From 5bdf6b29526b7bf8424e90eb8d3274335b9468c4 Mon Sep 17 00:00:00 2001
From: Spencer Bliven <spencer.bliven@psi.ch>
Date: Wed, 18 Nov 2020 21:03:35 +0100
Subject: [PATCH] Add Gctf buildblock

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

diff --git a/EM/Gctf/Gctf b/EM/Gctf/Gctf
new file mode 100755
index 0000000..a7ddb04
--- /dev/null
+++ b/EM/Gctf/Gctf
@@ -0,0 +1,6 @@
+#!/bin/sh
+# Wrapper for Gctf on merlin
+module purge
+module use EM
+module load cuda/8.0.44 Gctf/1.06
+exec Gctf-v1.06_sm_30_cu8.0_x86_64 "$@"
diff --git a/EM/Gctf/README b/EM/Gctf/README
new file mode 100644
index 0000000..0958548
--- /dev/null
+++ b/EM/Gctf/README
@@ -0,0 +1,10 @@
+# GCTF
+
+## Installation
+
+1. Download binaries from https://www2.mrc-lmb.cam.ac.uk/research/locally-developed-software/zhang-software/
+2. Update files/variants
+3. Run `./build <version>` to create directories
+4. Move all executables to /opt/psi/EM/Gctf/$VERSION/bin
+5. Create wrapper script at /opt/psi/EM/Gctf/$VERSION/bin/Gctf based on ./Gctf
+6. Fix permissions: chmod 755 /opt/psi/EM/Gctf/$VERSION/bin/*
diff --git a/EM/Gctf/build b/EM/Gctf/build
new file mode 100755
index 0000000..e57a477
--- /dev/null
+++ b/EM/Gctf/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/Gctf/files/variants b/EM/Gctf/files/variants
new file mode 100644
index 0000000..86eba3e
--- /dev/null
+++ b/EM/Gctf/files/variants
@@ -0,0 +1,2 @@
+Gctf/0.50	stable
+Gctf/1.06	stable
diff --git a/EM/Gctf/modulefile b/EM/Gctf/modulefile
new file mode 100644
index 0000000..385b609
--- /dev/null
+++ b/EM/Gctf/modulefile
@@ -0,0 +1,14 @@
+#%Module1.0
+
+module-whatis           "Real-time CTF determination and correction"
+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: Zhang K. (2016). Gctf: Real-time CTF determination and correction. JSB, 193: 1-12.
+
+The `Gctf` script in this module includes the correct CUDA dependency. Other
+executables need CUDA loaded separately.
+"
+
-- 
GitLab