This is a Dockerfile to build the molecuilder debian package.

1. install dev packages
2. compile boost
3. compile molecuilder (creating debian archive)
4. copy debian archive to next stage
5. install non-dev packages
6. install libqt3d and molecuilder package (from build-stage)


### Issues

- molecuilder does not seem to work with boost 1.61 (and above?), we used
  boost 1.58 (default with Ubuntu 16.04), boost-related compilation errors
- we want to base on python3 (for use in jupyter notebooks, ipykernel needs
  python3.4 or higher). Therefore, we need to compile boost ourselves
  as Ubunut 16.04 links to python2.7 still, see user-config.jam
- ax_python.m4 (w.r.t molecuilder v1.6.1) need to be adapted to python3.5m
(- we build unsigned packages as this should proceed non-interactively)
- instead of building debian packages, we build binaries and copy these to
  the next stage

### 2022-10-22

This works now with ubuntu18.04 and boost-1.69 and python3.

### 2023-09-14

Under Ubuntu20.04 I need to add `-lboost_python3.8` in **m4/boost.m4**.
However, this breaks compilation under Ubuntu 18.04. Hence, remember to
remove this again (in the distributable).

### 2025-08-09

You need:
- a tarball of boost-1.69, obtain from boost.org
- libqt4-3d_1.0-tp2_amd64.deb and libqt4-3d-dev_1.0-tp2_amd64.deb debian packages
  (these are for Qt4.8's Qt3D)
- molecuilder's tarball. Obtain via `make dist` from the build folder
- adjust the MOLECUILDER_VERSION in the Dockerfile to match the current version.