Arch Linux User Repository

Note: you probably want to install the binary version of NUPACK 4, not this source build. See below for more details.

NUPACK is available under a restricted license that is largely similar to the BSD 3-clause license, updated to address web applications, but with the notable exception that it allows for use and redistribution "non-commercial academic purposes only". Furthermore, access to the downloads requires requires a username and password that can be obtained through (free) registration, and sources and binary wheels are intentionally not in PyPI. While the license appears to allow for redistribution, in the interest of following the authors' wishes, this PKGBUILD does provide the source code automatically.

To use this PKGBUILD, if you can agree to the non-commercial academic license, register for a username and password at https://www.nupack.org/downloads, download the NUPACK 4 zip file there, and place the zip file in the same directory as this PKGBUILD.

Note that this PKGBUILD is for source installation, which may be significantly more complicated than simply installing a binary wheel, also available from the Nupack website. The intention of this PKGBUILD is to attempt to make source installation work smoothly in Arch Linux, using Arch and AUR packages as much as possible, and allowing installation in circumstances (for example, more recent Python versions) where binary wheels may not be suitable. The PKGBUILD makes certain changes to the build process:

• The default build process uses a bundled vcpkg to build and install a number of external dependencies. This build process did not work on Arch the last time I tried it. The PKGBUILD removes vcpkg from the build process entirely, and instead uses Arch and AUR packages. In many cases, this means that newer versions of those dependencies are used than in the normal build process, which may cause breakages.
• NUPACK 4 relies on an older version of TBB, and newer versions removed parts of the API it uses. This PKGBUILD thus requires an older version of TBB, which may cause problems for other packages on your system.
• One error message in NUPACK 4 does not work well with newer versions of spdlog and fmt, and so is commented out.
• SIMD support is currently disabled, as (a) libsimdpp is not currently in the AUR, and (b) when installed (I have a PKGBUILD for it locally), NUPACK 4 has build errors wwhen NUPACK_SIMD=ON that I don't currently understand.

Maintaining this package is not practically sustainable, given the complicated build process seemingly not intended for others, the frequent dependencies and dependency changes on specific and outdated versions of libraries, compilers and build tools, and the difficult licensing situation. As was the case with the 4.0.0.28 version here, an updated PKGBUILD would also likely require installation of numerous outdated dependencies conflicting with many other packages. Archlinux's normal package building process is likely not well suited to building nupack: a container-based setup with a specific distribution version would likely be more effective. The drive-by out-of-date flag about the outdated dependencies from someone who doesn't seem to use the package, and presumably did not to read the pinned comment explaining them, was also not constructive.

The PKGBUILD here would work for 4.0.0.28 (if tbb2019 were still availiable), but updating to 4.0.2.0 seems like it would require extensive changes; the process appears to be incompatible with cmake 14, with recent clang, and with current versions of a number of new dependencies, and also appears to have some new dependencies not available in AUR.

Note: you probably want to install the binary version of NUPACK 4, not this source build. See below for more details.

NUPACK is available under a restricted license that is largely similar to the BSD 3-clause license, updated to address web applications, but with the notable exception that it allows for use and redistribution "non-commercial academic purposes only". Furthermore, access to the downloads requires requires a username and password that can be obtained through (free) registration, and sources and binary wheels are intentionally not in PyPI. While the license appears to allow for redistribution, in the interest of following the authors' wishes, this PKGBUILD does provide the source code automatically.

To use this PKGBUILD, if you can agree to the non-commercial academic license, register for a username and password at https://www.nupack.org/downloads, download the NUPACK 4 zip file there, and place the zip file in the same directory as this PKGBUILD.

Note that this PKGBUILD is for source installation, which may be significantly more complicated than simply installing a binary wheel, also available from the Nupack website. The intention of this PKGBUILD is to attempt to make source installation work smoothly in Arch Linux, using Arch and AUR packages as much as possible, and allowing installation in circumstances (for example, more recent Python versions) where binary wheels may not be suitable. The PKGBUILD makes certain changes to the build process:

• The default build process uses a bundled vcpkg to build and install a number of external dependencies. This build process did not work on Arch the last time I tried it. The PKGBUILD removes vcpkg from the build process entirely, and instead uses Arch and AUR packages. In many cases, this means that newer versions of those dependencies are used than in the normal build process, which may cause breakages.
• NUPACK 4 relies on an older version of TBB, and newer versions removed parts of the API it uses. This PKGBUILD thus requires an older version of TBB, which may cause problems for other packages on your system.
• One error message in NUPACK 4 does not work well with newer versions of spdlog and fmt, and so is commented out.
• SIMD support is currently disabled, as (a) libsimdpp is not currently in the AUR, and (b) when installed (I have a PKGBUILD for it locally), NUPACK 4 has build errors wwhen NUPACK_SIMD=ON that I don't currently understand.