| # Example config for CCI BG/Q, modify username and project name appropriately | |
| CCI_USER=CMNDcldn | |
| CCI_PROJ=CMND | |
| # Local directory where the rpm files will be downloaded | |
| RPMDIR=./rpms/$VERSION | |
| # RPM database path on remote machine | |
| RPMDBPATH=/gpfs/u/barn/$CCI_PROJ/shared/bgclang/rpm/$VERSION |
First either download or clone the repo here: https://github.com/colin-daniels/install-bgq
Then on your local machine:
config file for CCI BG/Q here:
https://gist.github.com/colin-daniels/c29908b9bc2e904f7395 (make sure you
replace login details and such appropriately)./download.sh r220548-20141024 to download the files locally.Then:
$MODULEFILE_DIR is exists (example config
Needs band.yaml and POSCAR in the current directory and takes no arguments (just run python plotsvg.py).
To change render settings, edit the python script itself (see main() and RenderSettings).
Requires the following python packages (use pip or similar to install):
| # Maintainer: Colin Daniels <[email protected]> | |
| pkgname=libdftb+-git | |
| pkgver=18.2.r602.4d795c89 | |
| _pkgname=dftbplus | |
| pkgver() { | |
| cd "$srcdir/$_pkgname" | |
| printf "%s" "$(git describe --long | sed 's/\([^-]*-\)g/r\1/;s/-/./g')" | |
| } |
| #!/bin/bash | |
| # dependencies: jq, grep, sed, tr, curl, and perl URI::Escape (or replace url_encode function) | |
| set -e | |
| orcid="0000-0002-3512-7146" | |
| # name to match when bolding in author list, should be abbreviated as in | |
| # "Given Names Last" -> "G. N. Last" | |
| match_name="C. Daniels" | |
| # whether to output as a numbered list instead of unordered (i.e. bullet points) |
| #define _SILENCE_CXX17_ITERATOR_BASE_CLASS_DEPRECATION_WARNING | |
| #include <clang/AST/AST.h> | |
| #include <clang/AST/ASTConsumer.h> | |
| #include <clang/AST/RecursiveASTVisitor.h> | |
| #include <clang/Frontend/CompilerInstance.h> | |
| #include <clang/Frontend/FrontendAction.h> | |
| #include <clang/Tooling/Tooling.h> | |
| #undef _SILENCE_CXX17_ITERATOR_BASE_CLASS_DEPRECATION_WARNING | |
| #include <fstream> |