pdebuyl-lab / rmpcdmd Goto Github PK

The .gitmodules file points to a private server:

git submodule init

Submodule 'ParseText' (git://cenoli41.ulb.ac.be/ParseText.git) registered for path 'ParseText'
Submodule 'f90h5md' (git://cenoli41.ulb.ac.be/f90h5md.git) registered for path 'f90h5md'
Submodule 'mtprng' (git://cenoli41.ulb.ac.be/mtprng.git) registered for path 'mtprng'

Could you change it to

[submodule "ParseText"]
        path = ParseText
        url = ../ParseText
[submodule "mtprng"]
        path = mtprng
        url = ../mtprng
[submodule "f90h5md"]
        path = f90h5md
        url = ../f90h5md

so that it works with github? The relative urls permit the use of any protocol (git, http, https).

Currently there are many warnings when compiling with gfortran 4.8 on Travis:

https://travis-ci.org/pdebuyl/RMPCDMD/builds/123596618

I suggest to compile with -Werror on Travis only, which turns the warnings into errors to ensure these are noticed and fixed. The tedious task of fixing the warnings is left as an exercise to the maintainer 😄.

After all warnings have been fixed, change the appropriate line in .travis.yml to

FFLAGS=-Werror cmake ..

Fortran 2008 adds an error stop statement, which prints a message to standard error and exits the program with a non-zero exit code. This is preferable to the stop statement that returns a zero exit code.

error stop "neighbour list overflow"

A non-zero exit code signals an error to the parent program, e.g., to immediately abort a shell script:

#!/bin/bash
set -e -o pipefail
./RMPCDMD equilibration.config
./RMPCDMD production.config