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avogadro2: 1.103.0 -> 2.0.0 (#508318)

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This commit is contained in:
Markus Kowalewski
2026-04-10 13:41:49 +00:00
committed by GitHub
parent 4d9a68e34f b52cdd730f
commit 971b7e47f7
2 changed files with 43 additions and 42 deletions
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pkgs/applications/science/chemistry/avogadro2/default.nix
+14 -14
View File
@@ -12,29 +12,29 @@
mesa,
}:
let
avogadroI18N = fetchFromGitHub {
owner = "OpenChemistry";
repo = "avogadro-i18n";
tag = "1.103.0";
hash = "sha256-gdr0Ed0UWjQB0LQq+6RvlAb8ZNFQAjV9mrgFLePG+CM=";
};
in
stdenv.mkDerivation (finalAttrs: {
pname = "avogadro2";
version = "1.103.0";
version = "2.0.0";
src = fetchFromGitHub {
owner = "OpenChemistry";
repo = "avogadroapp";
rev = finalAttrs.version;
hash = "sha256-nmvK3R966Xv2Xs5wXDh/8itIZLIRqbXHFe8dffFiI+s=";
hash = "sha256-+/NZwLRrbrfrQqxLqgiqZk6324BGoN+qRfOq7G+UIBE=";
};
postUnpack = ''
cp -r ${avogadroI18N} avogadro-i18n
'';
postUnpack =
let
avogadroI18N = fetchFromGitHub {
owner = "OpenChemistry";
repo = "avogadro-i18n";
tag = finalAttrs.version;
hash = "sha256-5eiOFJ5tbS+HFbnLbc6sjk62BvXDMQYpPsB4xFpVWXM=";
};
in
''
cp -r ${avogadroI18N} avogadro-i18n
'';
nativeBuildInputs = [
cmake
pkgs/development/libraries/science/chemistry/avogadrolibs/default.nix
+29 -28
View File
@@ -23,44 +23,45 @@ let
numpy
]
);
# Pure data repositories
moleculesRepo = fetchFromGitHub {
owner = "OpenChemistry";
repo = "molecules";
tag = "1.103.0";
hash = "sha256-hMLf0gYYnQpjSGKcPy4tihNbmpRR7UxnXF/hyhforgI=";
};
crystalsRepo = fetchFromGitHub {
owner = "OpenChemistry";
repo = "crystals";
tag = "1.103.0";
hash = "sha256-WhzFldaOt/wJy1kk+ypOkw1OYFT3hqD7j5qGdq9g+IY=";
};
fragmentsRepo = fetchFromGitHub {
owner = "OpenChemistry";
repo = "fragments";
tag = "1.103.0";
hash = "sha256-jH8k+qPlyU3Tset63uxrDlMFLdcWh8JhJoe5sl1pJ2E=";
};
in
stdenv.mkDerivation (finalAttrs: {
pname = "avogadrolibs";
version = "1.103.0";
version = "2.0.0";
src = fetchFromGitHub {
owner = "OpenChemistry";
repo = "avogadrolibs";
tag = finalAttrs.version;
hash = "sha256-2SuSNaZnY3LXcUuGboc8ZRCCeoClENoYtWmNNahdor4=";
hash = "sha256-Un1TSXFucCFmHq8DoWQS7RaNgtXiD2JcXGueavugU64=";
};
postUnpack = ''
cp -r ${moleculesRepo} molecules
cp -r ${crystalsRepo} crystals
cp -r ${fragmentsRepo} fragments
'';
postUnpack =
let
# Pure data repositories
moleculesRepo = fetchFromGitHub {
owner = "OpenChemistry";
repo = "molecules";
tag = finalAttrs.version;
hash = "sha256-hMLf0gYYnQpjSGKcPy4tihNbmpRR7UxnXF/hyhforgI=";
};
crystalsRepo = fetchFromGitHub {
owner = "OpenChemistry";
repo = "crystals";
tag = finalAttrs.version;
hash = "sha256-WhzFldaOt/wJy1kk+ypOkw1OYFT3hqD7j5qGdq9g+IY=";
};
fragmentsRepo = fetchFromGitHub {
owner = "OpenChemistry";
repo = "fragments";
tag = finalAttrs.version;
hash = "sha256-OLLcQX3a9j9rEJtBziEU4fCZB2DiDDzql2mr2KfSp70=";
};
in
''
cp -r ${moleculesRepo} molecules
cp -r ${crystalsRepo} crystals
cp -r ${fragmentsRepo} fragments
'';
nativeBuildInputs = [
cmake