Commit b22ade5e authored by Martino Bertoni's avatar Martino Bertoni 🌋
Browse files

yet another approach

parent f2cdf36d
image: informaticsmatters/rdkit-python3-centos:latest image: continuumio/miniconda3:latest
variables:
PIP_CACHE_DIR: "$CI_PROJECT_DIR/.cache/pip"
cache:
paths:
- .cache/pip
- venv/
before_script: before_script:
#- yum install gcc python3-dev python3-pip libxml2-dev libxslt1-dev zlib1g-dev g++
- python --version - 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 - pip install -r requirements.txt
stages: stages:
......
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