duan_jandClaude Fable 5
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>
17 lines
711 B
Plaintext
17 lines
711 B
Plaintext
#%Module1.0
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module-whatis "autoPROC: automated data processing for macromolecular crystallography"
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module-url "https://www.globalphasing.com/autoproc/"
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module-license "Global Phasing Ltd. proprietary licence"
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module-maintainer "MX Data <jiaxin.duan@psi.ch>"
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module-help "
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autoPROC (Global Phasing Ltd.) is an automated pipeline for integrating and scaling
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macromolecular crystallography diffraction data. It wraps XDS, CCP4 and other tools and
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requires a valid Global Phasing licence plus CCP4 8.0 and XDS at runtime (both pulled in
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as module dependencies).
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"
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# autoPROC is activated by sourcing its setup script (sets autoPROC_home, PATH, etc.).
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puts stdout "source $PREFIX/setup.sh;"
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