66 lines
2.4 KiB
Markdown
66 lines
2.4 KiB
Markdown
# BUSTER
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BUSTER (Global Phasing Ltd.) — macromolecular refinement suite:
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`refine`, `grade2`, `rhofit`, `buster-report`, `pipedream`, ...
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Licence-gated: the PSI licence token is committed as `BUSTER/.licence`
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and installed into the software tree at build time.
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- Upstream: https://www.globalphasing.com/buster/
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- Install doc followed: https://www.globalphasing.com/buster/manual/installation/CentOS7_64bit/index.html
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## Dependencies (per the GPhL doc)
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| Doc requirement | On Ra |
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|---|---|
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| CCP4 (all components; also provides coot for `visualise-*-coot`) | `runtime_deps: ccp4/8.0` |
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| ImageMagick (buster-report) | `runtime_deps: ImageMagick/7.1.2-30` |
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| PyMOL (buster-report) | `runtime_deps: pymol-open-source/3.1.0` |
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| TeX/LaTeX (buster-report PDF) | system RPM — ask admins for `texlive` if missing |
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| CSD-Core (Grade2, Mogul validation) | not licensed on Ra → `BDG_CSD_TOP_DIRECTORY=none` |
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| autoPROC (optional, pipedream) | `module load autoPROC` by hand |
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The build writes `$PREFIX/setup_local.sh` (GPhL configure step) with
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`BDG_CSD_TOP_DIRECTORY=none` and the obsolete CSD variables unset, so
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Grade2 and Mogul checks are cleanly disabled. If PSI ever licenses
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CSD-Core, point that variable at the CCDC top dir (must contain
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`ccdc-software/`) and rebuild — or edit the installed file in place.
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The doc's `BUSTER_latest` symlink is not needed: Pmodules versioning
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covers it.
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## Build on Ra
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Stage the licence-gated snapshot by hand (download needs GPhL
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credentials, so no `urls:`): save it in this module dir as
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`BUSTER_snapshot_<date>.tar.gz` (gitignored). Then:
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```sh
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module use unstable && module load modbuild/2.1.3
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cd BUSTER
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modbuild build \
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--tmpdir=/das/work/p21/p21515/.cache/Pmodules \
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--distdir=/das/work/p21/p21515/.cache/Pmodules \
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20240710
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module use MX unstable && module load BUSTER/20240710
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```
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## Verifying the install
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GPhL ships `checkdeps` exactly for this (~10 s; `-n` skips per-program
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prompts):
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```sh
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module load BUSTER/20240710
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checkdeps -n
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```
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Expected FINAL SUMMARY: SUCCESS for refine (licence), hydrogenate,
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buster-report, pipedream; grade/grade2 will FAIL by design (CSD
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disabled). `refine -h` should show licence info. Also run `checkdeps`
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once from a normal user account to catch permission issues.
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## Adding a new version
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Stage the new `BUSTER_snapshot_<date>.tar.gz` here, add the date under
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`versions:` in `files/config.yaml`, build as above. `setup_local.sh`
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carries over automatically (the build regenerates it).
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