From fbdc7a342210a6b63c15d3feee9b2568abcc4953 Mon Sep 17 00:00:00 2001 From: j0kaso Date: Sun, 13 Aug 2017 23:45:06 +0200 Subject: [PATCH] v0.3.5 --- CHANGELOG.md | 8 ++++++++ README.md | 13 +++++++++---- develop/conda-recipe/meta.yaml | 2 +- 3 files changed, 18 insertions(+), 5 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index f297c9f..cb34620 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -2,6 +2,14 @@ All notable changes to this project will be documented in this file, following the suggestions of [Keep a CHANGELOG](http://keepachangelog.com/). This project adheres to [Semantic Versioning](http://semver.org/). +## [v0.3.5] - 2017-08-13 +### Added +- WINDOWS support (tested for conda) +### Changed +- trajectory support switched from simpletraj to MDTraj with MDAnalysis as extra requirement +- NGL update to version 0.10.5-18 including bugfixes related to superpositioning, updated remove trajectory formats, IE11 workaround + + ## [v0.3.4] - 2017-07-31 ### Added - conda support via ngl channel diff --git a/README.md b/README.md index abef157..adad022 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,6 @@ [![License](http://img.shields.io/badge/license-MIT-blue.svg?style=flat)](LICENSE) -[![Version](http://img.shields.io/badge/version-0.3.4-blue.svg?style=flat)](https://github.com/arose/mdsrv/releases/tag/v0.3.4) +[![Version](http://img.shields.io/badge/version-0.3.5-blue.svg?style=flat)](https://github.com/arose/mdsrv/releases/tag/v0.3.5) [![Changelog](https://img.shields.io/badge/changelog--lightgrey.svg?style=flat)](CHANGELOG) [![Travis Build Status](https://travis-ci.org/arose/mdsrv.svg?branch=master)](https://travis-ci.org/arose/mdsrv) @@ -16,9 +16,11 @@ Features -------- * Coordinate trajectories (animation, remote access) -* Trajectory formats supported (xtc/trr, nc/netcdf, dcd) +* Trajectory formats supported (xtc/trr, nc/netcdf, dcd, lammpstrj, xyz, binpos, hdf5, dtr, arc, tng) +* Additional trajectory formats supported - only unix with py2 (mdcrd/crd, dms, +trj, ent ncdf) * [NGL Viewer](https://github.com/arose/ngl/) (Molecular structures, Density volumes, User interaction, Embeddable) -* Lightweight coordinate-only trajecotry reader (via [SimpleTraj](https://github.com/arose/simpletraj/) and [MDTraj](http://mdtraj.org/) +* Lightweight coordinate-only trajecotry reader (via [MDTraj](http://mdtraj.org/) and [MDAnalysis](http://www.mdanalysis.org/) ) @@ -46,10 +48,13 @@ From PyPI: pip install mdsrv From conda: - + conda config --add channels conda-forge conda install -c ngl mdsrv +MDsrv depends on MDtraj. Please ensure that this is installed correctly and functional. + + Running ======= diff --git a/develop/conda-recipe/meta.yaml b/develop/conda-recipe/meta.yaml index 848c19d..c95844a 100644 --- a/develop/conda-recipe/meta.yaml +++ b/develop/conda-recipe/meta.yaml @@ -1,6 +1,6 @@ package: name: mdsrv - version: {{ environ.get('GIT_DESCRIBE_TAG', 'v0.3.4')}} + version: {{ environ.get('GIT_DESCRIBE_TAG', 'v0.3.5')}} source: path: ../../