Hi,
I am a French System. administrator and I just wanted to know it you would consider adding Modeller to the Spack package manager ? It is a very useful and flexible package managers that is used mostly in HPC Supercomputer environments. There are already 7000+ package recipes available and many worldwide HPC supercomputers use Spack. I believe it would be really useful for the scientific (and bioinformatics) community to have Modeller available too.
Here are some useful links: Main homepage: https://spack.io/ Documentation: https://spack.readthedocs.io/en/latest/index.html Github: https://github.com/spack/spack
Adding a recipe to build/compile a program such as Modeller would not be too complicated, it is just that one must adapt the actual Install script. As is, the installation of modeler via your Install script does not really fit into the “usual” ways of building softwares such as make, cmake, or for python packages pypi, setuptools, etc.
Thank you in advance for considering the effort, Best regards, Gabriel Cretin
-------------------- Gabriel Cretin Ingénieur d'études - Administrateur des systèmes d'information Inserm | Université Paris Cité | DSIMB UMR_S U1134 Site Broussais, Bâtiment Ady Steg 8 rue Maria Helena Vieira Da Silva | 75014 Paris Tél. 01 81 72 43 31 | Mob. 07 81 70 35 15 [signature_2765755402]
On 10/10/23 12:35 PM, Gabriel CRETIN via modeller_usage wrote: > I am a French System. administrator and I just wanted to know it you > would consider adding Modeller to the Spack package manager ?
We don't have any objection to you - or anyone else - contributing a package to Spack (or any other package manager), subject to the Modeller license, of course. It looks like you would just need to open a pull request at their GitHub, https://github.com/spack/spack/pulls
> As is, the installation of modeler via your Install script does > not really fit into the “usual” ways of building softwares such as make, > cmake, or for python packages pypi, setuptools, etc.
Indeed, because the Install script just installs pre-built binaries; we cannot distribute source code for Modeller, so there is nothing to compile. Any Spack package would need to repackage these binaries, e.g. as is currently done for the conda package: https://github.com/salilab/conda-recipes/tree/main/modeller
Ben Webb, Modeller Caretaker
participants (2)
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Gabriel CRETIN
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Modeller Caretaker