Commit 49245acd authored by Martino Bertoni's avatar Martino Bertoni 🌋
Browse files

moved lite to ubuntu, cleaned signularity dir, fixed readme

parent b1b4c384
Pipeline #2608 failed with stages
in 22 minutes and 25 seconds
......@@ -42,7 +42,7 @@ All the dependencies for the CC will be bundled within a singularity image gener
Generating such an image requires roughly 20 minutes:
1. [Install Singularity](https://sylabs.io/guides/3.8/admin-guide/admin_quickstart.html#installation-from-source)
1. [Install Singularity (version > 3.6)](https://sylabs.io/guides/3.8/admin-guide/admin_quickstart.html#installation-from-source)
$ sudo apt-get update && sudo apt-get install -y \
build-essential \
......@@ -207,8 +207,7 @@ Not re-inventing the wheel is a great philosophy, but each dependency we introdu
To do so you can add a `pip install <package_of_your_dreams>` line to the following files in container/singularity:
* cc-full.def (the definition file used by setup_chemicalchecker.sh)
* cc_py36.def (unit-testing Python 3 environment)
* cc_py37.def (unit-testing Python 3 environment)
Don't forget to also add a short comment on why and where this new dependency is used, also in the commit message. E.g. "Added dependency used in preprocessing for space B5.003". The idea is that whenever B5.003 is obsoleted we can also safely remove the dependency.
......@@ -235,4 +234,4 @@ git tag v1.0.2
git push origin v1.0.2
```
This will trigger CI pipeline to publish the package officially (and definetively) on (PyPI)[https://pypi.org/project/chemicalchecker/#history]
This will trigger CI pipeline to publish the package officially (and definetively) on [PyPI](https://pypi.org/project/chemicalchecker/#history)
BootStrap: docker
From: centos
Bootstrap: docker
From: ubuntu:20.04
%environment
# PATHS
......@@ -16,28 +16,26 @@ From: centos
mkdir -p /aloy/web_checker
mkdir -p /slgpfs
# update yum
yum update -y
# update apt
apt update -y
# basic packages
yum install -y gcc \
gcc-c++ \
gcc-gfortran \
# basic packages (~2 min)
DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends tzdata
apt install -y build-essential \
gcc \
graphviz \
cmake \
make \
git \
wget \
curl \
which \
vim \
bzip2 \
bzip2-devel \
libbz2-dev \
file \
libXrender \
libXext \
postgresql-server \
postgresql-contrib \
epel-release
libxrender-dev \
libxext-dev \
postgresql \
postgresql-contrib
# conda
mkdir -p /opt/miniconda3
......@@ -49,8 +47,9 @@ From: centos
# create and activate conda enviroment
conda update conda -y
. /opt/miniconda3/etc/profile.d/conda.sh
conda create --name=py37 python=3.7 -y
source activate py37
conda activate py37
# basic requirements
pip install numpy
......
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