From b28e9a8a3916e0d6b952c67a46eebd6f0f3990a2 Mon Sep 17 00:00:00 2001
From: Spencer Bliven <spencer.bliven@psi.ch>
Date: Wed, 18 Nov 2020 21:02:06 +0100
Subject: [PATCH] Add Gautomatch buildblock

No new versions were installed, but this documents the build process and
updates the modulefile.
---
 EM/Gautomatch/Gautomatch     |  6 ++++++
 EM/Gautomatch/README         | 10 ++++++++++
 EM/Gautomatch/build          | 22 ++++++++++++++++++++++
 EM/Gautomatch/files/variants |  2 ++
 EM/Gautomatch/modulefile     | 14 ++++++++++++++
 5 files changed, 54 insertions(+)
 create mode 100755 EM/Gautomatch/Gautomatch
 create mode 100644 EM/Gautomatch/README
 create mode 100755 EM/Gautomatch/build
 create mode 100644 EM/Gautomatch/files/variants
 create mode 100644 EM/Gautomatch/modulefile

diff --git a/EM/Gautomatch/Gautomatch b/EM/Gautomatch/Gautomatch
new file mode 100755
index 0000000..c6c0539
--- /dev/null
+++ b/EM/Gautomatch/Gautomatch
@@ -0,0 +1,6 @@
+#!/bin/sh
+# Wrapper for Gautomatch on merlin
+module purge
+module use EM
+module load cuda/8.0.44 Gautomatch/0.56
+exec Gautomatch_v0.56_sm61_cu8.0 "$@"
diff --git a/EM/Gautomatch/README b/EM/Gautomatch/README
new file mode 100644
index 0000000..47626d0
--- /dev/null
+++ b/EM/Gautomatch/README
@@ -0,0 +1,10 @@
+# Gautomatch
+
+## Installation
+
+1. Download binaries from https://www2.mrc-lmb.cam.ac.uk/research/locally-developed-software/zhang-software/
+2. Update files/variants
+3. Run `./build <version>` to create directories
+4. Move all executables to /opt/psi/EM/Gautomatch/$VERSION/bin
+5. Create wrapper script at /opt/psi/EM/Gautomatch/$VERSION/bin/Gautomatch based on ./Gautomatch
+6. Fix permissions: chmod 755 /opt/psi/EM/Gautomatch/$VERSION/bin/*
diff --git a/EM/Gautomatch/build b/EM/Gautomatch/build
new file mode 100755
index 0000000..e57a477
--- /dev/null
+++ b/EM/Gautomatch/build
@@ -0,0 +1,22 @@
+#!/usr/bin/env modbuild
+
+# Binary distribution with manual installation. See README.md
+
+pbuild::add_to_group 'EM'
+
+pbuild::prep() {
+    :
+}
+
+pbuild::configure() {
+    :
+}
+
+pbuild::compile() {
+    :
+}
+
+pbuild::install() {
+    :
+}
+
diff --git a/EM/Gautomatch/files/variants b/EM/Gautomatch/files/variants
new file mode 100644
index 0000000..aa28a19
--- /dev/null
+++ b/EM/Gautomatch/files/variants
@@ -0,0 +1,2 @@
+Gautomatch/0.53	stable
+Gautomatch/0.56	stable
diff --git a/EM/Gautomatch/modulefile b/EM/Gautomatch/modulefile
new file mode 100644
index 0000000..a98cb7f
--- /dev/null
+++ b/EM/Gautomatch/modulefile
@@ -0,0 +1,14 @@
+#%Module1.0
+
+module-whatis           "Fully automatic accurate, convenient and extremely fast particle picking for EM"
+module-url              "https://www2.mrc-lmb.cam.ac.uk/research/locally-developed-software/zhang-software/"
+module-license          "free"
+module-maintainer       "Spencer Bliven <spencer.bliven@psi.ch>"
+
+module-help     "
+Citation: Kai Zhang. Unpublished
+
+The `Gautomatch` script in this module includes the correct CUDA dependency. Other
+executables need CUDA loaded separately.
+"
+
-- 
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