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python3: add missing packages #274

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Aug 23, 2024
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1 change: 1 addition & 0 deletions CHANGELOG.md
Original file line number Diff line number Diff line change
Expand Up @@ -21,6 +21,7 @@ If MD5 sum is not listed for a certain release then it means that the container

### Added

* Add Python packages `imbalanced-learn, lightgbm, openpyxl` + PRSice_linux binary to `python3.sif` container
* Add Conda environment file for project dependencies
* Add Python packages `scikit-survival, pandas-plink, numba, xmltodict, pyliftover, configparser, intervaltree` to `python3.sif` container
* Add `Haplin`, `WSpiller/MVMR`, `noahlorinczcomi/MRBEE` R packages to `r.sif` container
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10 changes: 9 additions & 1 deletion docker/dockerfiles/python3/Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -22,14 +22,17 @@ RUN mamba install python=3.10.6 \
configparser=7.0.0 \
"h5py=3.7.0=nompi*" \
jupyterlab=3.4.8 \
lightgbm=4.5.0 \
lifelines=0.27.0 \
imbalanced-learn=0.12.3 \
intervaltree=3.1.0 \
matplotlib-venn=0.11.5 \
matplotlib=3.6.0 \
more-itertools=9.0.0 \
numdifftools=0.9.39 \
numba=0.60.0 \
numpy=1.23.3 \
openpyxl=3.1.5 \
pandas=1.5.0 \
pandas-plink=2.2.9 \
psutil=5.9.3 \
Expand All @@ -46,7 +49,6 @@ RUN mamba install python=3.10.6 \
--yes && \
mamba clean -a -y


# pip install stuff in env.
RUN pip install --no-cache-dir cbgen==1.0.2 && \
pip install --no-cache-dir bgen-reader==4.0.8 && \
Expand Down Expand Up @@ -75,6 +77,12 @@ WORKDIR /tools/ukb
RUN git clone https://github.com/precimed/ukb.git . && \
git reset --hard dc57e0d8380cd9b2eca479dc6f181d76ca5a429a

# PRSice_linux binary (useful)
WORKDIR /tmp/prsice
COPY /scripts/install_prsice.sh /tmp/prsice/
RUN bash /tmp/prsice/install_prsice.sh && \
rm -rf /tmp/prsice

WORKDIR /tools

# https://github.com/comorment/containers/issues/267:
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7 changes: 7 additions & 0 deletions tests/test_python3.py
Original file line number Diff line number Diff line change
Expand Up @@ -15,6 +15,10 @@ def test_python3_plink():
out = subprocess.run(call.split(' '))
assert out.returncode == 0

def test_python3_prsice():
call = f'singularity run {pth} PRSice_linux --version'
out = subprocess.run(call.split(' '))
assert out.returncode == 0

def test_python3_python():
call = f'singularity run {pth} python --version'
Expand Down Expand Up @@ -51,14 +55,17 @@ def test_python3_packages():
packages = [
'configparser',
'h5py',
'imblearn',
'intervaltree',
'ldpred',
'lifelines',
'lightgbm',
'matplotlib',
'matplotlib_venn',
'numba',
'numdifftools',
'numpy',
'openpyxl',
'pandas',
'pandas_plink',
'plinkio',
Expand Down
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