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Poor documentation for installation and setup #4

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rwest opened this issue Oct 23, 2009 · 1 comment
Closed

Poor documentation for installation and setup #4

rwest opened this issue Oct 23, 2009 · 1 comment
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Topic: Installation Type: Documentation

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@rwest
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rwest commented Oct 23, 2009

Especially given how important cythonising is for speeding up the thermo,
some documentation on how to do this would be great (especially for windows users)
@connie
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connie commented Oct 21, 2014

Installation documentation and platform-specific instructions have been written (http://greengroup.github.io/RMG-Py/users/rmg/installation/index.html). Though not all systems are covered I think this issue is no longer urgent.

@connie connie closed this as completed Oct 21, 2014
@connie connie mentioned this issue Mar 30, 2015
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connie referenced this issue Oct 17, 2015
@nickvandewiele
do not add H's to rdAtomIndices if removeHs=True
ab4d579 
the index of the H-atom would point to a position in the rdkitmol that
does not exist
rwest added a commit that referenced this issue Jun 6, 2023
@rwest
Fix typo in environment.yml
a9b7a3d 
This is a combination of 12 commits, as we tried everything under the sun to debug the CI.
But they all cancelled out when merged (apart from fixing a typo in a comment)

- This is the 1st commit message:
CI: trying to force ubuntu-20.04 instead of ubuntu-latest (temporary)
While we figure out what's happening, let's try an older ubuntu.
- This is commit message #2:
fixup! CI: trying to force ubuntu-20.04 instead of ubuntu-latest (temporary)
- This is the commit message #3:
Switch back to ubuntu-latest
But leave a 20.04 in the matrix build
- This is the commit message #4:
Trying libstdcxx-ng < 13 in Conda environment.
Trying to debug. If this works it should be put in docker file too.
Or, better, the real cause found and fixed.
- This is the commit message #5:
fix typo in env, undo ubuntu os changes, set gcc version in CI to 6
this system object of this version is being provided by gcc, and the
runners no longer come prepackaged with it since its old (?)
- This is the commit message #6:
it wasn't the gcc version
- This is the commit message #7:
it was the julia version, 1.9.0 is brokey
as reported at conda-forge/julia-feedstock#253
the latest release of julia (1.9.0) is brokey, don't use it (put !=1.9.0 in the environment file)
- This is the commit message #8:
make mac and ubuntu use the same cxx library
- This is the commit message #9:
but what if it was rdkit all along?
- This is the commit message #10:
Revert "but what if it was rdkit all along?" because it wasn't
- This is the commit message #11:
Revert "make mac and ubuntu use the same cxx library" cos it didn't work
- This is the commit message #12:
Revert "it was the julia version, 1.9.0 is brokey" but it wasn't
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@rwest @connie