Dalton forum

On Cygwin 64 bit under Windows 10 Pro (CYGWIN_NT-10.0 2.9.0(0.318/5/3) 2017-09-12 10:18 x86_64 Cygwin, cmake version 3.6.2, Python 2.7.13, gcc 6.4.0 with my own build of 7.2.0 also available), and pulling from git yesterday,

% ./setup >&! setup.log
% cd build
% make >&! make.log

ends with

Scanning dependencies of target distances
[ 1%] Building Fortran object CMakeFiles/tools/distances.dir/DALTON/tools/distances.f90.o
[ 1%] Linking Fortran executable tools/distances.exe
[ 1%] Built target tools/distances
Scanning dependencies of target check_external_timestamp_gen1int
[ 1%] Built target check_external_timestamp_gen1int
Scanning dependencies of target gen1int
[ 1%] Creating directories for 'gen1int'
[ 1%] Performing download step for 'gen1int'

[ 1%] No patch step for 'gen1int'
[ 1%] No update step for 'gen1int'
[ 1%] Performing configure step for 'gen1int'
CMake Error: The source directory "/usr/tmp/dalton-release-2016-130ffaa0613bb3af6cac766fc8183d6df7d68917/external/gen1int" does not appear to contain CMakeLists.txt.
Specify --help for usage, or press the help button on the CMake GUI.
make[2]: *** [gen1int/CMakeFiles/gen1int.dir/build.make:106: external/gen1int-stamp/gen1int-configure] Error 1
make[1]: *** [CMakeFiles/Makefile2:1529: gen1int/CMakeFiles/gen1int.dir/all] Error 2
make: *** [Makefile:161: all] Error 2

If I do a ls /usr/tmp/dalton-release-2016-130ffaa0613bb3af6cac766fc8183d6df7d68917/external/gen1int, it shows no files in that directory at all.

Any ideas? Output from setup and make are attached. Thank you for any assistance.

This is maybe not what you want but have you considered using Windows Subsystem for Linux?

https://msdn.microsoft.com/en-us/commandline/wsl/about

I've been using Cygwin since at least 2003, and it is what I spend most of my day in (using vim, running FORTRAN code, etc.) and has been for years. I've had mostly good luck porting programs to Cygwin over the years, so I rarely need anything but Cygwin. As such I'd like to use Dalton under Cygwin if possible, but at this time know nothing about cmake and the last time I remember even slightly dealing with it was many, many years ago on HP-UX 9.01. The usual internet searching didn't help, so at the moment I'm stuck.

I think the problem is that the external submodules aren't present. You should be able to get them using the following git command: The external submodules will only be downloaded if the --recursive option is used in the initial clone:

--recursive seems to have done the trick, using

git clone --recursive https://gitlab.com/dalton/dalton.git

in my case. It is happily compiling right now, with the worst so far being a lot of warnings "passed REAL(8) to INTEGER(4)" and "(rank-1 and scalar)".

Thank you for the great reply.

I'm glad it worked

I forgot to mention that you get the development version of Dalton with the git clone command I wrote. To get the latest release you either add the --branch option to the git clone command: or if you already have an existing clone you can switch branch with the following commands (assuming you are in the cloned dalton directory and that you cloned using the --recursive option):

That worked as well. After a compile, I see all the tests crash at the same point:

Automatic occupation of symmetries with 10 electrons.

Iter Total energy Error norm Delta(E) SCF occupation
-----------------------------------------------------------------------------

hp 104% cat runtest.stderr.log
ERROR: crash during ['/usr/tmp/dalton/build/dalton', '-noarch', '-nobackup', 'dft_b3lyp_cart', 'H2O_intgrl']
/usr/tmp/dalton/build/dalton: line 722: 76100 Segmentation fault $DALTON_EXE

At least now I have something to figure out this weekend!