Tie gmxapi 0.0.7 to GROMACS 2019

Refs kassonlab#188

.travis.yml

@@ -55,8 +55,7 @@ install:
   - export CCACHE_DIR=$HOME/.ccache_gmxapi
   - ccache -s
   - ./ci_scripts/install_cmake.sh
-# 0.0.8 Does not currently attempt to be compatible with GROMACS 2019.
-#  - ./ci_scripts/install_gromacs_2019.sh
+  - ./ci_scripts/install_gromacs_2019.sh
   - if [ "${TRAVIS_BRANCH}" != "master" ] ; then ./ci_scripts/install_gromacs_devel.sh ; fi
 
 before_script:
@@ -65,10 +64,9 @@ before_script:
   - eval $(./ci_scripts/prepare_python.sh)
 
 script:
-# 0.0.8 Does not currently attempt to be compatible with GROMACS 2019.
-#  - source $HOME/install/gromacs_2019/bin/GMXRC && ./ci_scripts/test_installers.sh
-#  - source $HOME/install/gromacs_2019/bin/GMXRC && ./ci_scripts/pygmx.sh
-#  - ./ci_scripts/sample_restraint.sh release-0_0_7
+  - source $HOME/install/gromacs_2019/bin/GMXRC && ./ci_scripts/test_installers.sh
+  - source $HOME/install/gromacs_2019/bin/GMXRC && ./ci_scripts/pygmx.sh
+  - ./ci_scripts/sample_restraint.sh release-0_0_7
 # The following scripting structure looks funny, but exists to control the
 # failure exit points and Travis-CI output.
   - |

CMakeLists.txt

@@ -8,7 +8,7 @@ list(APPEND CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/cmake)
 set(CMAKE_OSX_DEPLOYMENT_TARGET 10.9 CACHE STRING "OS X deployment target below 10.9 does not use C++11 standard library" FORCE)
 
 # Sets the PROJECT_VERSION variable, as well...
-project(gmxpy VERSION 0.0.8)
+project(gmxpy VERSION 0.0.7)
 
 # Only interpret if() arguments as variables or keywords when unquoted.
 cmake_policy(SET CMP0054 NEW)

ci_scripts/install_gromacs_2019.sh

@@ -15,10 +15,8 @@ else
 fi
 
 pushd $HOME
- [ -d gromacs-gmxapi ] || git clone --depth=1 --no-single-branch https://github.com/gromacs/gromacs.git gromacs
+ [ -d gromacs-gmxapi ] || git clone --depth=1 -b release-2019 --single-branch https://github.com/gromacs/gromacs.git gromacs
  pushd gromacs
-  git branch -a
-  git checkout release-2019
   pwd
   rm -rf build
   mkdir build

ci_scripts/install_gromacs_devel.sh

@@ -1,4 +1,5 @@
 #!/bin/bash
+# Install the kassonlab GROMACS fork for experimental features.
 set -ev
 
 export GMX_DOUBLE=OFF
@@ -18,12 +19,9 @@ pushd $HOME
  [ -d gromacs-gmxapi ] || \
      git clone \
          --depth=1 \
-         --no-single-branch \
          https://github.com/kassonlab/gromacs-gmxapi.git \
          gromacs-kassonlab
  pushd gromacs-kassonlab
-  git branch -a
-  git checkout devel
   pwd
   rm -rf build
   mkdir build

setup.py

@@ -22,7 +22,7 @@
 from setuptools.command.test import test as TestCommand
 
 #import gmx.version
-__version__ = '0.0.8'
+__version__ = '0.0.7'
 
 extra_link_args=[]
 

src/CMakeLists.txt

@@ -7,7 +7,7 @@
 # cmake was invoked with `-DCMAKE_PREFIX_PATH=...` pointing to the GROMACS
 # installation directory. We can also check now for a GROMACS_DIR environment
 # variable and provide it with the HINTS option.
-find_package(gmxapi 0.0.8 REQUIRED
+find_package(gmxapi 0.0.7 REQUIRED
         HINTS "$ENV{GROMACS_DIR}"
         )
 if(gmxapi_FOUND)