) create mode 100644 prepare-environments.sh create mode 100644 workflow/envs/warlock-r.yml create mode 100644 workflow/scripts/generate-summary-plots.R diff --git a/.gitmodules b/.gitmodules index 0d75e08..a3d11e6 100644 --- a/.gitmodules +++ b/.gitmodules @@ -1,3 +1,6 @@ [submodule "demon_model"] path = resources/demon_model url = https://github.com/robjohnnoble/demon_model +[submodule "demonanalysis"] + path = resources/demonanalysis + url = https://github.com/robjohnnoble/demonanalysis diff --git a/prepare-environments.sh b/prepare-environments.sh new file mode 100644 index 0000000..a54c051 --- /dev/null +++ b/prepare-environments.sh @@ -0,0 +1,36 @@ +############################################################################### +# +# Create internal conda envs with all dependencies +# +# AUTHOR: Maciej_Bak +# CONTACT: wsciekly.maciek@gmail.com +# +############################################################################### + +snakemake \ + --snakefile="workflow/Snakefile" \ + --configfile="tests/localtest/config-template.yml" \ + --config workflow_repo_path="$PWD" \ + --config workflow_analysis_outdir="$PWD/tests/localtest/output" \ + --use-conda \ + --conda-create-envs-only \ + --cores 1 \ + --nolock \ + all + +for file in .snakemake/conda/*.yaml; do + if [ -f "$file" ]; then + if grep -q "name: warlock-r" "$file"; then + ENVPATH="${file%.yaml}" + break + fi + fi +done + +eval "$(conda shell.bash hook)" +conda deactivate +conda activate $ENVPATH + +# strange error often appears, installation needs to be called twice +Rscript -e "devtools::install('resources/demonanalysis', upgrade=TRUE)" +Rscript -e "devtools::install('resources/demonanalysis', upgrade=TRUE)" diff --git a/tests/localtest/config-template.yml b/tests/localtest/config-template.yml index 9a985d8..79f4d42 100644 --- a/tests/localtest/config-template.yml +++ b/tests/localtest/config-template.yml @@ -25,7 +25,7 @@ workflow_analysis_outdir: "{{ WORKFLOW_REPO_PATH }}/tests/localtest/output" ### DEMON PARAMETERS ### # spatial_structure -demon_log2_deme_carrying_capacity: 8 +demon_log2_deme_carrying_capacity: [8, 9, 10] # dispersal demon_migration_type: 0 @@ -34,13 +34,13 @@ demon_migration_edge_only: 1 demon_migration_rate_scales_with_K: 1 # mutation_rates -demon_mu_driver_birth: "1e-05" -demon_mu_passenger: 0.001 -demon_mu_driver_migration: 0.01 +demon_mu_driver_birth: "5e-06" +demon_mu_passenger: 0.1 +demon_mu_driver_migration: 0 demon_passenger_pop_threshold: -1 # fitness_effects -demon_normal_birth_rate: [0.8, 0.9] +demon_normal_birth_rate: 0.8 demon_baseline_death_rate: 0 demon_s_driver_birth: 0.1 demon_s_passenger: 0 @@ -51,7 +51,7 @@ demon_max_relative_migration_rate: 10 # non_biological_parameters demon_init_pop: 1 demon_matrix_max: -1 -demon_max_pop: 1000000 +demon_max_pop: 100000 demon_max_time: 86400 demon_max_generations: 2000 demon_seed: 10 diff --git a/warlock.sh b/warlock.sh index f560703..7229959 100644 --- a/warlock.sh +++ b/warlock.sh @@ -114,12 +114,17 @@ if [ -z "$CORES" ]; then CORES=1 fi +# in order to use R from conda-forge I need to set these env variables: +LANG=en_US.UTF-8 +LC_ALL=en_US.UTF-8 + # select a proper smk profile based on the command line args case "$ENV" in local) snakemake \ --configfile="$CONFIGFILE" \ --profile="workflow/profiles/local" \ + --use-conda \ --cores="$CORES" \ --nolock \ all @@ -128,6 +133,7 @@ case "$ENV" in snakemake \ --configfile="$CONFIGFILE" \ --profile="workflow/profiles/slurm" \ + --use-conda \ --cores="$CORES" \ --nolock \ all diff --git a/workflow/Snakefile b/workflow/Snakefile index fdc1366..59ca1b9 100644 --- a/workflow/Snakefile +++ b/workflow/Snakefile @@ -166,7 +166,6 @@ rule run_demon: ) params: - STR_runID = "{runID}", LOG_cluster_log = os.path.join( "{outdir}", "logs", @@ -220,15 +219,90 @@ rule run_demon: """ +rule generate_summary_plots: + """ + Generate per-simulation summary plots with 'demonanalysis' pkg. + """ + input: + DIR_simulations_outdir = os.path.join( + "{outdir}", + "simulations", + "{runID}" + ), + SCRIPT_generate_summary_plots = os.path.join( + config["workflow_repo_path"], + "workflow", + "scripts", + "generate-summary-plots.R", + ) + + output: + DIR_analyses_outdir = directory( + os.path.join( + "{outdir}", + "analyses", + "{runID}" + ) + ) + + params: + LOG_cluster_log = os.path.join( + "{outdir}", + "logs", + "{runID}", + "generate_summary_plots.cluster.log" + ) + + threads: 1 + + log: + LOG_local_stdout = os.path.join( + "{outdir}", + "logs", + "{runID}", + "generate_summary_plots.stdout.log" + ), + LOG_local_stderr = os.path.join( + "{outdir}", + "logs", + "{runID}", + "generate_summary_plots.stderr.log" + ) + + benchmark: + os.path.join( + "{outdir}", + "logs", + "{runID}", + "generate_summary_plots.benchmark.log" + ) + + conda: + "envs/warlock-r.yml" + + shell: + """ + (mkdir -p {output.DIR_analyses_outdir} \ + && \ + sleep 5 \ + && \ + Rscript {input.SCRIPT_generate_summary_plots} \ + --input {input.DIR_simulations_outdir} \ + --output {output.DIR_analyses_outdir}) \ + 1> {log.LOG_local_stdout} \ + 2> {log.LOG_local_stderr} + """ + + rule all: """ Target rule gathering final output of the workflow. """ input: - DIR_simulations_outdir = expand( + DIR_analyses_outdir = expand( os.path.join( "{outdir}", - "simulations", + "analyses", "{runID}" ), outdir = config["workflow_analysis_outdir"], diff --git a/workflow/envs/warlock-r.yml b/workflow/envs/warlock-r.yml new file mode 100644 index 0000000..829e505 --- /dev/null +++ b/workflow/envs/warlock-r.yml @@ -0,0 +1,27 @@ +############################################################################### +# +# AUTHOR: Maciej_Bak +# CONTACT: wsciekly.maciek@gmail.com +# +############################################################################### +--- + + name: warlock-r + + channels: + - conda-forge + + dependencies: + - cmake=3.26.4 + - compilers=1.3.0 + - graphviz=2.50.0 + - r-base=3.6.3 + - r-devtools=2.4.1 + - r-dplyr=1.0.6 + - r-foreign=0.8_76 + - r-ggplot2=3.3.3 + - r-optparse=1.6.6 + - r-readr=1.4.0 + - r-rvaidememoire=0.9_79 + +... diff --git a/workflow/scripts/generate-summary-plots.R b/workflow/scripts/generate-summary-plots.R new file mode 100644 index 0000000..7e32c40 --- /dev/null +++ b/workflow/scripts/generate-summary-plots.R @@ -0,0 +1,74 @@ +############################################################################### +# +# Small wrapper to plot all Muller plots for warlock simulations. +# +# AUTHOR: Maciek Bak +# AFFILIATION: City, University of London +# CONTACT: wsciekly.maciek@gmail.com +# CREATED: 23.11.2022 +# LICENSE: Apache_2.0 +# +############################################################################### + +Sys.setenv("LANGUAGE"="EN") + +# by default: suppress warnings +options(warn = -1) + +# load libraries +suppressPackageStartupMessages(suppressWarnings(library(demonanalysis))) +suppressPackageStartupMessages(suppressWarnings(library(optparse))) + +# list the command-line arguments +option_list <- list( + make_option(c("--input"), + action = "store_true", + dest = "input_directory", + type = "character", + help = "Path to the warlock output directory." + ), + make_option(c("--output"), + action = "store_true", + dest = "output_directory", + type = "character", + help = "Path for the output directory with plots." + ), + make_option(c("--help"), + action = "store_true", + dest = "help", + type = "logical", + default = FALSE, + help = "Show this information and exit." + ), + make_option(c("--verbose"), + action = "store_true", + dest = "verbose", + type = "logical", + default = FALSE, + help = "Run in verbose mode." + ) +) + +# parse command-line arguments +opt_parser <- OptionParser( + usage = "Usage: %prog [OPTIONS] --message [STRING]", + option_list = option_list, + add_help_option = FALSE, + description = "" +) +opt <- parse_args(opt_parser) + +# if verbose flag was set: print warnings +if (opt$verbose) { + options(warn = 0) +} + +############################################################################### +# MAIN +############################################################################### + +plot_all_images( + path = opt$input_directory, + output_filename = "muller", + output_dir = opt$output_directory +) From 7fb93f2e736123bd5fd6ace004941e9ffe313bd9 Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 01:34:01 +0100 Subject: [PATCH 02/19] remove macos --- .github/workflows/test.yml | 65 +------------------------------------- README.md | 13 +++----- prepare-environments.sh | 6 ++-- 3 files changed, 9 insertions(+), 75 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 5e3d614..93ba619 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -19,7 +19,7 @@ jobs: strategy: fail-fast: false matrix: - os: [ubuntu-20.04, macos-11] + os: ubuntu-20.04 steps: @@ -46,21 +46,11 @@ jobs: conda list conda clean --all --yes - - name: Install md5sum (macOS) - shell: bash -l {0} - if: matrix.os == 'macos-11' - run: brew install md5sha1sum - - name: Print compiler path (Ubuntu) shell: bash -l {0} if: matrix.os == 'ubuntu-20.04' run: which g++ - - name: Print compiler path (macOS) - shell: bash -l {0} - if: matrix.os == 'macos-11' - run: which clang++ - - name: Compile demon (Ubuntu) shell: bash -l {0} if: matrix.os == 'ubuntu-20.04' @@ -70,15 +60,6 @@ jobs: -I/usr/share/miniconda3/envs/warlock/include -lm - - name: Compile demon (macOS) - shell: bash -l {0} - if: matrix.os == 'macos-11' - run: > - clang++ resources/demon_model/src/demon.cpp - -o resources/demon_model/bin/demon - -I/Users/runner/miniconda3/envs/warlock/include - -lm - # Run the tests sequentially; # This could be parallelized in the CI but setting up conda # is expensive; its faster to run the tests one-by-one. @@ -91,26 +72,12 @@ jobs: --configfile tests/test1/config-Ubuntu.yml --environment local - - name: Run the pipeline (test1) (macOS) - shell: bash -l {0} - if: matrix.os == 'macos-11' - run: > - bash warlock.sh - --configfile tests/test1/config-macOS.yml - --environment local - - name: Check md5 (test1) (Ubuntu) shell: bash -l {0} if: matrix.os == 'ubuntu-20.04' working-directory: ./tests/test1 run: md5sum -c output-Ubuntu.md5 - - name: Check md5 (test1) (macOS) - shell: bash -l {0} - if: matrix.os == 'macos-11' - working-directory: ./tests/test1 - run: md5sum -c output-macOS.md5 - - name: Cleanup (test1) shell: bash -l {0} run: rm -rf tests/test1/output @@ -124,27 +91,12 @@ jobs: --environment local --cores 4 - - name: Run the pipeline (test2) (macOS) - shell: bash -l {0} - if: matrix.os == 'macos-11' - run: > - bash warlock.sh - --configfile tests/test2/config-macOS.yml - --environment local - --cores 4 - - name: Check md5 (test2) (Ubuntu) shell: bash -l {0} if: matrix.os == 'ubuntu-20.04' working-directory: ./tests/test2 run: md5sum -c output-Ubuntu.md5 - - name: Check md5 (test2) (macOS) - shell: bash -l {0} - if: matrix.os == 'macos-11' - working-directory: ./tests/test2 - run: md5sum -c output-macOS.md5 - - name: Cleanup (test2) shell: bash -l {0} run: rm -rf tests/test2/output @@ -158,27 +110,12 @@ jobs: --environment local --cores 2 - - name: Run the pipeline (test3) (macOS) - shell: bash -l {0} - if: matrix.os == 'macos-11' - run: > - bash warlock.sh - --configfile tests/test3/config-macOS.yml - --environment local - --cores 2 - - name: Check md5 (test3) (Ubuntu) shell: bash -l {0} if: matrix.os == 'ubuntu-20.04' working-directory: ./tests/test3 run: md5sum -c output-Ubuntu.md5 - - name: Check md5 (test3) (macOS) - shell: bash -l {0} - if: matrix.os == 'macos-11' - working-directory: ./tests/test3 - run: md5sum -c output-macOS.md5 - - name: Cleanup (test3) shell: bash -l {0} run: rm -rf tests/test3/output diff --git a/README.md b/README.md index ea41dbf..a5e277c 100644 --- a/README.md +++ b/README.md @@ -18,7 +18,7 @@ The following repository encapsulates _demon_ into an automated and reproducible ## Installation -**The workflow is designed to run on Linux and macOS systems.** +**The workflow is designed to run on Linux systems.** We have prepared a dedicated [conda environment](https://docs.conda.io/projects/conda/en/latest/user-guide/concepts/environments.html) recipe which will contain all prerequisites required to execute the workflow. Thus Anaconda/Miniconda package manager is a natural dependency (see [Appendix A](#appendix-a-miniconda-installation) for installation instructions.) 1. Clone the repository and navigate inside that directory @@ -35,14 +35,9 @@ We have prepared a dedicated [conda environment](https://docs.conda.io/projects/ conda activate warlock ``` 3. Compile _demon_ - * Linux: - ```bash - g++ resources/demon_model/src/demon.cpp -o resources/demon_model/bin/demon -I$HOME/miniconda3/envs/warlock/include -lm - ``` - * macOS: - ```bash - clang++ resources/demon_model/src/demon.cpp -o resources/demon_model/bin/demon -I$HOME/miniconda3/envs/warlock/include -lm - ``` + ```bash + g++ resources/demon_model/src/demon.cpp -o resources/demon_model/bin/demon -I$HOME/miniconda3/envs/warlock/include -lm + ``` > Note: remember to adjust `miniconda3` (and its path) in the command above, in case you have a different manager installed on your system. All in all, the point is to provide the _include_ directory of your `warlock` environment to the compiler. diff --git a/prepare-environments.sh b/prepare-environments.sh index a54c051..aba357d 100644 --- a/prepare-environments.sh +++ b/prepare-environments.sh @@ -7,11 +7,13 @@ # ############################################################################### +# exit at a first command that exits with a !=0 status +set -eo pipefail + snakemake \ --snakefile="workflow/Snakefile" \ --configfile="tests/localtest/config-template.yml" \ - --config workflow_repo_path="$PWD" \ - --config workflow_analysis_outdir="$PWD/tests/localtest/output" \ + --config workflow_repo_path="$PWD" workflow_analysis_outdir="$PWD/tests/localtest/output" \ --use-conda \ --conda-create-envs-only \ --cores 1 \ From 80174fdd4a52ac06b85c422ed45992d4ba677431 Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 01:36:26 +0100 Subject: [PATCH 03/19] fix syntax --- .github/workflows/test.yml | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 93ba619..2177a99 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -14,12 +14,10 @@ on: push jobs: pipeline-testruns: - runs-on: ${{ matrix.os }} - name: ${{ matrix.os }} + runs-on: ubuntu-20.04 + name: ubuntu-20.04 strategy: fail-fast: false - matrix: - os: ubuntu-20.04 steps: From 00b0388b83a3c05b12379feabe63944d2f841aa7 Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 01:39:15 +0100 Subject: [PATCH 04/19] fix syntax --- .github/workflows/test.yml | 8 -------- 1 file changed, 8 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 2177a99..207009a 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -46,12 +46,10 @@ jobs: - name: Print compiler path (Ubuntu) shell: bash -l {0} - if: matrix.os == 'ubuntu-20.04' run: which g++ - name: Compile demon (Ubuntu) shell: bash -l {0} - if: matrix.os == 'ubuntu-20.04' run: > g++ resources/demon_model/src/demon.cpp -o resources/demon_model/bin/demon @@ -64,7 +62,6 @@ jobs: - name: Run the pipeline (test1) (Ubuntu) shell: bash -l {0} - if: matrix.os == 'ubuntu-20.04' run: > bash warlock.sh --configfile tests/test1/config-Ubuntu.yml @@ -72,7 +69,6 @@ jobs: - name: Check md5 (test1) (Ubuntu) shell: bash -l {0} - if: matrix.os == 'ubuntu-20.04' working-directory: ./tests/test1 run: md5sum -c output-Ubuntu.md5 @@ -82,7 +78,6 @@ jobs: - name: Run the pipeline (test2) (Ubuntu) shell: bash -l {0} - if: matrix.os == 'ubuntu-20.04' run: > bash warlock.sh --configfile tests/test2/config-Ubuntu.yml @@ -91,7 +86,6 @@ jobs: - name: Check md5 (test2) (Ubuntu) shell: bash -l {0} - if: matrix.os == 'ubuntu-20.04' working-directory: ./tests/test2 run: md5sum -c output-Ubuntu.md5 @@ -101,7 +95,6 @@ jobs: - name: Run the pipeline (test3) (Ubuntu) shell: bash -l {0} - if: matrix.os == 'ubuntu-20.04' run: > bash warlock.sh --configfile tests/test3/config-Ubuntu.yml @@ -110,7 +103,6 @@ jobs: - name: Check md5 (test3) (Ubuntu) shell: bash -l {0} - if: matrix.os == 'ubuntu-20.04' working-directory: ./tests/test3 run: md5sum -c output-Ubuntu.md5 From 8838077059a82c74c91bec54616bbfd0b61a3d54 Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 08:53:05 +0100 Subject: [PATCH 05/19] fix ci --- .github/workflows/test.yml | 10 ++++++++++ prepare-environments.sh | 4 ++-- 2 files changed, 12 insertions(+), 2 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 207009a..d5db296 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -56,6 +56,16 @@ jobs: -I/usr/share/miniconda3/envs/warlock/include -lm + - name: Prepare internal conda envs (Ubuntu) + shell: bash -l {0} + run: > + snakemake + --snakefile="workflow/Snakefile" \ + --configfile="tests/test1/config-Ubuntu.yml" \ + --use-conda \ + --conda-create-envs-only \ + all + # Run the tests sequentially; # This could be parallelized in the CI but setting up conda # is expensive; its faster to run the tests one-by-one. diff --git a/prepare-environments.sh b/prepare-environments.sh index aba357d..0dd6f9d 100644 --- a/prepare-environments.sh +++ b/prepare-environments.sh @@ -34,5 +34,5 @@ conda deactivate conda activate $ENVPATH # strange error often appears, installation needs to be called twice -Rscript -e "devtools::install('resources/demonanalysis', upgrade=TRUE)" -Rscript -e "devtools::install('resources/demonanalysis', upgrade=TRUE)" +Rscript -e "devtools::install('resources/demonanalysis', upgrade=TRUE)" || true +Rscript -e "devtools::install('resources/demonanalysis', upgrade=TRUE)" || true From 9b98189385e718c1fb5e3e4f33861efceb746001 Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 08:56:05 +0100 Subject: [PATCH 06/19] fix ci --- .github/workflows/test.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index d5db296..3daba03 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -64,6 +64,7 @@ jobs: --configfile="tests/test1/config-Ubuntu.yml" \ --use-conda \ --conda-create-envs-only \ + --cores 1 \ all # Run the tests sequentially; From 4984e56e0601486baf9b82146813e9efc05dc06a Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 08:59:56 +0100 Subject: [PATCH 07/19] fix ci --- .github/workflows/test.yml | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 3daba03..c227d72 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -60,11 +60,11 @@ jobs: shell: bash -l {0} run: > snakemake - --snakefile="workflow/Snakefile" \ - --configfile="tests/test1/config-Ubuntu.yml" \ - --use-conda \ - --conda-create-envs-only \ - --cores 1 \ + --snakefile="workflow/Snakefile" + --configfile="tests/test1/config-Ubuntu.yml" + --use-conda + --conda-create-envs-only + --cores 1 all # Run the tests sequentially; From 4bf518afd37af734ccafeec547caa35db0630bee Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 09:05:04 +0100 Subject: [PATCH 08/19] fix ci --- .github/workflows/test.yml | 15 +++++++++++++++ 1 file changed, 15 insertions(+) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index c227d72..502824a 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -67,6 +67,21 @@ jobs: --cores 1 all + - name: Install demonanalysis into the env (Ubuntu) + shell: bash -l {0} + run: > + for file in .snakemake/conda/*.yaml; do + if [ -f "$file" ]; then + if grep -q "name: warlock-r" "$file"; then + ENVPATH="${file%.yaml}" + break + fi + fi + done + conda deactivate + conda activate $ENVPATH + conda info + # Run the tests sequentially; # This could be parallelized in the CI but setting up conda # is expensive; its faster to run the tests one-by-one. From 0c16525beec1f3f08200f75cf03572140a1e9c73 Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 09:12:10 +0100 Subject: [PATCH 09/19] fix ci --- .github/workflows/test.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 502824a..deb8671 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -78,6 +78,7 @@ jobs: fi fi done + echo $ENVPATH conda deactivate conda activate $ENVPATH conda info From a0b9e033148e988bde43805d72cebe322395fe11 Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 09:15:46 +0100 Subject: [PATCH 10/19] fix ci --- .github/workflows/test.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index deb8671..d0eab8a 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -69,7 +69,7 @@ jobs: - name: Install demonanalysis into the env (Ubuntu) shell: bash -l {0} - run: > + run: | for file in .snakemake/conda/*.yaml; do if [ -f "$file" ]; then if grep -q "name: warlock-r" "$file"; then From aedf7b8ad72c77729708120c1cee75baa3157f1c Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 09:21:33 +0100 Subject: [PATCH 11/19] fix ci --- .github/workflows/test.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index d0eab8a..9e1d07e 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -78,10 +78,10 @@ jobs: fi fi done - echo $ENVPATH conda deactivate conda activate $ENVPATH - conda info + Rscript -e "devtools::install('resources/demonanalysis', upgrade=TRUE)" + Rscript -e "devtools::install('resources/demonanalysis', upgrade=TRUE)" # Run the tests sequentially; # This could be parallelized in the CI but setting up conda From 4ab1f02b1119ae2ce5f9a489c11bc7c0377e7b0d Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 09:26:31 +0100 Subject: [PATCH 12/19] fix ci --- .github/workflows/test.yml | 2 ++ 1 file changed, 2 insertions(+) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 9e1d07e..99c858c 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -43,6 +43,8 @@ jobs: conda info -a conda list conda clean --all --yes + ls + ls resources - name: Print compiler path (Ubuntu) shell: bash -l {0} From 07c019ceca90fdee712a7850cb7391bdc42c8755 Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 09:33:54 +0100 Subject: [PATCH 13/19] fix ci --- .github/workflows/test.yml | 2 -- 1 file changed, 2 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 99c858c..9e1d07e 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -43,8 +43,6 @@ jobs: conda info -a conda list conda clean --all --yes - ls - ls resources - name: Print compiler path (Ubuntu) shell: bash -l {0} From 2ca62544c673ae1266b73b189234e0c0c16bfedd Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Maciek=20B=C4=85k?= Date: Wed, 6 Mar 2024 09:55:43 +0100 Subject: [PATCH 14/19] feat: add demonanalysis as a submodule (#50) From 9b8ea5e80bb106fdf9b79f0c11274014bb2dbd0f Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 10:01:01 +0100 Subject: [PATCH 15/19] remove mac --- .github/workflows/test.yml | 1 + tests/test1/config-macOS.yml | 66 - tests/test1/output-macOS.md5 | 25 - tests/test2/config-macOS.yml | 66 - tests/test2/output-macOS.md5 | 3600 ---------------------------------- tests/test3/config-macOS.yml | 66 - tests/test3/output-macOS.md5 | 25 - 7 files changed, 1 insertion(+), 3848 deletions(-) delete mode 100644 tests/test1/config-macOS.yml delete mode 100644 tests/test1/output-macOS.md5 delete mode 100644 tests/test2/config-macOS.yml delete mode 100644 tests/test2/output-macOS.md5 delete mode 100644 tests/test3/config-macOS.yml delete mode 100644 tests/test3/output-macOS.md5 diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 9e1d07e..10ac60e 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -43,6 +43,7 @@ jobs: conda info -a conda list conda clean --all --yes + ls resources - name: Print compiler path (Ubuntu) shell: bash -l {0} diff --git a/tests/test1/config-macOS.yml b/tests/test1/config-macOS.yml deleted file mode 100644 index e789bf3..0000000 --- a/tests/test1/config-macOS.yml +++ /dev/null @@ -1,66 +0,0 @@ -############################################################################### -# -# Config options for the snakemake workflow -# -# AUTHOR: Maciej_Bak -# CONTACT: wsciekly.maciek@gmail.com -# CREATED: 15-02-2022 -# LICENSE: Apache_2.0 -# -############################################################################### ---- - -### WORKFLOW PARAMETERS ### - -# Path to the cloned repository -# (absolute path is required, also: do not use "~" character - -# some HPC clusters evaluate it differently on login & computing nodes) -workflow_repo_path: "/Users/runner/work/warlock/warlock" - -# Path for the output directory -# (absolute path is required, also: do not use "~" character - -# some HPC clusters evaluate it differently on login & computing nodes) -workflow_analysis_outdir: "/Users/runner/work/warlock/warlock/tests/test1/output" - -### DEMON PARAMETERS ### - -# spatial_structure -demon_log2_deme_carrying_capacity: 7 - -# dispersal -demon_migration_type: 0 -demon_init_migration_rate: "2e-03" -demon_migration_edge_only: 1 -demon_migration_rate_scales_with_K: 1 - -# mutation_rates -demon_mu_driver_birth: "1e-05" -demon_mu_passenger: 0.001 -demon_mu_driver_migration: 0.01 -demon_passenger_pop_threshold: -1 - -# fitness_effects -demon_normal_birth_rate: 0.9 -demon_baseline_death_rate: 0 -demon_s_driver_birth: 0.1 -demon_s_passenger: 0 -demon_s_driver_migration: 0 -demon_max_relative_birth_rate: 10 -demon_max_relative_migration_rate: 10 - -# non_biological_parameters -demon_init_pop: 1 -demon_matrix_max: -1 -demon_max_pop: 1000000 -demon_max_time: 86400 -demon_max_generations: 2000 -demon_seed: 10 -demon_write_grid: 0 -demon_write_clones_file: 0 -demon_write_demes_file: 0 -demon_record_matrix: 0 -demon_write_phylo: 0 -demon_calculate_total_diversity: 0 -demon_biopsy_size_per_sample: 100 - -... diff --git a/tests/test1/output-macOS.md5 b/tests/test1/output-macOS.md5 deleted file mode 100644 index 6a0e9d7..0000000 --- a/tests/test1/output-macOS.md5 +++ /dev/null @@ -1,25 +0,0 @@ -ad04ba3d5fe30441638d8604eef76197 output/simulations/00000000/output_birthratesgrid.dat -01ea9f533e85b5465da57d04a0ff6c92 output/simulations/00000000/phylo.dat -d41d8cd98f00b204e9800998ecf8427e output/simulations/00000000/driver_matrix.dat -9cb23bf8486dd60ccac89181a787fc8a output/simulations/00000000/sample_size_log.dat -ecda078d3fdeadce153b03d8caab89ec output/simulations/00000000/output_migrationratesgrid.dat -8f8d5659d9dec029b1ddaba26e64d0be output/simulations/00000000/output_driver_genotype_properties.dat 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-4775497e0032971b72a132f94e9f45a1 output/simulations/00000000/output_allele_counts.dat -009735b0a512228fac4b1384373ff0b4 output/simulations/00000000/output_deathrates_grid.dat -52c09203281f472638fca95ec15dc253 output/simulations/00000000/driver_phylo.dat -d41d8cd98f00b204e9800998ecf8427e output/simulations/00000000/.snakemake_timestamp -dd495074cc537594e8d5e572e3735258 output/simulations/00000000/output_driversgrid.dat -32f38f430097e325405121252c8cf52e output/simulations/00000000/output_genotype_counts.dat -7344c4eaf9c7d93e52842cbaa038d6aa output/simulations/00000000/parameters.dat diff --git a/tests/test2/config-macOS.yml b/tests/test2/config-macOS.yml deleted file mode 100644 index 147bbe0..0000000 --- a/tests/test2/config-macOS.yml +++ /dev/null @@ -1,66 +0,0 @@ -############################################################################### -# -# Config options for the snakemake workflow -# -# AUTHOR: Maciej_Bak -# CONTACT: wsciekly.maciek@gmail.com -# CREATED: 15-02-2022 -# LICENSE: Apache_2.0 -# -############################################################################### ---- - -### WORKFLOW PARAMETERS ### - -# Path to the cloned repository -# (absolute path is required, also: do not use "~" character - -# some HPC clusters evaluate it differently on login & computing nodes) -workflow_repo_path: "/Users/runner/work/warlock/warlock" - -# Path for the output directory -# (absolute path is required, also: do not use "~" character - -# some HPC clusters evaluate it differently on login & computing nodes) -workflow_analysis_outdir: "/Users/runner/work/warlock/warlock/tests/test2/output" - -### DEMON PARAMETERS ### - -# spatial_structure -demon_log2_deme_carrying_capacity: [7, 8] - -# dispersal -demon_migration_type: 0 -demon_init_migration_rate: ["1e-03", "2e-03"] -demon_migration_edge_only: 1 -demon_migration_rate_scales_with_K: 1 - -# mutation_rates -demon_mu_driver_birth: ["1e-05", "1e-04"] -demon_mu_passenger: [0.001, 0.0025, 0.005] -demon_mu_driver_migration: 0.01 -demon_passenger_pop_threshold: -1 - -# fitness_effects -demon_normal_birth_rate: 0.9 -demon_baseline_death_rate: 0 -demon_s_driver_birth: [0.1, 0.2] -demon_s_passenger: 0 -demon_s_driver_migration: [0, 0.1, 0.2] -demon_max_relative_birth_rate: 10 -demon_max_relative_migration_rate: 10 - -# non_biological_parameters -demon_init_pop: 1 -demon_matrix_max: -1 -demon_max_pop: 10000 -demon_max_time: 86400 -demon_max_generations: 2000 -demon_seed: 10 -demon_write_grid: 0 -demon_write_clones_file: 0 -demon_write_demes_file: 0 -demon_record_matrix: 0 -demon_write_phylo: 0 -demon_calculate_total_diversity: 0 -demon_biopsy_size_per_sample: 100 - -... diff --git a/tests/test2/output-macOS.md5 b/tests/test2/output-macOS.md5 deleted file mode 100644 index f46f1ae..0000000 --- a/tests/test2/output-macOS.md5 +++ /dev/null @@ -1,3600 +0,0 @@ -7e9d619d613ec606b6f00dd053804109 output/simulations/0000005D/output_birthratesgrid.dat -01ea9f533e85b5465da57d04a0ff6c92 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-908b1842ad34dc969cb94cd3b91d4868 output/simulations/00000081/clones.dat -37ff47cd7ee7194eb8770d16f7b3398a output/simulations/00000081/output_passengersgrid.dat -3d131672151397e17953b50a8a102d9d output/simulations/00000081/output_driver_allele_counts.dat -74420de8df1655c5e1e824542d3fad73 output/simulations/00000081/output.dat -6eb593dcb7ee6a1da5b8411630707f38 output/simulations/00000081/output_driver_genotype_counts.dat -821e4beb2414c56ddceb771c929b2677 output/simulations/00000081/output_popgrid.dat -5d5f2d03754689d307a2a7010ae3c73f output/simulations/00000081/output_normalcellsgrid.dat -bfbaadc9133c03824e1b7647c110480f output/simulations/00000081/output_diversities.dat -abea8a7f94162e5339518867e38eb423 output/simulations/00000081/output_allele_counts.dat -a55bd3dda624604056400ca6f37caaf4 output/simulations/00000081/output_deathrates_grid.dat -68e6e1edfda68004d08ed9a80a5ce3d3 output/simulations/00000081/driver_phylo.dat -d41d8cd98f00b204e9800998ecf8427e output/simulations/00000081/.snakemake_timestamp -b753b6aad68ba0d321c16019de3775aa output/simulations/00000081/output_driversgrid.dat -b7693d5c147830958757e7e69f675422 output/simulations/00000081/output_genotype_counts.dat -fa19cd0a0ca764812c1d330d19656198 output/simulations/00000081/parameters.dat \ No newline at end of file diff --git a/tests/test3/config-macOS.yml b/tests/test3/config-macOS.yml deleted file mode 100644 index 92769f5..0000000 --- a/tests/test3/config-macOS.yml +++ /dev/null @@ -1,66 +0,0 @@ -############################################################################### -# -# Config options for the snakemake workflow -# -# AUTHOR: Maciej_Bak -# CONTACT: wsciekly.maciek@gmail.com -# CREATED: 15-02-2022 -# LICENSE: Apache_2.0 -# -############################################################################### ---- - -### WORKFLOW PARAMETERS ### - -# Path to the cloned repository -# (absolute path is required, also: do not use "~" character - -# some HPC clusters evaluate it differently on login & computing nodes) -workflow_repo_path: "/Users/runner/work/warlock/warlock" - -# Path for the output directory -# (absolute path is required, also: do not use "~" character - -# some HPC clusters evaluate it differently on login & computing nodes) -workflow_analysis_outdir: "/Users/runner/work/warlock/warlock/tests/test3/output" - -### DEMON PARAMETERS ### - -# spatial_structure -demon_log2_deme_carrying_capacity: 10 - -# dispersal -demon_migration_type: 0 -demon_init_migration_rate: "1e-04" -demon_migration_edge_only: 1 -demon_migration_rate_scales_with_K: 1 - -# mutation_rates -demon_mu_driver_birth: "1e-05" -demon_mu_passenger: 0.05 -demon_mu_driver_migration: 0.05 -demon_passenger_pop_threshold: -1 - -# fitness_effects -demon_normal_birth_rate: 0.8 -demon_baseline_death_rate: 0 -demon_s_driver_birth: 0.1 -demon_s_passenger: 0 -demon_s_driver_migration: 0.1 -demon_max_relative_birth_rate: 10 -demon_max_relative_migration_rate: 10 - -# non_biological_parameters -demon_init_pop: 1 -demon_matrix_max: -1 -demon_max_pop: 20000 -demon_max_time: 86400 -demon_max_generations: 2000 -demon_seed: 10 -demon_write_grid: 0 -demon_write_clones_file: 0 -demon_write_demes_file: 0 -demon_record_matrix: 0 -demon_write_phylo: 0 -demon_calculate_total_diversity: 0 -demon_biopsy_size_per_sample: 100 - -... diff --git a/tests/test3/output-macOS.md5 b/tests/test3/output-macOS.md5 deleted file mode 100644 index f7ecd6d..0000000 --- a/tests/test3/output-macOS.md5 +++ /dev/null @@ -1,25 +0,0 @@ -98b5dd77cb25bdc12efcd6c75650c9e4 output/simulations/00000000/output_birthratesgrid.dat -01ea9f533e85b5465da57d04a0ff6c92 output/simulations/00000000/phylo.dat -d41d8cd98f00b204e9800998ecf8427e output/simulations/00000000/driver_matrix.dat -5d7c519f79ffece79c255dcb722079d7 output/simulations/00000000/sample_size_log.dat -5bf9967e95e5502e7a8038c744d418c5 output/simulations/00000000/output_migrationratesgrid.dat -c562198643839cc0af6f42f5a6ea9dba output/simulations/00000000/output_driver_genotype_properties.dat -f7951f7dcd2f2e94fe650ffcd26976a3 output/simulations/00000000/config.dat -03df6d5b05ae7340543f235b59d871a6 output/simulations/00000000/demes.dat -d41d8cd98f00b204e9800998ecf8427e output/simulations/00000000/matrix.dat -2562f5b5650bd4cd13237ae298f881e7 output/simulations/00000000/output_genotype_properties.dat -908b1842ad34dc969cb94cd3b91d4868 output/simulations/00000000/clones.dat -9b452e031980e3bf31739abf37d825ab output/simulations/00000000/output_passengersgrid.dat -5f4c432414eceb25b77b8d96b3836359 output/simulations/00000000/output_driver_allele_counts.dat -7617a69ac6efd9938ed1213729665fd6 output/simulations/00000000/output.dat -a1d52bbfbeff1a2b5323118ce1c74dd0 output/simulations/00000000/output_driver_genotype_counts.dat -d32803f5d4897419377c44eaa81bed32 output/simulations/00000000/output_popgrid.dat -28d95ce544c819f4f72ef8c62b938076 output/simulations/00000000/output_normalcellsgrid.dat -f4af356106d4fc8f45d53c2035ad7869 output/simulations/00000000/output_diversities.dat -817b4b28859c4e970e4e7c986847cc3e output/simulations/00000000/output_allele_counts.dat -902637e55e0ba0bd6482b730283a0b0f output/simulations/00000000/output_deathrates_grid.dat -5b16b88ab7b69fa5c2a837f292f26b36 output/simulations/00000000/driver_phylo.dat -d41d8cd98f00b204e9800998ecf8427e output/simulations/00000000/.snakemake_timestamp -23f5a809ae524119a66a313ec1429251 output/simulations/00000000/output_driversgrid.dat -c41feaf637aeccc043339c319fafbae9 output/simulations/00000000/output_genotype_counts.dat -bdb896efaaecfb3fff38662da622269c output/simulations/00000000/parameters.dat From 90d03558f4333bc689b059fe4fc76769c6541b32 Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 10:06:28 +0100 Subject: [PATCH 16/19] submodule --- .gitmodules | 4 ++-- tests/resources/demonanalysis | 1 + 2 files changed, 3 insertions(+), 2 deletions(-) create mode 160000 tests/resources/demonanalysis diff --git a/.gitmodules b/.gitmodules index a3d11e6..633b067 100644 --- a/.gitmodules +++ b/.gitmodules @@ -1,6 +1,6 @@ [submodule "demon_model"] path = resources/demon_model url = https://github.com/robjohnnoble/demon_model -[submodule "demonanalysis"] - path = resources/demonanalysis +[submodule "tests/resources/demonanalysis"] + path = tests/resources/demonanalysis url = https://github.com/robjohnnoble/demonanalysis diff --git a/tests/resources/demonanalysis b/tests/resources/demonanalysis new file mode 160000 index 0000000..8ed218b --- /dev/null +++ b/tests/resources/demonanalysis @@ -0,0 +1 @@ +Subproject commit 8ed218bf0b4162f85922a2c398e39dce8de7f90f From 70f80d578b701e5d58af26591c1ccd2c29932ef4 Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 10:11:21 +0100 Subject: [PATCH 17/19] fix --- .github/workflows/test.yml | 1 - 1 file changed, 1 deletion(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 10ac60e..9e1d07e 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -43,7 +43,6 @@ jobs: conda info -a conda list conda clean --all --yes - ls resources - name: Print compiler path (Ubuntu) shell: bash -l {0} From 240810879d4788e6a20eb7e7e53eefba10cb21c9 Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 10:17:26 +0100 Subject: [PATCH 18/19] fix submodules --- .gitmodules | 3 --- 1 file changed, 3 deletions(-) diff --git a/.gitmodules b/.gitmodules index 633b067..0d75e08 100644 --- a/.gitmodules +++ b/.gitmodules @@ -1,6 +1,3 @@ [submodule "demon_model"] path = resources/demon_model url = https://github.com/robjohnnoble/demon_model -[submodule "tests/resources/demonanalysis"] - path = tests/resources/demonanalysis - url = https://github.com/robjohnnoble/demonanalysis From 78e17227a307bb64cec6dad3bc5df6aa587e9ce8 Mon Sep 17 00:00:00 2001 From: AngryMaciek Date: Wed, 6 Mar 2024 10:18:33 +0100 Subject: [PATCH 19/19] fix submodules --- .gitmodules | 3 +++ resources/demonanalysis | 1 + 2 files changed, 4 insertions(+) create mode 160000 resources/demonanalysis diff --git a/.gitmodules b/.gitmodules index 0d75e08..d4351ed 100644 --- a/.gitmodules +++ b/.gitmodules @@ -1,3 +1,6 @@ [submodule "demon_model"] path = resources/demon_model url = https://github.com/robjohnnoble/demon_model +[submodule "resources/demonanalysis"] + path = resources/demonanalysis + url = https://github.com/robjohnnoble/demonanalysis diff --git a/resources/demonanalysis b/resources/demonanalysis new file mode 160000 index 0000000..8ed218b --- /dev/null +++ b/resources/demonanalysis @@ -0,0 +1 @@ +Subproject commit 8ed218bf0b4162f85922a2c398e39dce8de7f90f