Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

fix: Detach from anaconda #122

Merged
merged 3 commits into from
Sep 30, 2024
Merged
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
98 changes: 47 additions & 51 deletions Dockerfile
Original file line number Diff line number Diff line change
@@ -1,3 +1,5 @@
ARG VERSION=0.1.1

FROM condaforge/mambaforge:latest
LABEL io.github.snakemake.containerized="true"
LABEL io.github.snakemake.conda_env_hash="7a57714fe74eb25255d53b45e2095cd8a4dd4fe73db79006353670c432af97b1"
Expand All @@ -6,85 +8,79 @@ LABEL io.github.snakemake.conda_env_hash="7a57714fe74eb25255d53b45e2095cd8a4dd4f

# Conda environment:
# source: workflow/envs/NGmerge.yaml
# prefix: /conda-envs/c243bde7dc056785a077f6c33e56e8d6
# prefix: /conda-envs/8b5bbd33d7ccdbbe3a28773771abe2b3
# ---
# channels:
# - conda-forge
# - bioconda
# - defaults
# dependencies:
# - ngmerge=0.3
# - python
# - click
# - click
# - htslib
RUN mkdir -p /conda-envs/c243bde7dc056785a077f6c33e56e8d6
COPY workflow/envs/NGmerge.yaml /conda-envs/c243bde7dc056785a077f6c33e56e8d6/environment.yaml
RUN mkdir -p /conda-envs/8b5bbd33d7ccdbbe3a28773771abe2b3
COPY workflow/envs/NGmerge.yaml /conda-envs/8b5bbd33d7ccdbbe3a28773771abe2b3/environment.yaml

# Conda environment:
# source: workflow/envs/bbmap_samtools_htslib.yaml
# prefix: /conda-envs/575ebc82fb464fb2d0748323abbd3a13
# prefix: /conda-envs/f24b0ccfc23aadb93b466380cd592733
# ---
# channels:
# - bioconda
# - conda-forge
# - defaults
# dependencies:
# - bbmap
# - samtools
# - htslib
RUN mkdir -p /conda-envs/575ebc82fb464fb2d0748323abbd3a13
COPY workflow/envs/bbmap_samtools_htslib.yaml /conda-envs/575ebc82fb464fb2d0748323abbd3a13/environment.yaml
RUN mkdir -p /conda-envs/f24b0ccfc23aadb93b466380cd592733
COPY workflow/envs/bbmap_samtools_htslib.yaml /conda-envs/f24b0ccfc23aadb93b466380cd592733/environment.yaml

# Conda environment:
# source: workflow/envs/bwa_samtools_picard_htslib.yaml
# prefix: /conda-envs/f354d1f7a8fd64abb8ea8902ec91d399
# prefix: /conda-envs/a0a27bbdca540d02023c7fdcf819bfc1
# ---
# channels:
# - bioconda
# - conda-forge
# - defaults
# dependencies:
# - bwa
# - samtools
# - picard
# - htslib
RUN mkdir -p /conda-envs/f354d1f7a8fd64abb8ea8902ec91d399
COPY workflow/envs/bwa_samtools_picard_htslib.yaml /conda-envs/f354d1f7a8fd64abb8ea8902ec91d399/environment.yaml
RUN mkdir -p /conda-envs/a0a27bbdca540d02023c7fdcf819bfc1
COPY workflow/envs/bwa_samtools_picard_htslib.yaml /conda-envs/a0a27bbdca540d02023c7fdcf819bfc1/environment.yaml

# Conda environment:
# source: workflow/envs/default.yaml
# prefix: /conda-envs/9444545a0ebc79ec516fa74514742720
# prefix: /conda-envs/899c0a8c04c6edeed4b242dbc3e0e1c8
# ---
# channels:
# - conda-forge
# - bioconda
# - defaults
# dependencies:
# - htslib
RUN mkdir -p /conda-envs/9444545a0ebc79ec516fa74514742720
COPY workflow/envs/default.yaml /conda-envs/9444545a0ebc79ec516fa74514742720/environment.yaml
RUN mkdir -p /conda-envs/899c0a8c04c6edeed4b242dbc3e0e1c8
COPY workflow/envs/default.yaml /conda-envs/899c0a8c04c6edeed4b242dbc3e0e1c8/environment.yaml

# Conda environment:
# source: workflow/envs/fastqsplitter.yaml
# prefix: /conda-envs/dc242c7dafc90db387bc0290c31dc7ae
# prefix: /conda-envs/3feb999aa5bcd4bbdbc57fef247c18cc
# ---
# channels:
# - bioconda
# - defaults
# - conda-forge
# dependencies:
# - fastqsplitter
RUN mkdir -p /conda-envs/dc242c7dafc90db387bc0290c31dc7ae
COPY workflow/envs/fastqsplitter.yaml /conda-envs/dc242c7dafc90db387bc0290c31dc7ae/environment.yaml
RUN mkdir -p /conda-envs/3feb999aa5bcd4bbdbc57fef247c18cc
COPY workflow/envs/fastqsplitter.yaml /conda-envs/3feb999aa5bcd4bbdbc57fef247c18cc/environment.yaml

# Conda environment:
# source: workflow/envs/python3.yaml
# prefix: /conda-envs/dadb883da8c83465d38f12e012df0cd0
# prefix: /conda-envs/a4e1b935cbca52df9b6f192ff86c464c
# ---
# channels:
# - conda-forge
# - bioconda
# - defaults
# dependencies:
# - biopython
# - click
Expand All @@ -95,84 +91,84 @@ COPY workflow/envs/fastqsplitter.yaml /conda-envs/dc242c7dafc90db387bc0290c31dc7
# - python
# - pysam
# - pyfastx
RUN mkdir -p /conda-envs/dadb883da8c83465d38f12e012df0cd0
COPY workflow/envs/python3.yaml /conda-envs/dadb883da8c83465d38f12e012df0cd0/environment.yaml
RUN mkdir -p /conda-envs/a4e1b935cbca52df9b6f192ff86c464c
COPY workflow/envs/python3.yaml /conda-envs/a4e1b935cbca52df9b6f192ff86c464c/environment.yaml

# Conda environment:
# source: workflow/envs/r.yaml
# prefix: /conda-envs/e6c048b22dbbbe081b8d18143c20afe3
# prefix: /conda-envs/ae3e37bf43cbb30416a885168e10c552
# ---
# channels:
# - conda-forge
# - bioconda
# - defaults
# dependencies:
# - r-base
# - r-cowplot
# - r-cairo
# - r-optparse
# - r-tidyverse
RUN mkdir -p /conda-envs/e6c048b22dbbbe081b8d18143c20afe3
COPY workflow/envs/r.yaml /conda-envs/e6c048b22dbbbe081b8d18143c20afe3/environment.yaml
RUN mkdir -p /conda-envs/ae3e37bf43cbb30416a885168e10c552
COPY workflow/envs/r.yaml /conda-envs/ae3e37bf43cbb30416a885168e10c552/environment.yaml

# Conda environment:
# source: workflow/envs/python27.yaml
# prefix: /conda-envs/c1d850971f4158052cd52615fbc1591a
# prefix: /conda-envs/c2ee5a5886e2a786f23dd36e5c10752e
# ---
# channels:
# - bioconda
# - defaults
# - conda-forge
# dependencies:
# - htslib
# - pysam
# - python=2.7
# - samtools
RUN mkdir -p /conda-envs/c1d850971f4158052cd52615fbc1591a
COPY workflow/envs/python27.yaml /conda-envs/c1d850971f4158052cd52615fbc1591a/environment.yaml
RUN mkdir -p /conda-envs/c2ee5a5886e2a786f23dd36e5c10752e
COPY workflow/envs/python27.yaml /conda-envs/c2ee5a5886e2a786f23dd36e5c10752e/environment.yaml

# Conda environment:
# source: workflow/envs/cutadapt.yaml
# prefix: /conda-envs/e6c048b22dbbbe081b8d18143c20afe3
# prefix: /conda-envs/a3e2fce7f2f6fdbe1aa97232e3def601
# ---
# channels:
# - conda-forge
# - bioconda
# - defaults
# dependencies:
# - cutadapt
RUN mkdir -p /conda-envs/d49adba2589cd2a66656b9298acdbece
COPY workflow/envs/cutadapt.yaml /conda-envs/d49adba2589cd2a66656b9298acdbece/environment.yaml
RUN mkdir -p /conda-envs/a3e2fce7f2f6fdbe1aa97232e3def601
COPY workflow/envs/cutadapt.yaml /conda-envs/a3e2fce7f2f6fdbe1aa97232e3def601/environment.yaml

# Conda environment:
# source: workflow/envs/quarto.yaml
# prefix: /conda-envs/b8e51d222ab0d9caac2206a127729b1c
# prefix: /conda-envs/b933cc1aa7c25db04635e7ec0e37f80e
# ---
# channels:
# - conda-forge
# - bioconda
# - defaults
# dependencies:
# - python
# - quarto
# - jupyter
# - pandas
# - matplotlib
# - papermill
RUN mkdir -p /conda-envs/b8e51d222ab0d9caac2206a127729b1c
COPY workflow/envs/quarto.yaml /conda-envs/b8e51d222ab0d9caac2206a127729b1c/environment.yaml
RUN mkdir -p /conda-envs/b933cc1aa7c25db04635e7ec0e37f80e
COPY workflow/envs/quarto.yaml /conda-envs/b933cc1aa7c25db04635e7ec0e37f80e/environment.yaml



# Step 2: Generate conda environments

RUN mamba env create --prefix /conda-envs/c243bde7dc056785a077f6c33e56e8d6 --file /conda-envs/c243bde7dc056785a077f6c33e56e8d6/environment.yaml
RUN mamba env create --prefix /conda-envs/575ebc82fb464fb2d0748323abbd3a13 --file /conda-envs/575ebc82fb464fb2d0748323abbd3a13/environment.yaml
RUN mamba env create --prefix /conda-envs/f354d1f7a8fd64abb8ea8902ec91d399 --file /conda-envs/f354d1f7a8fd64abb8ea8902ec91d399/environment.yaml
RUN mamba env create --prefix /conda-envs/9444545a0ebc79ec516fa74514742720 --file /conda-envs/9444545a0ebc79ec516fa74514742720/environment.yaml
RUN mamba env create --prefix /conda-envs/dc242c7dafc90db387bc0290c31dc7ae --file /conda-envs/dc242c7dafc90db387bc0290c31dc7ae/environment.yaml
RUN mamba env create --prefix /conda-envs/dadb883da8c83465d38f12e012df0cd0 --file /conda-envs/dadb883da8c83465d38f12e012df0cd0/environment.yaml
RUN mamba env create --prefix /conda-envs/e6c048b22dbbbe081b8d18143c20afe3 --file /conda-envs/e6c048b22dbbbe081b8d18143c20afe3/environment.yaml
RUN mamba env create --prefix /conda-envs/c1d850971f4158052cd52615fbc1591a --file /conda-envs/c1d850971f4158052cd52615fbc1591a/environment.yaml
RUN mamba env create --prefix /conda-envs/d49adba2589cd2a66656b9298acdbece --file /conda-envs/d49adba2589cd2a66656b9298acdbece/environment.yaml
RUN mamba env create --prefix /conda-envs/b8e51d222ab0d9caac2206a127729b1c --file /conda-envs/b8e51d222ab0d9caac2206a127729b1c/environment.yaml
RUN mamba env create --no-default-packages --prefix /conda-envs/8b5bbd33d7ccdbbe3a28773771abe2b3 --file /conda-envs/8b5bbd33d7ccdbbe3a28773771abe2b3/environment.yaml
RUN mamba env create --no-default-packages --prefix /conda-envs/f24b0ccfc23aadb93b466380cd592733 --file /conda-envs/f24b0ccfc23aadb93b466380cd592733/environment.yaml
RUN mamba env create --no-default-packages --prefix /conda-envs/a0a27bbdca540d02023c7fdcf819bfc1 --file /conda-envs/a0a27bbdca540d02023c7fdcf819bfc1/environment.yaml
RUN mamba env create --no-default-packages --prefix /conda-envs/899c0a8c04c6edeed4b242dbc3e0e1c8 --file /conda-envs/899c0a8c04c6edeed4b242dbc3e0e1c8/environment.yaml
RUN mamba env create --no-default-packages --prefix /conda-envs/3feb999aa5bcd4bbdbc57fef247c18cc --file /conda-envs/3feb999aa5bcd4bbdbc57fef247c18cc/environment.yaml
RUN mamba env create --prefix /conda-envs/a4e1b935cbca52df9b6f192ff86c464c --file /conda-envs/a4e1b935cbca52df9b6f192ff86c464c/environment.yaml
RUN mamba env create --no-default-packages --prefix /conda-envs/ae3e37bf43cbb30416a885168e10c552 --file /conda-envs/ae3e37bf43cbb30416a885168e10c552/environment.yaml
RUN mamba env create --no-default-packages --prefix /conda-envs/c2ee5a5886e2a786f23dd36e5c10752e --file /conda-envs/c2ee5a5886e2a786f23dd36e5c10752e/environment.yaml
RUN mamba env create --no-default-packages --prefix /conda-envs/a3e2fce7f2f6fdbe1aa97232e3def601 --file /conda-envs/a3e2fce7f2f6fdbe1aa97232e3def601/environment.yaml
RUN mamba env create --no-default-packages --prefix /conda-envs/b933cc1aa7c25db04635e7ec0e37f80e --file /conda-envs/b933cc1aa7c25db04635e7ec0e37f80e/environment.yaml

# cleanup when version changed
ARG VERSION
RUN mamba clean --all -y
2 changes: 1 addition & 1 deletion workflow/Snakefile
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
##########################
#### containerization ####
##########################
containerized: "docker://visze/mprasnakeflow:0.1.0"
containerized: "docker://visze/mprasnakeflow:0.1.1"


#################
Expand Down
3 changes: 1 addition & 2 deletions workflow/envs/NGmerge.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -2,9 +2,8 @@
channels:
- conda-forge
- bioconda
- defaults
dependencies:
- ngmerge=0.3
- python
- click
- click
- htslib
1 change: 0 additions & 1 deletion workflow/envs/bbmap_samtools_htslib.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,6 @@
channels:
- bioconda
- conda-forge
- defaults
dependencies:
- bbmap
- samtools
Expand Down
1 change: 0 additions & 1 deletion workflow/envs/bwa_samtools_picard_htslib.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,6 @@
channels:
- bioconda
- conda-forge
- defaults
dependencies:
- bwa
- samtools
Expand Down
3 changes: 1 addition & 2 deletions workflow/envs/cutadapt.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,5 @@
channels:
- conda-forge
- bioconda
- defaults
dependencies:
- cutadapt
- cutadapt
3 changes: 1 addition & 2 deletions workflow/envs/default.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,5 @@
channels:
- conda-forge
- bioconda
- defaults
dependencies:
- htslib
- htslib
3 changes: 1 addition & 2 deletions workflow/envs/fastq_join.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -2,9 +2,8 @@
channels:
- conda-forge
- bioconda
- defaults
dependencies:
- fastq-join=1.3.1
- python
- click
- htslib
- htslib
1 change: 0 additions & 1 deletion workflow/envs/fastqsplitter.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,5 @@
channels:
- bioconda
- defaults
- conda-forge
dependencies:
- fastqsplitter
1 change: 0 additions & 1 deletion workflow/envs/python27.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,6 @@
channels:
- bioconda
- defaults
- conda-forge
dependencies:
- htslib
- pysam
Expand Down
1 change: 0 additions & 1 deletion workflow/envs/python3.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,6 @@
channels:
- conda-forge
- bioconda
- defaults
dependencies:
- biopython
- click
Expand Down
2 changes: 1 addition & 1 deletion workflow/envs/quarto.yaml
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
---
channels:
- conda-forge
- bioconda
- defaults
dependencies:
- python
- quarto
Expand Down
1 change: 0 additions & 1 deletion workflow/envs/r.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,6 @@
channels:
- conda-forge
- bioconda
- defaults
dependencies:
- r-base
- r-cowplot
Expand Down
Loading