add autoPROC pmodule

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>
This commit is contained in:
2026-07-17 18:25:29 +02:00
co-authored by Claude Fable 5
parent de75837b93
commit 9946b945d1
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#%Module1.0
module-whatis "autoPROC: automated data processing for macromolecular crystallography"
module-url "https://www.globalphasing.com/autoproc/"
module-license "Global Phasing Ltd. proprietary licence"
module-maintainer "MX Data <jiaxin.duan@psi.ch>"
module-help "
autoPROC (Global Phasing Ltd.) is an automated pipeline for integrating and scaling
macromolecular crystallography diffraction data. It wraps XDS, CCP4 and other tools and
requires a valid Global Phasing licence plus CCP4 8.0 and XDS at runtime (both pulled in
as module dependencies).
"
# autoPROC is activated by sourcing its setup script (sets autoPROC_home, PATH, etc.).
puts stdout "source $PREFIX/setup.sh;"