Merge branch 'master' into 'containers' (509e4102) · Commits · Giacomo Mulas / NP_TMcode

.gitignore

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		build/include
		build/cluster/*
		build/sphere/*
		build/testing/*
		build/trapping/*
		doc/build/*
		src/objects/*
		No newline at end of file

.gitlab-ci.yml

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		@@ -30,6 +30,7 @@ building_stage:
		paths:
		- build/cluster/*
		- build/sphere/*
		- build/testing/*
		- build/trapping/*
		- doc/build/*
		exclude:
		@@ -45,8 +46,20 @@ building_stage:
		- echo "Getting system info ..."
		- cat /etc/os-release
		- cd src
		- echo "Running make ..."
		- make -j
		- echo "Running make with gnu compilers version 11..."
		- make wipe && CXX=g++-11 FC=gfortran-11 make -j
		- echo "Running make with gnu compilers version 12..."
		- make wipe && CXX=g++-12 FC=gfortran-12 make -j
		- echo "Running make with gnu fortran version 12 and clang version 13..."
		- make wipe && CXX="clang++-13 -stdlib=libc++" FC=gfortran-12 make -j
		- echo "Running make with gnu fortran version 12 and clang version 14..."
		- make wipe && CXX="clang++-14 -stdlib=libc++" FC=gfortran-12 make -j
		- echo "Running make with gnu fortran version 12 and clang version 15..."
		- make wipe && CXX="clang++-15 -stdlib=libc++" FC=gfortran-12 make -j
		- echo "Running make with gnu fortran version 12 and clang version 16..."
		- make wipe && CXX="clang++-16 -stdlib=libc++" FC=gfortran-12 make -j
		- echo "Finally running make with default compilers..."
		- make wipe && make -j
		- make docs -j && make -C ../doc/build/latex -j

		running_stage:

.gitlab/merge_request_templates/.gitkeep

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Empty file added.

.gitlab/merge_request_templates/default_mr.md

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		<!-- title of the merge request -->

		# MR Title

		<!-- General merge request description.

		Write a small paragraph describing the scope of the merge request. Cite relevant issues, if any. Keep in mind that the text might be used to write a release report, so adopt a descriptive approach.

		-->

		Text to describe the MR.

		## Change log

		<!-- List of relevant changes.

		Provide a list of the main changes introduced by this MR, possibly in the format of a bullet or numbered item list.

		-->

		1. Change nr. 1
		2. Change nr. 2 ...
		No newline at end of file

build/README.md

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		@@ -62,10 +62,10 @@ The default behaviour of `np_sphere` is to take the same input files as `edfb_sp

		### trapping

		The execution of trapping programs requires at least one of the previous programs to have produced a complete output set. A light-weight trapping calculation has been configured with input and legacy output files stored in the `../../test_data/trapping/` folder. Since the FORTRAN code assumes the input and output to be defined within the program, it is not yet possible to run the FORTRAN version on this case, unless the source code is modified accordingly. Conversely, the C++ version can be executed without the need to modfy and re-compile the code. The work-flow to test trapping is described below.
		The execution of trapping programs requires at least one of the previous programs to have produced a complete output set. A light-weight trapping calculation has been configured with input and legacy output files stored in the `../../test_data/trapping/` folder. Since the FORTRAN code assumes the input and output to be defined within the program, it is not yet possible to run the FORTRAN version on this case, unless the source code is modified accordingly. Conversely, the C++ version can be executed without the need to modify and re-compile the code. The work-flow to test trapping is described below.

		1. cd to the `build/sphere` folder.
		2. run `np_sphere` with arguments to take input from the trapping tast and write output in the trapping folder:
		2. run `np_sphere` with arguments to take input from the trapping test and write output in the trapping build folder:

		> ./np_sphere ../../test_data/trapping/DEDFB ../../test_data/trapping/DSPH ../trapping

		@@ -74,4 +74,4 @@ The execution of trapping programs requires at least one of the previous program

		> ./np_trapping ../../test_data/trapping/DFRFME ../../test_data/trapping/DLFFT .

		5. Check the consistency between `np_trapping` output files (`c_out66.txt` and `c_out67.txt`) and the legacy FORTRAN output for this case (the files named, respectively, `fort.66` and `fort.67` in the `test_data/trapping/` folder).
		5. Check the consistency between `np_trapping` output files (`c_out66.txt` and `c_out67.txt`) and the legacy FORTRAN output for this case (the files named, respectively, `fort.66` and `fort.67` in the `test_data/trapping/` folder). Consider that some of the output values will be affected by numeric noise and take substantially different values. However, this is expected for results whose order of magnitude is clearly below the precision level of the calculation, as they represent results appraching zero that were just approximated with different precision.