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update documentation for GROMACS 2019 install #218

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jmhays opened this issue May 27, 2019 · 0 comments · Fixed by #220
Closed

update documentation for GROMACS 2019 install #218

jmhays opened this issue May 27, 2019 · 0 comments · Fixed by #220
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0.0.7.2

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@jmhays
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jmhays commented May 27, 2019

The gromacs installation documentation on https://gmxapi.readthedocs.io/en/latest/install.html needs a small fix: when you run cmake, the flag DGMXAPI needs to be set to ON. I.e.,

mkdir build
cd build
cmake ../gromacs -DGMX_THREAD_MPI=ON \
                 -DCMAKE_CXX_COMPILER=`which g++`
                 -DCMAKE_C_COMPILER=`which gcc`
                 -DCMAKE_INSTALL_PREFIX=$HOME/gromacs-gmxapi
                 -DGMXAPI=ON
make -j8 && make install
eirrgang added a commit to gmxapi/gmxapi that referenced this issue May 27, 2019
@eirrgang
Update installation instructions w.r.t. GROMACS 2019.
0529923 
Final release of GROMACS 2019 requires manually setting GMXAPI=ON.

Fixes kassonlab#218
eirrgang added a commit to gmxapi/gmxapi that referenced this issue May 27, 2019
@eirrgang
Update installation instructions w.r.t. GROMACS 2019.
9792645 
Final release of GROMACS 2019 requires manually setting GMXAPI=ON.

Fixes kassonlab#218
eirrgang added a commit to gmxapi/gmxapi that referenced this issue May 27, 2019
@eirrgang
Update installation instructions w.r.t. GROMACS 2019.
9389077 
Final release of GROMACS 2019 requires manually setting GMXAPI=ON.
Also update readthedocs configuration.

Fixes kassonlab#218
This was referenced May 27, 2019
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@eirrgang eirrgang added this to To do in 0.0.7.2 via automation Jul 2, 2019
@eirrgang eirrgang moved this from To do to Closed in 0.0.7.2 Jul 2, 2019
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Update installation instructions w.r.t. GROMACS 2019. gmxapi/gmxapi
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@jmhays