# BUSTER

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:

```sh
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):

```sh
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).