| 1 | This is a Dockerfile to build the molecuilder debian package.
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| 2 |
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| 3 | 1. install dev packages
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| 4 | 2. compile boost
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| 5 | 3. compile molecuilder (creating debian archive)
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| 6 | 4. copy debian archive to next stage
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| 7 | 5. install non-dev packages
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| 8 | 6. install libqt3d and molecuilder package (from build-stage)
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| 9 |
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| 10 |
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| 11 | ### Issues
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| 12 |
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| 13 | - molecuilder does not seem to work with boost 1.61 (and above?), we used
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| 14 | boost 1.58 (default with Ubuntu 16.04), boost-related compilation errors
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| 15 | - we want to base on python3 (for use in jupyter notebooks, ipykernel needs
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| 16 | python3.4 or higher). Therefore, we need to compile boost ourselves
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| 17 | as Ubunut 16.04 links to python2.7 still, see user-config.jam
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| 18 | - ax_python.m4 (w.r.t molecuilder v1.6.1) need to be adapted to python3.5m
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| 19 | (- we build unsigned packages as this should proceed non-interactively)
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| 20 | - instead of building debian packages, we build binaries and copy these to
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| 21 | the next stage
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| 22 |
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| 23 | ### 2022-10-22
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| 24 |
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| 25 | This works now with ubuntu18.04 and boost-1.69 and python3.
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| 26 |
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| 27 | ### 2023-09-14
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| 28 |
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| 29 | Under Ubuntu20.04 I need to add `-lboost_python3.8` in **m4/boost.m4**.
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| 30 | However, this breaks compilation under Ubuntu 18.04. Hence, remember to
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| 31 | remove this again (in the distributable).
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| 32 |
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| 33 | ### 2025-08-09
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| 34 |
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| 35 | You need:
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| 36 | - a tarball of boost-1.69, obtain from boost.org
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| 37 | - libqt4-3d_1.0-tp2_amd64.deb and libqt4-3d-dev_1.0-tp2_amd64.deb debian packages
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| 38 | (these are for Qt4.8's Qt3D)
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| 39 | - molecuilder's tarball. Obtain via `make dist` from the build folder
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| 40 | - adjust the MOLECUILDER_VERSION in the Dockerfile to match the current version.
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| 41 |
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