Added a command line installation section to the README. #72

sbrozell · 2021-12-07T19:42:21Z

See #71 .

The example command sequence worked on Linux login04 3.10.0-1160.36.2.el7.x86_64 schrodinger#1 SMP Thu Jul 8 02:53:40 UTC 2021 x86_64 GNU/Linux Red Hat Enterprise Linux Server release 7.9 (Maipo) cmake version 3.17.2 gcc version 9.1.0 (GCC) boost/1.72.0

ricrogz

Hi Scott, sorry for the delay in reviewing this. Thank you very much for your contribution. I have added a few suggestions below.

ricrogz · 2021-12-20T16:00:50Z

README.md

+building is via [Make](https://en.wikipedia.org/wiki/Make_(software));
+and testing can be performed by running a custom built program.  Here is an
+example command sequence:


CMake can be instructed to generate the build instructions for different build generators (see the -G option in the CMake documentation: https://cmake.org/cmake/help/latest/manual/cmake.1.html). make is just the default option (e.g., make won't be available on windows systems).

Suggested change

building is via [Make](https://en.wikipedia.org/wiki/Make_(software));

and testing can be performed by running a custom built program. Here is an

example command sequence:

and testing can be performed by running a custom built program. Here is an

example command sequence building via [Make](https://en.wikipedia.org/wiki/Make_(software)) and the `gcc` compiler:

ricrogz · 2021-12-20T16:07:34Z

README.md

+```bash
+git clone git@github.com:schrodinger/maeparser.git maeparser
+cd maeparser
+mkdir build
+cd build
+export CC=gcc
+export VERBOSE=yes
+cmake `pwd/..`
+make
+test/unittest 
+```


Suggested change

```bash

git clone git@github.com:schrodinger/maeparser.git maeparser

cd maeparser

mkdir build

cd build

export CC=gcc

export VERBOSE=yes

cmake `pwd/..`

make

test/unittest

```

```bash

# "clone" a local copy of the code from github

$ git clone git@github.com:schrodinger/maeparser.git maeparser

# set up the build configuration

$ cd maeparser

$ mkdir build

$ cd build

$ export CC=gcc

$ export VERBOSE=yes

$ cmake `pwd/..`

# Run the build

$ make

# Run the tests

$ test/unittest

ricrogz · 2021-12-20T16:15:41Z

README.md

+Defining CC ensures that the first
+[compiler](https://en.wikipedia.org/wiki/Compiler) in one's
+[PATH](https://en.wikipedia.org/wiki/PATH_(variable)) is used,
+and defining VERBOSE enables viewing the gory details of compiling and
+[linking](https://en.wikipedia.org/wiki/Linker_(computing))
+that will be necessary to reproduce when one builds one's own program
+that uses the maeparser library.


Some comments here:

There might be other compilers installed, but setting CC requires one specific compiler, not necessarily in the PATH (CC can also be specified with an absolute path to the compiler, and in such case, it doesn't have to be in the PATH variable).

The "gory details" are not required to use maeparser in one's code (the default output level is enough for that), but they are useful if there's trouble.

Suggested change

Defining CC ensures that the first

[compiler](https://en.wikipedia.org/wiki/Compiler) in one's

[PATH](https://en.wikipedia.org/wiki/PATH_(variable)) is used,

and defining VERBOSE enables viewing the gory details of compiling and

[linking](https://en.wikipedia.org/wiki/Linker_(computing))

that will be necessary to reproduce when one builds one's own program

that uses the maeparser library.

Defining CC ensures that the specified

[compiler](https://en.wikipedia.org/wiki/Compiler) is used in the build

(in the example, it will be the first instance of `gcc` in one's [PATH](https://en.wikipedia.org/wiki/PATH_(variable))),

and defining VERBOSE enables viewing the gory details of compiling and

[linking](https://en.wikipedia.org/wiki/Linker_(computing))

that will be necessary for debugging or reporting issues if the build fails.

sbrozell · 2022-01-05T21:51:59Z

Hi Ric,

Happy New Year !

I may be living in a different universe than you all.
By command line, i was focused on Linux mainly and Mac minorly. I don't expect any of this section will be of interest to Windows users although i haven't used windows for years, ie, once upon a time make existed in cygwin.

The comments among the commands are ok, but the dollar signs will thwart simple cut-n-pasting --- a
minor snag.

Good point on CC.

Note that it is "the gory details of compiling", which the VERBOSE=1 option to make emits, not a high verbosity of maeparser that i was advocating; the former were necessary for me to see to get a simple test built.

I'll tweak.

scott

sbrozell · 2022-01-05T22:09:22Z

I pushed the edits.

ricrogz

Lookss good to me. @d-b-w, would you mind having a look too?

Trying to skate the line between "what is idiomatic" and "what is useful to someone new to this tool". Hope it helps. Thanks for helping us out with this, btw.

d-b-w

Thanks for helping us with our documentation!

d-b-w · 2022-01-11T21:15:02Z

README.md

+[Unix-like](https://en.wikipedia.org/wiki/Unix-like)
+operating system follows a typical configure, build, and test procedure.
+Configuration is via [CMake](https://en.wikipedia.org/wiki/CMake),
+and testing can be performed by running a custom built program.  Here is an


Please remove the line "and testing can be performed by running a custom built program". The project uses the idiomatic make test or ctest command to run all unit tests.

d-b-w · 2022-01-11T21:17:08Z

README.md

+make
+
+# Run the custom testing
+test/unittest 


ctest or make test

test/unittest is currently valid, but we will probably add future tests. ctest and make test are pretty standard mechanisms for running unit tests in a C++ world. (see, for example: https://github.com/cpp-best-practices/cpp_starter_project#running-the-tests)

d-b-w · 2022-01-11T21:21:14Z

README.md

+cd maeparser
+mkdir build
+cd build
+export CC=gcc


I'm surprised that this was needed. I'd expect that either:

cmake figures out which compiler you want

or you're in a more advanced build environment, in which case I'd expect the container or build environment to set this.

d-b-w · 2022-01-18T17:33:27Z

Thanks for this, @sbrozell !

Scott Brozell added 2 commits December 7, 2021 14:29

Fixed cut-n-paste hyperlink errors.

1d6297c

sbrozell mentioned this pull request Dec 7, 2021

command line installation #71

Closed

sbrozell changed the title ~~Added a command line installation section.~~ Added a command line installation section to the README. Dec 7, 2021

ricrogz reviewed Dec 20, 2021

View reviewed changes

Tweaked based on Ric's comments in schrodinger#72.

eb18f01

ricrogz approved these changes Jan 11, 2022

View reviewed changes

ricrogz requested a review from d-b-w January 11, 2022 14:03

Create README.md

6e3445f

Trying to skate the line between "what is idiomatic" and "what is useful to someone new to this tool". Hope it helps. Thanks for helping us out with this, btw.

d-b-w requested changes Jan 11, 2022

View reviewed changes

d-b-w merged commit 3d8412f into schrodinger:master Jan 18, 2022

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Added a command line installation section to the README. #72

Added a command line installation section to the README. #72

sbrozell commented Dec 7, 2021

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ricrogz Dec 20, 2021

ricrogz Dec 20, 2021

ricrogz Dec 20, 2021

sbrozell commented Jan 5, 2022

sbrozell commented Jan 5, 2022

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d-b-w Jan 11, 2022

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d-b-w Jan 11, 2022

d-b-w commented Jan 18, 2022

-```bash
-git clone git@github.com:schrodinger/maeparser.git maeparser
-cd maeparser
-mkdir build
-cd build
-export CC=gcc
-export VERBOSE=yes
-cmake `pwd/..`
-make
-test/unittest
-```
+```bash
+# "clone" a local copy of the code from github
+$ git clone git@github.com:schrodinger/maeparser.git maeparser
+# set up the build configuration
+$ cd maeparser
+$ mkdir build
+$ cd build
+$ export CC=gcc
+$ export VERBOSE=yes
+$ cmake `pwd/..`
+# Run the build
+$ make
+# Run the tests
+$ test/unittest

Added a command line installation section to the README. #72

Added a command line installation section to the README. #72

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d-b-w commented Jan 18, 2022