abinit / homebrew-tap

Homebrew tap for Abinit

Homebrew tap for ABINIT

This is a Homebrew tap for the Abinit code.

Installing ABINIT

Install Homebrew and run

brew tap abinit/tap
brew install abinit

Notes:

• Always use the latest Homebrew version (use brew upgrade).
• Bottles for all macOS versions and hardware (Intel and Mac Silicon arm64) are not always provided. If so, abinit will be built on the fly during installation process. The build only takes 5' on a Macbook M1 (2022).

If you experience difficulties with precompiled bottles (following an update of homebrew, for example), you can force the re-compilation of abinit: brew install --build-from-source abinit If you experience an error like curl: (60) SSL certificate problem, try this: HOMEBREW_FORCE_BREWED_CURL=1 brew install abinit

Installing post-processing tool AGATE

This tap also contains agate (Abinit Graphical Analysis Tool Engine) and its Qt interface qAgate. You can install agate with

brew install agate

Independently, you can install qAgate (graphical interface for agate) with

brew install qagate

The .app will be place in ${HOMEBREW_PREFIX}/opt/qagate/bin To make the app appear in the launcher, you can then make a symlink to /Applications/. Just type: ln -s ${HOMEBREW_PREFIX}/opt/qagate/bin/qAgate.app /Applications.

You also can install qagate via a cask(a precompiled version):

brew install --cask qagate

The app will directly appear in the launcher.

Note: if macOS complains because qAgate is from an unidentified developer, allow it in the MacOS settings.
If macOS reports that the app is damaged, type sudo spctl --master-disable in a terminal and select Anywhere In Settings/Privacy & Security/Security (see this).

Building bottles

This section is for the abinit maintainers...

Homebrew formulae can include compiled binaries, which it calls "bottles". To build a new bottle (perhaps for a new operating system or Abinit release):

1. brew install --build-bottle abinit (or brew install --build-bottle abinit --with-testsuite to install the whole test suite).
2. brew bottle abinit --keep-old --root-url=http://forge.abinit.org/homebrew and note the lines of output it gives you (root_url, sha256, etc.).
3. Rename the bottle to use a single hyphen (e.g. abinit--9.10.1.catalina.bottle.tar.gz to abinit-9.10.1.catalina.bottle.tar.gz). On linux, run sha256sum on the renamed file, and use the result to replace the bottle hash from previous item.
4. Upload the resulting file to http://forge.abinit.org/homebrew.
5. Update the abinit formula with the bottle SHA and tag, in the bottle section with the custom URL.

New installs will then use this bottle.