Merge pull request #22 from GrossfieldLab/conda-only-build

Conda only build

.gitignore

@@ -141,6 +141,10 @@ Tools/coverlap
 Tools/subsetter
 Tools/xy_rdf
 Tools/model-select
+Packages/Clustering/**
+!Packages/Clustering/*.cpp
+!Packages/Clustering/*.hpp
+!packages/Clustering/SConscript
 Packages/ElasticNetworks/heavy-ca
 Packages/ElasticNetworks/psf-masses
 Packages/ElasticNetworks/vsa

.travis.yml

@@ -25,6 +25,7 @@ addons:
  - doxygen
  - graphviz
  - scons
+ - libeigen3-dev
 
 before_install:
  - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then brew update ; fi
@@ -34,5 +35,6 @@ before_install:
  - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then brew install doxygen; fi
  - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then brew install graphviz; fi
  - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then brew install scons; fi
+ - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then brew install eigen; fi
 
 script: scons

ChangeLog

@@ -1,7 +1,20 @@
+2019-12-19 Alan Grossfield <alan>
+ * Release 3.1 New build system
+ * New Clustering package
+ * Bug fix to omg.py and it's handling of internal waters
+ * Added rotation options to solvate.py
+ * Fixed bug in omg and solvate where salt missed atom names
+ * fullhelper.py tool to simplify writing fullhelp messages
+ * New tool: packing_score_per_res.py
+ * Precision option to RMSD computing tools
+ * make_library.py: new tool to make a lipid library
+ * add_molecules.py: packmol-like tool to scatter small molecules in a box
+ * updates to cluster-structures.py: more output information
+
 2019-02-27 Alan Grossfield <alan>
  * Release of LOOS 3.0. This is a major change, in that LOOS now
  requires Python 3.x.
- 
+
 2019-01-21 Alan Grossfield <alan>
  * Merged in a new reweighting framework. Added a new options class to
  support it, and implemented it in rdf and xy_rdf as examples.