BUSTER (Global Phasing Ltd.) — macromolecular refinement suite: refine, grade2, rhofit, buster-report, pipedream, ... Licence-gated: the PSI licence token is committed as BUSTER/.licence and installed into the software tree at build time.

Upstream: https://www.globalphasing.com/buster/
Install doc followed: https://www.globalphasing.com/buster/manual/installation/CentOS7_64bit/index.html

Dependencies (per the GPhL doc)

Doc requirement	On Ra
CCP4 (all components; also provides coot for `visualise-*-coot`)	`runtime_deps: ccp4/8.0`
ImageMagick (buster-report)	`runtime_deps: ImageMagick/7.1.2-30`
PyMOL (buster-report)	`runtime_deps: pymol-open-source/3.1.0`
TeX/LaTeX (buster-report PDF)	system RPM — ask admins for `texlive` if missing
CSD-Core (Grade2, Mogul validation)	not licensed on Ra → `BDG_CSD_TOP_DIRECTORY=none`
autoPROC (optional, pipedream)	`module load autoPROC` by hand

The build writes $PREFIX/setup_local.sh (GPhL configure step) with BDG_CSD_TOP_DIRECTORY=none and the obsolete CSD variables unset, so Grade2 and Mogul checks are cleanly disabled. If PSI ever licenses CSD-Core, point that variable at the CCDC top dir (must contain ccdc-software/) and rebuild — or edit the installed file in place. The doc's BUSTER_latest symlink is not needed: Pmodules versioning covers it.

Build on Ra

Stage the licence-gated snapshot by hand (download needs GPhL credentials, so no urls:): save it in this module dir as BUSTER_snapshot_<date>.tar.gz (gitignored). Then:

module use unstable && module load modbuild/2.1.3
cd BUSTER
modbuild build \
    --tmpdir=/das/work/p21/p21515/.cache/Pmodules \
    --distdir=/das/work/p21/p21515/.cache/Pmodules \
    20240710
module use MX unstable && module load BUSTER/20240710

Verifying the install

GPhL ships checkdeps exactly for this (~10 s; -n skips per-program prompts):

module load BUSTER/20240710
checkdeps -n

Expected FINAL SUMMARY: SUCCESS for refine (licence), hydrogenate, buster-report, pipedream; grade/grade2 will FAIL by design (CSD disabled). refine -h should show licence info. Also run checkdeps once from a normal user account to catch permission issues.

Adding a new version

Stage the new BUSTER_snapshot_<date>.tar.gz here, add the date under versions: in files/config.yaml, build as above. setup_local.sh carries over automatically (the build regenerates it).