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WIP: add autoPROC pmodule #19

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duan_j commented 2026-07-17 18:26:03 +02:00
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Scaffold the standard 4-file Pmodule for autoPROC (Global Phasing Ltd.): build, modulefile, files/config.yaml, README.md. The PSI licence token (autoPROC/.licence) already existed and is installed into the software tree at build time.

Design (from repo archetypes):

  • Licence-gated install follows the phenix pattern: the snapshot tarball cannot be wget'd (Global Phasing download needs credentials), so it is staged by hand in the module dir as autoPROC_snapshot_[date].tar.gz and unpacked into PREFIX with --strip-components=1 (xds pattern). Not committed to git.
  • Runtime is activated by sourcing setup.sh via the modulefile.
  • CCP4 8.0 and XDS wired as runtime_deps: xds/20251103 (this repo) and ccp4/8.0 (site module placeholder - confirm with 'module avail ccp4').
  • Adds a .gitignore guard (autoPROC_snapshot_*.tar.gz) so the proprietary snapshot is never committed.

Version key is the snapshot date; 20240710 is a placeholder to edit to the real snapshot before building.

Not built locally - to be tested on Ra. See autoPROC/README.md for the build recipe and the assumptions to verify on first build (tarball layout / strip level, .licence location, the set +x nounset fix if load trips an unbound variable, and the ccp4 module name).

Scaffold the standard 4-file Pmodule for autoPROC (Global Phasing Ltd.): build, modulefile, files/config.yaml, README.md. The PSI licence token (autoPROC/.licence) already existed and is installed into the software tree at build time. Design (from repo archetypes): - Licence-gated install follows the phenix pattern: the snapshot tarball cannot be wget'd (Global Phasing download needs credentials), so it is staged by hand in the module dir as autoPROC_snapshot_[date].tar.gz and unpacked into PREFIX with --strip-components=1 (xds pattern). Not committed to git. - Runtime is activated by sourcing setup.sh via the modulefile. - CCP4 8.0 and XDS wired as runtime_deps: xds/20251103 (this repo) and ccp4/8.0 (site module placeholder - confirm with 'module avail ccp4'). - Adds a .gitignore guard (autoPROC_snapshot_*.tar.gz) so the proprietary snapshot is never committed. Version key is the snapshot date; 20240710 is a placeholder to edit to the real snapshot before building. Not built locally - to be tested on Ra. See autoPROC/README.md for the build recipe and the assumptions to verify on first build (tarball layout / strip level, .licence location, the set +x nounset fix if load trips an unbound variable, and the ccp4 module name).
duan_j added 1 commit 2026-07-17 18:26:03 +02:00
add autoPROC pmodule 9946b945d1 
Scaffold the standard 4-file Pmodule for autoPROC (Global Phasing Ltd.):
build, modulefile, files/config.yaml, README.md. The PSI licence token
(autoPROC/.licence) already existed and is installed into the software tree
at build time.

Follows the phenix archetype for the licence-gated install: the snapshot
tarball cannot be wget'd (download needs credentials), so it is staged by
hand in the module dir as autoPROC_snapshot_<date>.tar.gz and unpacked into
PREFIX with --strip-components=1 (xds pattern). Runtime is activated by
sourcing setup.sh via the modulefile.

CCP4 8.0 and XDS are wired as runtime_deps (xds from this repo; ccp4 is a
site module placeholder to confirm with `module avail ccp4`). Adds a
.gitignore guard so the proprietary snapshot is never committed.

Not built locally - to be tested on Ra.

Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
duan_j marked the pull request as work in progress 2026-07-17 19:33:14 +02:00
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Reference: mx/MX_Pmodule#19