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| author | Matt Wittmann <mwittmann@relaytx.com> | 2022-06-08 15:44:50 -0700 |
|---|---|---|
| committer | Matt Wittmann <mwittmann@relaytx.com> | 2022-06-08 17:19:11 -0700 |
| commit | 6ab2871989ea231dd5252e679cc5bdf1f78a17d5 (patch) | |
| tree | b556a2117c2ceca7cdf7adbfd42698b710ced57f | |
| parent | 942c1d820c93d5ca3163f1620cc34d10fe8c4e85 (diff) | |
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python3Packages.rdkit: 2020.09.5 -> 2022.03.3
| -rw-r--r-- | pkgs/development/python-modules/rdkit/default.nix | 22 |
1 files changed, 11 insertions, 11 deletions
diff --git a/pkgs/development/python-modules/rdkit/default.nix b/pkgs/development/python-modules/rdkit/default.nix index 1ec7301dabd..f98e4d992a3 100644 --- a/pkgs/development/python-modules/rdkit/default.nix +++ b/pkgs/development/python-modules/rdkit/default.nix @@ -27,21 +27,20 @@ let yaehmop = fetchFromGitHub { owner = "greglandrum"; repo = "yaehmop"; - rev = "1b13b52e2738a77715b1bad876e3b4e93f2b5269"; - sha256 = "1jp7wz8win4mgwxkaz2gnrgsaaqgln04n2lwgfr96isdv1klf62d"; + rev = "cfb5aeebbdf5ae93c4f4eeb14c7a507dea54ae9e"; + sha256 = "sha256-QMnc5RyHlY3giw9QmrkGntiA+Srs7OhCIKs9GGo5DfQ="; + }; + freesasa = fetchFromGitHub { + owner = "mittinatten"; + repo = "freesasa"; + rev = "2.1.1"; + sha256 = "sha256-fUJvLDTVhpBWl9MavZwp0kAO5Df1QuHEKqe20CXNfcg="; }; - freesasa = fetchFromGitHub - { - owner = "mittinatten"; - repo = "freesasa"; - rev = "2.0.3"; - sha256 = "0x686zm9fpyg5647fdgxnxgbwav99nc6ymh4bmkr2063yyda4kzc"; - }; }; in buildPythonPackage rec { pname = "rdkit"; - version = "2020.09.5"; + version = "2022.03.3"; src = let @@ -51,7 +50,7 @@ buildPythonPackage rec { owner = pname; repo = pname; rev = "Release_${versionTag}"; - sha256 = "1ycbjia223d0w9xiwk36x2vkdidsx198rzkfyxz48cbax9vvklzq"; + sha256 = "sha256-YZq1JKDlCQVvjv7+XpEhD/wfFcQ5m3i5VO4rNQ3ONRQ="; }; unpackPhase = '' @@ -114,6 +113,7 @@ buildPythonPackage rec { "-DEIGEN3_INCLUDE_DIR=${eigen}/include/eigen3" "-DRDK_INSTALL_INTREE=OFF" "-DRDK_INSTALL_STATIC_LIBS=OFF" + "-DRDK_INSTALL_COMIC_FONTS=OFF" "-DRDK_BUILD_INCHI_SUPPORT=ON" "-DRDK_BUILD_AVALON_SUPPORT=ON" "-DRDK_BUILD_FREESASA_SUPPORT=ON" |