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signaturizer
Commits
b22ade5e
Commit
b22ade5e
authored
Jul 02, 2020
by
Martino Bertoni
🌋
Browse files
yet another approach
parent
f2cdf36d
Changes
1
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.gitlab-ci.yml
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b22ade5e
image
:
informaticsmatters/rdkit-python3-centos:latest
variables
:
PIP_CACHE_DIR
:
"
$CI_PROJECT_DIR/.cache/pip"
cache
:
paths
:
-
.cache/pip
-
venv/
image
:
continuumio/miniconda3:latest
before_script
:
#- yum install gcc python3-dev python3-pip libxml2-dev libxslt1-dev zlib1g-dev g++
-
python --version
-
conda create --no-default-packages -n signaturizer_env -y python
-
conda activate signaturizer_env
-
conda install -c conda-forge -y rdkit
-
pip install -r requirements.txt
stages
:
...
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