adding gdma

[loriab]

GDMA is an analysis tool in quantum chemistry. As offered upstream, it's a Fortran executable that builds with Makefiles and runs on Linux and maybe Mac. Here, patches are added to build a library and python exports as well as the executable and to extend it to Windows. The library extension has been working stably for many years and has been packaged previously at https://anaconda.org/psi4/gdma/files .

Sorry about the mega-patch. I did try to have several smaller and more descriptive ones, but I hit conda/conda-build#4241 where patch levels were guessed non-uniformly.

Checklist

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[conda-forge-webservices]

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipes/gdma) and found it was in an excellent condition.

[davpoolechem]

Hi! I would be happy to be a co-maintainer for this package.

[loriab]

@conda-forge/help-c-cpp, ready for review!

[carterbox]

You only need to set jinja variables for strings used in multiple places or that are modified in some way.

Suggested change

	{% set name = "gdma" %}
	{% set version = "2.3.3" %}
	{% set commit = "c2e0b548" %}
	{% set sha256 = "87c090b7415cd2126608019cad7a3e008c25171c7c8189adad399b6a86f8d383" %}
	package:
	name: {{ name|lower }}-split
	version: {{ version }}
	source:
	#url: https://github.com/psi4/gdma/archive/v2.3.3.tar.gz # equivalent to upstream plus patches
	url: https://gitlab.com/anthonyjs/{{ name }}/-/archive/{{ commit }}.tar.bz2
	patches:
	- 0001-add-CMake-library-pymod-IO-git-avoidance.patch
	#patches: # also equivalent to upstream plus single big patch, but c-b predicts patch levels wrong
	# - 0001-fix-use-input-bug-build-outside-git-generalize-pytho.patch
	# - 0002-add-IO-management-form-library-as-well-as-executable.patch
	# - 0003-add-CMake-buildsystem-for-L-M-W-platforms.patch
	# - 0004-add-exports-to-Python-module.patch
	# - 0005-avoid-git-for-c-f.patch
	sha256: {{ sha256 }}
	{% set version = "2.3.3" %}
	{% set commit = "c2e0b548" %}
	package:
	name: gdma-split
	version: {{ version }}
	source:
	#url: https://github.com/psi4/gdma/archive/v2.3.3.tar.gz # equivalent to upstream plus patches
	url: https://gitlab.com/anthonyjs/gdma/-/archive/{{ commit }}.tar.bz2
	patches:
	- 0001-add-CMake-library-pymod-IO-git-avoidance.patch
	#patches: # also equivalent to upstream plus single big patch, but c-b predicts patch levels wrong
	# - 0001-fix-use-input-bug-build-outside-git-generalize-pytho.patch
	# - 0002-add-IO-management-form-library-as-well-as-executable.patch
	# - 0003-add-CMake-buildsystem-for-L-M-W-platforms.patch
	# - 0004-add-exports-to-Python-module.patch
	# - 0005-avoid-git-for-c-f.patch
	sha256: 87c090b7415cd2126608019cad7a3e008c25171c7c8189adad399b6a86f8d383

[loriab]

Good point on the name. The sha256 I sometimes keep near the version and commit so that I remember to change them together. I'll tidy them up at the feedstock. Thanks for the merge.