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python3Packages.rdkit: init at 2020.09.3 #107268
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@rmcgibbo please fix the eval error of ofborg. |
Thanks, @SuperSandro2000. Looks like I didn't structure the package correctly for ofborg given the fact that it needs sources from multiple repos. I'll try to follow this design pattern: https://discourse.nixos.org/t/how-to-create-package-with-multiple-sources/9308/3 |
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please have a commit per package added, and do you mind linting the files?
@jonringer: Sure, will do. I'm not totally sure how to reproduce the ofborg failure locally. First attempts to move the external sources into a single 'srcs' are failing with
so i'll try to fix that. |
you pass it a list, not a set |
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Fixed w/ force push. |
Result of 3 packages failed to build:
2 packages built:
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Thanks for the reviews. I think I've addressed all of the comments with the latest force-push. |
Can you please put the changes from the review commit into the corresponding init commits? |
Result of 3 packages failed to build:
2 packages built:
Fails to build on darwin because inchi failds to build:
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Build fixed on darwin, and previous review comments incorporated into the per-package commits. |
@jonringer: Thanks. Fixes applied. |
Result of 6 packages built:
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Result of 6 packages built:
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(Friendly ping on this PR) |
This is a semi-automatic executed nixpkgs-review which does not build all packages (e.g. lumo, tensorflow or pytorch) Result of 6 packages built:
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This is a semi-automatic executed nixpkgs-review which does not build all packages (e.g. lumo, tensorflow or pytorch) Result of 6 packages built:
|
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We got a recent stdenv.lib deprecation so that occurrence needs to be removed.
This is a semi-automatic executed nixpkgs-review with nixpkgs-review-checks extension. It is checked by a human on a best effort basis and does not build all packages (e.g. lumo, tensorflow or pytorch). Result of 5 packages built:
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This is a semi-automatic executed nixpkgs-review with nixpkgs-review-checks extension. It is checked by a human on a best effort basis and does not build all packages (e.g. lumo, tensorflow or pytorch). Result of 2 packages failed to build and are new build failures:
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Thanks for the report on Darwin, Sando. I think I've fix it now with some more darwin-specific fixups in libinchi. |
This is a semi-automatic executed nixpkgs-review with nixpkgs-review-checks extension. It is checked by a human on a best effort basis and does not build all packages (e.g. lumo, tensorflow or pytorch). Result of 2 packages built:
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Motivation for this change
RDKit is a very widely used package in computational chemistry.
Things done
sandbox
innix.conf
on non-NixOS linux)nix-shell -p nixpkgs-review --run "nixpkgs-review wip"
./result/bin/
)nix path-info -S
before and after)