Update READMEs: Pmodules wiki background, unx-mx_adm permissions, build-* propagation notes
- main README: add Pmodules background from wiki, unx-mx_adm group replaces -adm account for updating modules in /etc/psi/MX, and how to propagate main to the build-* tutorial branches - module READMEs: fix titles/paths to match module directories (DIALS, jfjoch_viewer), replace -adm login steps with unx-mx_adm note Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
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@@ -1,11 +1,6 @@
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XDS
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# DIALS
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Step 1: login with your -adm account
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```
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kinit xxxx_x-adm
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aklog
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```
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Step 1: make sure you are in the `unx-mx_adm` group -- no -adm account needed, members can update the modules in `/etc/psi/MX` directly (if you have problems, please let the admins know)
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Step 2: load the latest Pmodules package
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@@ -1,10 +1,47 @@
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# MX
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This project includes all MX modules in use.
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This project includes all MX modules in use.
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All modules are build with modbuild/2.1.2
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Documentation for how-to-build modules can be found in: https://github.com/Pmodules/Pmodules/wiki
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## Pmodules background (from the wiki)
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- Modules are organized in hierarchical groups; all modules in this repo belong to the `MX` group (`module use MX`).
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- Filesystem layout: modulefile at `$PREFIX/GROUP/modulefiles/NAME/VERSION`, installation at `$PREFIX/GROUP/NAME/VERSION`, per-version config at `$PREFIX/GROUP/modulefiles/NAME/.config-VERSION` (YAML).
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- Release stages: **unstable**, **stable**, **deprecated**. Newly built modules land in unstable; opt in with `module use unstable`.
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- Pmodules automatically sets `$NAME_DIR`, `$NAME_HOME`, `$NAME_PREFIX`, `$NAME_VERSION` on load and prepends standard directories (`$PREFIX/bin` to `PATH`, `$PREFIX/lib` to `LD_LIBRARY_PATH`, ...) if they exist -- no explicit `setenv`/`prepend-path` needed in the modulefile.
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## Permissions
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No need to switch to an -adm account any more: members of the `unx-mx_adm` group can update the modules in `/etc/psi/MX` directly. If you run into permission problems, please let the admins know.
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## Tutorial branches (build-*)
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Each participant works on their own `build-<module>` branch (e.g. `build-dials`). All of them start from `main`.
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To propagate new material from `main` to the `build-*` branches:
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While the branches are still identical to main (fast-forward, no force needed):
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```
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git push origin main:build-dials main:build-buster main:build-careless main:build-crystfel main:build-phenix main:build-pymol main:build-autoproc main:build-xtrapol8
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for b in dials buster careless crystfel phenix pymol autoproc xtrapol8; do
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git branch -f build-$b main
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done
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```
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Once the branches have diverged (people committed on them), merge main into each instead:
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```
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for b in dials buster careless crystfel phenix pymol autoproc xtrapol8; do
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git checkout build-$b && git merge main && git push
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done
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git checkout main
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```
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If `git push origin main:build-xxx` fails with "non-fast-forward", the branch has its own commits: switch to the merge loop, do not force-push over other people's work.
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## Module tips
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1. modules is name/version (not name/name-version)
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+2
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@@ -94,9 +94,9 @@ flags.DEFINE_boolean('use_gpu_relax', True, 'Whether to relax on GPU. '
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Add version to files/variants. The version number should match a github tag
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(e.g. `v2.0.1`) or else have the commit hash as `$V_RELEASE`.
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As admin user:
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As a member of the `unx-mx_adm` group (no -adm account needed; if you have problems, please let the admins know):
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```
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cd MX/alphafold
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cd alphafold
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./build <version>
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```
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+1
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@@ -8,12 +8,7 @@ dependencies.
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## Build on Ra
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Step 1: login with your `-adm` account
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```
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kinit xxxx_x-adm
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aklog
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```
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Step 1: make sure you are in the `unx-mx_adm` group -- no -adm account needed, members can update the modules in `/etc/psi/MX` directly (if you have problems, please let the admins know)
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Step 2: load the latest Pmodules package
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@@ -1,11 +1,6 @@
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jfjviewer
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# jfjoch_viewer
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Step 1: login with your -adm account
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```
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[smith_k@ra-l-005 xds]$ kinit smith_k-adm
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[smith_k@ra-l-005 xds]$ aklog
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```
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Step 1: make sure you are in the `unx-mx_adm` group -- no -adm account needed, members can update the modules in `/etc/psi/MX` directly (if you have problems, please let the admins know)
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Step 2: load the latest Pmodules package
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@@ -14,10 +9,10 @@ module use unstable
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module load Pmodules/1.1.20
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```
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Step 3: go into xds directory, update config.yaml to add newest release version and build module with that release name (e.g. below is for 20240724)
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Step 3: go into jfjoch_viewer directory, update config.yaml to add newest release version and build module with that release name
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```
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cd jfjviewer
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cd jfjoch_viewer
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vi files/config.yaml
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./build 1.0.0-rc.156
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```
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+2
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@@ -1,11 +1,6 @@
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XDS
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# XDS
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Step 1: login with your -adm account
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```
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[smith_k@ra-l-005 xds]$ kinit smith_k-adm
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[smith_k@ra-l-005 xds]$ aklog
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```
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Step 1: make sure you are in the `unx-mx_adm` group -- no -adm account needed, members can update the modules in `/etc/psi/MX` directly (if you have problems, please let the admins know)
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Step 2: load the latest Pmodules package
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