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-rw-r--r--metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.210
-rw-r--r--metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.110
-rw-r--r--metadata/md5-cache/sci-chemistry/ParmEd-3.4.310
-rw-r--r--metadata/md5-cache/sci-chemistry/chemex-2022.3.412
-rw-r--r--metadata/md5-cache/sci-chemistry/chemex-2022.3.512
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2020.710
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2021.610
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2021.710
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2022.410
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2022.510
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2022.999910
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-202310
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2023.110
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-2023.999910
-rw-r--r--metadata/md5-cache/sci-chemistry/gromacs-999910
-rw-r--r--metadata/md5-cache/sci-chemistry/mdtraj-1.9.712
-rw-r--r--metadata/md5-cache/sci-chemistry/modeller-9.2510
-rw-r--r--metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r110
-rw-r--r--metadata/md5-cache/sci-chemistry/nmrglue-0.717
-rw-r--r--metadata/md5-cache/sci-chemistry/nmrglue-0.912
-rw-r--r--metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p2021022510
-rw-r--r--metadata/md5-cache/sci-chemistry/openbabel-999910
-rw-r--r--metadata/md5-cache/sci-chemistry/propka-3.4.010
-rw-r--r--metadata/md5-cache/sci-chemistry/pymol-2.5.0-r212
-rw-r--r--metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha5710
-rw-r--r--metadata/md5-cache/sci-chemistry/votca-202210
-rw-r--r--metadata/md5-cache/sci-chemistry/votca-2022.110
-rw-r--r--metadata/md5-cache/sci-chemistry/votca-999910
28 files changed, 140 insertions, 157 deletions
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2
index b26b3f41e0b7..fb066ca56189 100644
--- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2
+++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2
@@ -1,16 +1,16 @@
-BDEPEND=dev-python/six[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_9(-)?,python_targets_python3_10(-)?] test? ( >=dev-python/pandas-0.17[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) test? ( dev-python/six[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/gpep517-13[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/setuptools-67.2.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
+BDEPEND=dev-python/six[python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_10(-)?] test? ( >=dev-python/pandas-0.17[python_targets_python3_10(-)?] ) test? ( dev-python/six[python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_10(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_10(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?] >=dev-python/setuptools-67.2.0[python_targets_python3_10(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_10(-)?]
DEFINED_PHASES=compile configure install prepare test unpack
DESCRIPTION=Python framework for Gromacs
EAPI=7
HOMEPAGE=https://gromacswrapper.readthedocs.io
INHERIT=distutils-r1 vcs-snapshot
-IUSE=test python_targets_python3_9 python_targets_python3_10
+IUSE=test python_targets_python3_10
KEYWORDS=~amd64 ~x86
LICENSE=GPL-3 LGPL-3
-RDEPEND=dev-python/six[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
-REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
+RDEPEND=dev-python/six[python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_10(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
+REQUIRED_USE=|| ( python_targets_python3_10 )
RESTRICT=!test? ( test )
SLOT=0
SRC_URI=https://github.com/Becksteinlab/GromacsWrapper/archive/release-0.8.2.tar.gz -> GromacsWrapper-0.8.2.tar.gz
-_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 eapi8-dosym 741bfa77afb2a9321261501aca58c208 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 vcs-snapshot eab6d8533446763c2e9777d8bbd1594e
+_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 eapi8-dosym 741bfa77afb2a9321261501aca58c208 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 vcs-snapshot eab6d8533446763c2e9777d8bbd1594e
_md5_=2589473b2ab9c38a4ce7a86c716aea06
diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.1 b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.1
index e023c89b69e0..4bf266ef9fb7 100644
--- a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.1
+++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.1
@@ -1,16 +1,16 @@
-BDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] test? ( >=dev-python/numpy-1.16.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/gpep517-13[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/setuptools-67.2.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
+BDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?] test? ( >=dev-python/numpy-1.16.0[python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_10(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?] >=dev-python/setuptools-67.2.0[python_targets_python3_10(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_10(-)?]
DEFINED_PHASES=compile configure install prepare test
DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories
EAPI=8
HOMEPAGE=https://www.mdanalysis.org
INHERIT=distutils-r1 pypi
-IUSE=test python_targets_python3_9 python_targets_python3_10
+IUSE=test python_targets_python3_10
KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
LICENSE=GPL-2
-RDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
-REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
+RDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
+REQUIRED_USE=|| ( python_targets_python3_10 )
RESTRICT=test !test? ( test )
SLOT=0
SRC_URI=https://files.pythonhosted.org/packages/source/M/MDAnalysis/MDAnalysis-2.4.1.tar.gz
-_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 pypi 3b6a844fbf71f1581992b44c78b549b7
+_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 pypi 3b6a844fbf71f1581992b44c78b549b7
_md5_=aa5542b2a9e8c1bfb2e22f630970f9cd
diff --git a/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 b/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3
index ccf212807578..9c987f84c929 100644
--- a/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3
+++ b/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3
@@ -1,16 +1,16 @@
-BDEPEND=test? ( >=dev-python/pytest-7.2.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/setuptools-65.7.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
+BDEPEND=test? ( >=dev-python/pytest-7.2.1[python_targets_python3_10(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/setuptools-65.7.0[python_targets_python3_10(-)?]
DEFINED_PHASES=compile configure install prepare test
DESCRIPTION=Parameter and topology file editor and molecular mechanical simulator engine
EAPI=8
HOMEPAGE=https://parmed.github.io/ParmEd/html/index.html
INHERIT=distutils-r1
-IUSE=test python_targets_python3_9 python_targets_python3_10
+IUSE=test python_targets_python3_10
KEYWORDS=~amd64
LICENSE=LGPL-2
-RDEPEND=python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
-REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
+RDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
+REQUIRED_USE=|| ( python_targets_python3_10 )
RESTRICT=!test? ( test )
SLOT=0
SRC_URI=https://github.com/ParmEd/ParmEd/archive/refs/tags/3.4.3.tar.gz -> ParmEd-3.4.3.tar.gz
-_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
+_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
_md5_=af636d78c2b62bfc590562bdbab4aab5
diff --git a/metadata/md5-cache/sci-chemistry/chemex-2022.3.4 b/metadata/md5-cache/sci-chemistry/chemex-2022.3.4
index ffa48109b3ba..93dfebabec7e 100644
--- a/metadata/md5-cache/sci-chemistry/chemex-2022.3.4
+++ b/metadata/md5-cache/sci-chemistry/chemex-2022.3.4
@@ -1,17 +1,17 @@
-BDEPEND=test? ( python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_9(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_9(-)] >=dev-python/numpy-1.24.2[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_9(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_9(-)] >=dev-python/rich-13.3.4[python_targets_python3_9(-)] >=dev-python/scipy-1.10.1[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_9? ( >=dev-python/pytest-7.2.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.2.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.2.1[python_targets_python3_11(-)] ) ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) python_single_target_python3_9? ( >=dev-python/gpep517-13[python_targets_python3_9(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_11(-)] )
+BDEPEND=test? ( python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.2.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.2.1[python_targets_python3_11(-)] ) ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_11(-)] )
DEFINED_PHASES=compile configure install prepare setup test
-DEPEND=python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_9(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_9(-)] >=dev-python/numpy-1.24.2[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_9(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_9(-)] >=dev-python/rich-13.3.4[python_targets_python3_9(-)] >=dev-python/scipy-1.10.1[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] )
+DEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] )
DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data
EAPI=8
HOMEPAGE=https://github.com/gbouvignies/chemex
INHERIT=distutils-r1
-IUSE=test test python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
+IUSE=test test python_single_target_python3_10 python_single_target_python3_11
KEYWORDS=~amd64
LICENSE=BSD
-RDEPEND=python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_9(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_9(-)] >=dev-python/numpy-1.24.2[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_9(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_9(-)] >=dev-python/rich-13.3.4[python_targets_python3_9(-)] >=dev-python/scipy-1.10.1[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
-REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
+RDEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
+REQUIRED_USE=^^ ( python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=test !test? ( test )
SLOT=0
SRC_URI=https://github.com/gbouvignies/ChemEx/archive/refs/tags/v2022.3.4.tar.gz -> chemex-2022.3.4.tar.gz
-_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
+_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
_md5_=dd228c801562e08a6fc5db8d56c90be2
diff --git a/metadata/md5-cache/sci-chemistry/chemex-2022.3.5 b/metadata/md5-cache/sci-chemistry/chemex-2022.3.5
index 00dbb1330bd1..d3c2aba9c0f3 100644
--- a/metadata/md5-cache/sci-chemistry/chemex-2022.3.5
+++ b/metadata/md5-cache/sci-chemistry/chemex-2022.3.5
@@ -1,17 +1,17 @@
-BDEPEND=test? ( python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_9(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_9(-)] >=dev-python/numpy-1.24.3[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_9(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_9(-)] >=dev-python/rich-13.3.4[python_targets_python3_9(-)] >=dev-python/scipy-1.10.1[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_9? ( >=dev-python/pytest-7.2.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.2.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.2.1[python_targets_python3_11(-)] ) ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) python_single_target_python3_9? ( >=dev-python/gpep517-13[python_targets_python3_9(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_11(-)] )
+BDEPEND=test? ( python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.2.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.2.1[python_targets_python3_11(-)] ) ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_11(-)] )
DEFINED_PHASES=compile configure install prepare setup test
-DEPEND=python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_9(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_9(-)] >=dev-python/numpy-1.24.3[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_9(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_9(-)] >=dev-python/rich-13.3.4[python_targets_python3_9(-)] >=dev-python/scipy-1.10.1[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] )
+DEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] )
DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data
EAPI=8
HOMEPAGE=https://github.com/gbouvignies/chemex
INHERIT=distutils-r1
-IUSE=test test python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
+IUSE=test test python_single_target_python3_10 python_single_target_python3_11
KEYWORDS=~amd64
LICENSE=BSD
-RDEPEND=python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_9(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_9(-)] >=dev-python/numpy-1.24.3[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_9(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_9(-)] >=dev-python/rich-13.3.4[python_targets_python3_9(-)] >=dev-python/scipy-1.10.1[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
-REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
+RDEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
+REQUIRED_USE=^^ ( python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=test !test? ( test )
SLOT=0
SRC_URI=https://github.com/gbouvignies/ChemEx/archive/refs/tags/v2022.3.5.tar.gz -> chemex-2022.3.5.tar.gz
-_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
+_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
_md5_=dbb860f5a52f998720d27b1ad83813ad
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.7 b/metadata/md5-cache/sci-chemistry/gromacs-2020.7
index 94ec47afb77e..73259db9a11d 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020.7
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.7
@@ -1,16 +1,16 @@
-BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
+BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=https://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils
-IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
+IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 python_single_target_python3_10 python_single_target_python3_11
KEYWORDS=amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos
LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
+RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/2020.7
SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2020.7.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.7.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2020.7.tar.gz )
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
_md5_=0296685921498ed1a7c1f4ced5302923
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.6 b/metadata/md5-cache/sci-chemistry/gromacs-2021.6
index de715e64a89d..7fbc499fe043 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.6
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.6
@@ -1,16 +1,16 @@
-BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
+BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=https://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils
-IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
+IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11
KEYWORDS=amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos
LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
+RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/2021.6
SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2021.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.6.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2021.6.tar.gz )
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
_md5_=ce5183cca4639dae7a256980f02c858c
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.7 b/metadata/md5-cache/sci-chemistry/gromacs-2021.7
index aa4af4de25fc..9d078eb503fe 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.7
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.7
@@ -1,16 +1,16 @@
-BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
+BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=https://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils
-IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
+IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11
KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos
LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
+RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/2021.7
SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2021.7.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.7.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2021.7.tar.gz )
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
_md5_=203c8a818d29e3b33e468c6d1d631767
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.4 b/metadata/md5-cache/sci-chemistry/gromacs-2022.4
index 4d8894fb7454..8cf9c0ba196c 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2022.4
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.4
@@ -1,16 +1,16 @@
-BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=https://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils
-IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
+IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11
KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) <sci-chemistry/dssp-4
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) <sci-chemistry/dssp-4
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/2022.4
SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2022.4.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.4.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2022.4.tar.gz )
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
_md5_=cdd826a94c74837171c33e5212e21e04
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.5 b/metadata/md5-cache/sci-chemistry/gromacs-2022.5
index 2f3528e45ec8..96d3f5a202b0 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2022.5
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.5
@@ -1,16 +1,16 @@
-BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=https://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils
-IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
+IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11
KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) <sci-chemistry/dssp-4
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) <sci-chemistry/dssp-4
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/2022.5
SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2022.5.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.5.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2022.5.tar.gz )
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
_md5_=cdd826a94c74837171c33e5212e21e04
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999
index 9d309bb6e96d..a1ac5939b293 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999
@@ -1,15 +1,15 @@
-BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=https://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils git-r3
-IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
+IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11
LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
PROPERTIES=live
-RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) <sci-chemistry/dssp-4
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) <sci-chemistry/dssp-4
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/2022.9999
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 git-r3 27e13c09a4c7e4c78ac812f74727e676
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 git-r3 27e13c09a4c7e4c78ac812f74727e676
_md5_=cdd826a94c74837171c33e5212e21e04
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023 b/metadata/md5-cache/sci-chemistry/gromacs-2023
index 0e1c102c94e8..2c762cd361af 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2023
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2023
@@ -1,16 +1,16 @@
-BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=https://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils
-IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
+IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11
KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/2023
SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2023.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2023.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2023.tar.gz )
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
_md5_=97afc417b705ac736ddde182ea746ea2
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023.1 b/metadata/md5-cache/sci-chemistry/gromacs-2023.1
index 09f39caa7ef9..3840778857be 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2023.1
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2023.1
@@ -1,16 +1,16 @@
-BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=https://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils
-IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
+IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11
KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/2023.1
SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2023.1.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2023.1.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2023.1.tar.gz )
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3
_md5_=97afc417b705ac736ddde182ea746ea2
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2023.9999
index bef176196dcc..0573f57e80cb 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2023.9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2023.9999
@@ -1,15 +1,15 @@
-BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=https://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils git-r3
-IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
+IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11
LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
PROPERTIES=live
-RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/2023.9999
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 git-r3 27e13c09a4c7e4c78ac812f74727e676
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 git-r3 27e13c09a4c7e4c78ac812f74727e676
_md5_=97afc417b705ac736ddde182ea746ea2
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999
index acdad1b64a5b..1ce0d283d155 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-9999
@@ -1,15 +1,15 @@
-BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=https://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils git-r3
-IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
+IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11
LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
PROPERTIES=live
-RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/9999
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 git-r3 27e13c09a4c7e4c78ac812f74727e676
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c cuda 13d76baf0dc95e560610c6b7dfa79db4 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 git-r3 27e13c09a4c7e4c78ac812f74727e676
_md5_=97afc417b705ac736ddde182ea746ea2
diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7
index 6d829e947bb4..e72498520b5a 100644
--- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7
+++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7
@@ -1,17 +1,17 @@
-BDEPEND=test? ( dev-python/astunparse[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/setuptools-65.7.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
+BDEPEND=test? ( dev-python/astunparse[python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_10(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_10(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/setuptools-65.7.0[python_targets_python3_10(-)?]
DEFINED_PHASES=compile configure install prepare test
-DEPEND=dev-python/astunparse[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] test? ( dev-python/ipykernel[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/jupyter-client[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/nbformat[python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/scikit-learn[python_targets_python3_9(-)?,python_targets_python3_10(-)?] )
+DEPEND=dev-python/astunparse[python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_10(-)?] test? ( dev-python/ipykernel[python_targets_python3_10(-)?] dev-python/jupyter-client[python_targets_python3_10(-)?] dev-python/nbformat[python_targets_python3_10(-)?] sci-libs/scikit-learn[python_targets_python3_10(-)?] )
DESCRIPTION=Read, write and analyze MD trajectories with only a few lines of Python code
EAPI=8
HOMEPAGE=https://mdtraj.org
INHERIT=distutils-r1 pypi
-IUSE=test python_targets_python3_9 python_targets_python3_10
+IUSE=test python_targets_python3_10
KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
LICENSE=LGPL-2.1+
-RDEPEND=dev-python/astunparse[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
-REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
+RDEPEND=dev-python/astunparse[python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_10(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
+REQUIRED_USE=|| ( python_targets_python3_10 )
RESTRICT=!test? ( test )
SLOT=0
SRC_URI=https://files.pythonhosted.org/packages/source/m/mdtraj/mdtraj-1.9.7.tar.gz
-_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 pypi 3b6a844fbf71f1581992b44c78b549b7
+_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65 pypi 3b6a844fbf71f1581992b44c78b549b7
_md5_=a22b8d2dd0086247e9c27d4e0cb7c713
diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.25 b/metadata/md5-cache/sci-chemistry/modeller-9.25
index 7dd2cd3219c1..ec17e5822e41 100644
--- a/metadata/md5-cache/sci-chemistry/modeller-9.25
+++ b/metadata/md5-cache/sci-chemistry/modeller-9.25
@@ -1,17 +1,17 @@
-BDEPEND=python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
+BDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
DEFINED_PHASES=compile config configure install postinst postrm prepare setup test
DEPEND=>=dev-lang/swig-1.3
DESCRIPTION=Homology or comparative modeling of protein three-dimensional structures
EAPI=7
HOMEPAGE=https://salilab.org/modeller/
INHERIT=distutils-r1
-IUSE=doc examples python_targets_python3_9 python_targets_python3_10
+IUSE=doc examples python_targets_python3_10
KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
LICENSE=modeller
-RDEPEND=python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
-REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
+RDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
+REQUIRED_USE=|| ( python_targets_python3_10 )
RESTRICT=mirror
SLOT=0
SRC_URI=https://salilab.org/modeller/9.25/modeller-9.25.tar.gz
-_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 eapi8-dosym 741bfa77afb2a9321261501aca58c208 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
+_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 eapi8-dosym 741bfa77afb2a9321261501aca58c208 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
_md5_=1c68117b2425090a258fc04144469ec6
diff --git a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1
index 4baee423d787..3c45df763367 100644
--- a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1
+++ b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1
@@ -1,17 +1,17 @@
BDEPEND=doc? ( app-doc/doxygen ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 test? ( x11-base/xorg-server[xvfb] x11-apps/xhost )
DEFINED_PHASES=compile configure install prepare test
-DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) net-libs/cppzmq:0= )
+DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) net-libs/cppzmq:0= )
DESCRIPTION=Abstract, manage and coordinate execution of tasks
EAPI=7
HOMEPAGE=https://www.openchemistry.org/projects/molequeue/
INHERIT=cmake python-r1 virtualx
-IUSE=+client doc server test +zeromq python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 test
+IUSE=+client doc server test +zeromq python_targets_python3_10 python_targets_python3_11 test
KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
LICENSE=BSD
-RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) net-libs/cppzmq:0= )
-REQUIRED_USE=server? ( client ) test? ( server ) zeromq? ( || ( python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 ) )
+RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) net-libs/cppzmq:0= )
+REQUIRED_USE=server? ( client ) test? ( server ) zeromq? ( || ( python_targets_python3_10 python_targets_python3_11 ) )
RESTRICT=test
SLOT=0
SRC_URI=https://github.com/OpenChemistry/molequeue/archive/0.9.0.tar.gz -> molequeue-0.9.0.tar.gz
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 edos2unix 33e347e171066657f91f8b0c72ec8773 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 wrapper 4a1902f969e5718126434fc35f3a0d9c eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 eapi8-dosym 741bfa77afb2a9321261501aca58c208 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-r1 3c6cd0f418ba702c186a9865b85e704d virtualx 817571665ee28575da44ee08135089e5
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 edos2unix 33e347e171066657f91f8b0c72ec8773 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 wrapper 4a1902f969e5718126434fc35f3a0d9c eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 eapi8-dosym 741bfa77afb2a9321261501aca58c208 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-r1 3c6cd0f418ba702c186a9865b85e704d virtualx 817571665ee28575da44ee08135089e5
_md5_=2acaaa36499f3c8d72f2f8be2a487a89
diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.7 b/metadata/md5-cache/sci-chemistry/nmrglue-0.7
deleted file mode 100644
index a07ff2b1d499..000000000000
--- a/metadata/md5-cache/sci-chemistry/nmrglue-0.7
+++ /dev/null
@@ -1,17 +0,0 @@
-BDEPEND=test? ( dev-python/matplotlib[python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_9(-)?] >=dev-python/nose-1.3.7_p20221026[python_targets_python3_9(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) >=dev-python/setuptools-65.7.0[python_targets_python3_9(-)?]
-DEFINED_PHASES=compile configure install prepare test
-DEPEND=dev-python/matplotlib[python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_9(-)?]
-DESCRIPTION=A module for working with NMR data in Python
-EAPI=7
-HOMEPAGE=https://nmrglue.com/
-INHERIT=distutils-r1
-IUSE=test python_targets_python3_9
-KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
-LICENSE=BSD
-RDEPEND=dev-python/matplotlib[python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_9(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 )
-REQUIRED_USE=|| ( python_targets_python3_9 )
-RESTRICT=!test? ( test )
-SLOT=0
-SRC_URI=https://github.com/jjhelmus/nmrglue/releases/download/v0.7/nmrglue-0.7.tar.gz
-_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 eapi8-dosym 741bfa77afb2a9321261501aca58c208 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
-_md5_=7e104c782f766f15ac0512239c115a05
diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.9 b/metadata/md5-cache/sci-chemistry/nmrglue-0.9
index ff84cdce0ee5..c8d95dbf0469 100644
--- a/metadata/md5-cache/sci-chemistry/nmrglue-0.9
+++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.9
@@ -1,17 +1,17 @@
-BDEPEND=test? ( app-shells/tcsh ) test? ( dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/nose-1.3.7_p20221026[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) doc? ( || ( ( >=dev-lang/python-3.11.1-r1:3.11 >=dev-python/sphinx-5.3.0[python_targets_python3_11(-)] dev-python/sphinx-rtd-theme[python_targets_python3_11(-)] dev-python/numpydoc[python_targets_python3_11(-)] ) ( >=dev-lang/python-3.10.9-r1:3.10 >=dev-python/sphinx-5.3.0[python_targets_python3_10(-)] dev-python/sphinx-rtd-theme[python_targets_python3_10(-)] dev-python/numpydoc[python_targets_python3_10(-)] ) ( >=dev-lang/python-3.9.16-r1:3.9 >=dev-python/sphinx-5.3.0[python_targets_python3_9(-)] dev-python/sphinx-rtd-theme[python_targets_python3_9(-)] dev-python/numpydoc[python_targets_python3_9(-)] ) ) ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) >=dev-python/gpep517-13[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.2.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?]
+BDEPEND=test? ( app-shells/tcsh ) test? ( dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/nose-1.3.7_p20221026[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) doc? ( || ( ( >=dev-lang/python-3.11.1-r1:3.11 >=dev-python/sphinx-5.3.0[python_targets_python3_11(-)] dev-python/sphinx-rtd-theme[python_targets_python3_11(-)] dev-python/numpydoc[python_targets_python3_11(-)] ) ( >=dev-lang/python-3.10.9-r1:3.10 >=dev-python/sphinx-5.3.0[python_targets_python3_10(-)] dev-python/sphinx-rtd-theme[python_targets_python3_10(-)] dev-python/numpydoc[python_targets_python3_10(-)] ) ) ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.2.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_10(-)?,python_targets_python3_11(-)?]
DEFINED_PHASES=compile configure install prepare test
-DEPEND=dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?]
+DEPEND=dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?]
DESCRIPTION=A module for working with NMR data in Python
EAPI=8
HOMEPAGE=https://www.nmrglue.com/
INHERIT=distutils-r1
-IUSE=test doc python_targets_python3_9 python_targets_python3_10 python_targets_python3_11
+IUSE=test doc python_targets_python3_10 python_targets_python3_11
KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
LICENSE=BSD
-RDEPEND=dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
-REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 )
+RDEPEND=dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
+REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 )
RESTRICT=test !test? ( test )
SLOT=0
SRC_URI=https://github.com/jjhelmus/nmrglue/archive/v0.9.tar.gz -> nmrglue-0.9.tar.gz
-_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
+_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
_md5_=35402f3cad87acaf5206a404dff8d4ae
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225
index a2ed21f191f6..a2249c287437 100644
--- a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225
+++ b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225
@@ -1,17 +1,17 @@
BDEPEND=dev-lang/perl doc? ( app-doc/doxygen dev-texlive/texlive-latex ) perl? ( >=dev-lang/swig-2 ) python? ( >=dev-lang/swig-2 ) test? ( dev-lang/python ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst postrm prepare pretend setup test
-DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl )
+DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl )
DESCRIPTION=Interconverts file formats used in molecular modeling
EAPI=8
HOMEPAGE=https://openbabel.org/
INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwidgets xdg-utils
-IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_9 python_targets_python3_10 python_targets_python3_11
+IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11
KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux ~ppc-macos
LICENSE=GPL-2
-RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl )
-REQUIRED_USE=python? ( || ( python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 ) ) test? ( inchi json !minimal wxwidgets )
+RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl )
+REQUIRED_USE=python? ( || ( python_targets_python3_10 python_targets_python3_11 ) ) test? ( inchi json !minimal wxwidgets )
RESTRICT=!test? ( test )
SLOT=0/7.0.0
SRC_URI=https://github.com/openbabel/openbabel/archive/08e23f39b0cc39b4eebd937a5a2ffc1a7bac3e1b.tar.gz -> openbabel-3.1.1_p20210225.tar.gz https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png https://openbabel.org/OBTitle.jpg -> openbabel.jpg
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c desktop 021728fdc1b03b36357dbc89489e0f0d perl-functions c3fca037246e877693badea0df3b0ef8 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-r1 3c6cd0f418ba702c186a9865b85e704d wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c desktop 021728fdc1b03b36357dbc89489e0f0d perl-functions c3fca037246e877693badea0df3b0ef8 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-r1 3c6cd0f418ba702c186a9865b85e704d wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5
_md5_=d569db4cd3e72f18afa12e1236e9fafb
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-9999 b/metadata/md5-cache/sci-chemistry/openbabel-9999
index 2fc752a82986..2bbb3629f1db 100644
--- a/metadata/md5-cache/sci-chemistry/openbabel-9999
+++ b/metadata/md5-cache/sci-chemistry/openbabel-9999
@@ -1,17 +1,17 @@
BDEPEND=dev-lang/perl doc? ( app-doc/doxygen dev-texlive/texlive-latex ) perl? ( >=dev-lang/swig-2 ) python? ( >=dev-lang/swig-2 ) test? ( dev-lang/python ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
DEFINED_PHASES=compile configure install postinst postrm prepare pretend setup test unpack
-DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl )
+DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl )
DESCRIPTION=Interconverts file formats used in molecular modeling
EAPI=8
HOMEPAGE=https://openbabel.org/
INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwidgets xdg-utils git-r3
-IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_9 python_targets_python3_10 python_targets_python3_11
+IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11
LICENSE=GPL-2
PROPERTIES=live
-RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl )
-REQUIRED_USE=python? ( || ( python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 ) ) test? ( inchi json !minimal wxwidgets )
+RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl )
+REQUIRED_USE=python? ( || ( python_targets_python3_10 python_targets_python3_11 ) ) test? ( inchi json !minimal wxwidgets )
RESTRICT=!test? ( test )
SLOT=0/7.0.0
SRC_URI=https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png https://openbabel.org/OBTitle.jpg -> openbabel.jpg
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c desktop 021728fdc1b03b36357dbc89489e0f0d perl-functions c3fca037246e877693badea0df3b0ef8 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-r1 3c6cd0f418ba702c186a9865b85e704d wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 git-r3 27e13c09a4c7e4c78ac812f74727e676
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c desktop 021728fdc1b03b36357dbc89489e0f0d perl-functions c3fca037246e877693badea0df3b0ef8 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-r1 3c6cd0f418ba702c186a9865b85e704d wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 git-r3 27e13c09a4c7e4c78ac812f74727e676
_md5_=e53077b973bbdce4a2cec3f011cd7c33
diff --git a/metadata/md5-cache/sci-chemistry/propka-3.4.0 b/metadata/md5-cache/sci-chemistry/propka-3.4.0
index 2a824d9938c4..3d1a754b232a 100644
--- a/metadata/md5-cache/sci-chemistry/propka-3.4.0
+++ b/metadata/md5-cache/sci-chemistry/propka-3.4.0
@@ -1,16 +1,16 @@
-BDEPEND=test? ( dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) >=dev-python/gpep517-13[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.2.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?]
+BDEPEND=test? ( dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.2.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_10(-)?,python_targets_python3_11(-)?]
DEFINED_PHASES=compile configure install prepare test
DESCRIPTION=pKa-value prediction of ionizable groups in protein and protein-ligand complexes
EAPI=8
HOMEPAGE=https://github.com/jensengroup/propka
INHERIT=distutils-r1
-IUSE=test python_targets_python3_9 python_targets_python3_10 python_targets_python3_11
+IUSE=test python_targets_python3_10 python_targets_python3_11
KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
LICENSE=LGPL-2.1
-RDEPEND=dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
-REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 )
+RDEPEND=dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
+REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 )
RESTRICT=!test? ( test )
SLOT=0
SRC_URI=https://github.com/jensengroup/propka/archive/refs/tags/v3.4.0.tar.gz -> propka-3.4.0.gh.tar.gz
-_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
+_eclasses_=out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib d1408425c7c4a7669b9b17735404b693 toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
_md5_=df9c2734ddc4d3199b2a42247a6a9496
diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2
index 2dac007f1309..316d3200af36 100644
--- a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2
+++ b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2
@@ -1,17 +1,17 @@
-BDEPEND=python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
+BDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
DEFINED_PHASES=compile configure install postinst postrm preinst prepare test
-DEPEND=|| ( dev-cpp/msgpack-cxx dev-libs/msgpack[cxx(-)] ) dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/PyQt5[opengl,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pmw[python_targets_python3_9(-)?,python_targets_python3_10(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= )
+DEPEND=|| ( dev-cpp/msgpack-cxx dev-libs/msgpack[cxx(-)] ) dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_10(-)?] dev-python/PyQt5[opengl,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_10(-)?] dev-python/pmw[python_targets_python3_10(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= )
DESCRIPTION=A Python-extensible molecular graphics system
EAPI=8
HOMEPAGE=https://www.pymol.org/
IDEPEND=dev-util/desktop-file-utils x11-misc/shared-mime-info
INHERIT=desktop flag-o-matic xdg distutils-r1
-IUSE=+netcdf web python_targets_python3_9 python_targets_python3_10
+IUSE=+netcdf web python_targets_python3_10
KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
LICENSE=BitstreamVera BSD freedist HPND OFL public-domain UoI-NCSA
-RDEPEND=|| ( dev-cpp/msgpack-cxx dev-libs/msgpack[cxx(-)] ) dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/PyQt5[opengl,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pmw[python_targets_python3_9(-)?,python_targets_python3_10(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) sci-chemistry/chemical-mime-data python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
-REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
+RDEPEND=|| ( dev-cpp/msgpack-cxx dev-libs/msgpack[cxx(-)] ) dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_10(-)?] dev-python/PyQt5[opengl,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_10(-)?] dev-python/pmw[python_targets_python3_10(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) sci-chemistry/chemical-mime-data python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
+REQUIRED_USE=|| ( python_targets_python3_10 )
SLOT=0
SRC_URI=https://dev.gentoo.org/~pacho/pymol/pymol-1.8.4.0.png.xz https://github.com/schrodinger/pymol-open-source/archive/v2.5.0.tar.gz -> pymol-2.5.0.tar.gz
-_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a xdg-utils baea6080dd821f5562d715887954c9d3 xdg 4a14c5c24f121e7da66e5aab4a168c6e out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
+_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a xdg-utils baea6080dd821f5562d715887954c9d3 xdg 4a14c5c24f121e7da66e5aab4a168c6e out-of-source-utils 1a9007554652a6e627edbccb3c25a439 multibuild bddcb51b74f4a76724ff7cf8e7388869 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-r1 3c6cd0f418ba702c186a9865b85e704d distutils-r1 ff196cc3d0837f4b97547cbf8abeec65
_md5_=f39e6f47ef598acf182b315199f4b61e
diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57
index 6578bd53e575..b403ef451cf8 100644
--- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57
+++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57
@@ -1,18 +1,18 @@
BDEPEND=virtual/pkgconfig dev-lang/swig
DEFINED_PHASES=compile configure install nofetch postinst postrm preinst prepare setup
-DEPEND=python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama )
+DEPEND=python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama )
DESCRIPTION=Visual Molecular Dynamics
EAPI=8
HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/
IDEPEND=dev-util/desktop-file-utils x11-misc/shared-mime-info
INHERIT=cuda desktop flag-o-matic prefix python-single-r1 toolchain-funcs xdg
-IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_single_target_python3_9 python_single_target_python3_10
+IUSE=cuda gromacs msms povray sqlite tachyon xinerama +python_single_target_python3_10
KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
LICENSE=vmd
-RDEPEND=python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/chemical-mime-data sci-chemistry/surf x11-misc/xdg-utils x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray )
-REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10 )
+RDEPEND=python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/chemical-mime-data sci-chemistry/surf x11-misc/xdg-utils x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray )
+REQUIRED_USE=^^ ( python_single_target_python3_10 )
RESTRICT=fetch
SLOT=0
SRC_URI=vmd-1.9.4a57.src.tar.gz fetch+https://dev.gentoo.org/~pacho/vmd/vmd-1.9.4_alpha57-gentoo-patches.tar.xz
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a cuda 13d76baf0dc95e560610c6b7dfa79db4 desktop 021728fdc1b03b36357dbc89489e0f0d prefix eab3c99d77fe00506c109c8a736186f7 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 xdg-utils baea6080dd821f5562d715887954c9d3 xdg 4a14c5c24f121e7da66e5aab4a168c6e
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a cuda 13d76baf0dc95e560610c6b7dfa79db4 desktop 021728fdc1b03b36357dbc89489e0f0d prefix eab3c99d77fe00506c109c8a736186f7 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 xdg-utils baea6080dd821f5562d715887954c9d3 xdg 4a14c5c24f121e7da66e5aab4a168c6e
_md5_=73710647c2d656d0979711d61e4e809f
diff --git a/metadata/md5-cache/sci-chemistry/votca-2022 b/metadata/md5-cache/sci-chemistry/votca-2022
index 5310f755f8cd..cfdb7e190184 100644
--- a/metadata/md5-cache/sci-chemistry/votca-2022
+++ b/metadata/md5-cache/sci-chemistry/votca-2022
@@ -1,17 +1,17 @@
BDEPEND=virtual/pkgconfig >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst prepare setup test
-DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
DESCRIPTION=Versatile Object-oriented Toolkit for Coarse-graining Applications
EAPI=7
HOMEPAGE=https://www.votca.org/
INHERIT=bash-completion-r1 cmake python-single-r1
-IUSE=+gromacs test python_single_target_python3_9 python_single_target_python3_10
+IUSE=+gromacs test +python_single_target_python3_10
KEYWORDS=amd64 x86 ~amd64-linux
LICENSE=Apache-2.0
-RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
-REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10 )
+RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+REQUIRED_USE=^^ ( python_single_target_python3_10 )
RESTRICT=!test? ( test )
SLOT=0
SRC_URI=https://github.com/votca/votca/archive/v2022.tar.gz -> votca-2022.tar.gz
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 edos2unix 33e347e171066657f91f8b0c72ec8773 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 wrapper 4a1902f969e5718126434fc35f3a0d9c eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 edos2unix 33e347e171066657f91f8b0c72ec8773 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 wrapper 4a1902f969e5718126434fc35f3a0d9c eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562
_md5_=c60ca57b3113e53bc498c75613cb485c
diff --git a/metadata/md5-cache/sci-chemistry/votca-2022.1 b/metadata/md5-cache/sci-chemistry/votca-2022.1
index b6aece2fb586..6116d8aec9af 100644
--- a/metadata/md5-cache/sci-chemistry/votca-2022.1
+++ b/metadata/md5-cache/sci-chemistry/votca-2022.1
@@ -1,17 +1,17 @@
BDEPEND=virtual/pkgconfig >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst prepare setup test
-DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
DESCRIPTION=Versatile Object-oriented Toolkit for Coarse-graining Applications
EAPI=7
HOMEPAGE=https://www.votca.org/
INHERIT=bash-completion-r1 cmake python-single-r1
-IUSE=+gromacs test python_single_target_python3_9 python_single_target_python3_10
+IUSE=+gromacs test +python_single_target_python3_10
KEYWORDS=~amd64 ~x86 ~amd64-linux
LICENSE=Apache-2.0
-RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
-REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10 )
+RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+REQUIRED_USE=^^ ( python_single_target_python3_10 )
RESTRICT=!test? ( test )
SLOT=0
SRC_URI=https://github.com/votca/votca/archive/v2022.1.tar.gz -> votca-2022.1.tar.gz
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 edos2unix 33e347e171066657f91f8b0c72ec8773 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 wrapper 4a1902f969e5718126434fc35f3a0d9c eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 edos2unix 33e347e171066657f91f8b0c72ec8773 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 wrapper 4a1902f969e5718126434fc35f3a0d9c eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562
_md5_=4652fac7d0d919a31b5394224c0f9960
diff --git a/metadata/md5-cache/sci-chemistry/votca-9999 b/metadata/md5-cache/sci-chemistry/votca-9999
index bcc2e34d45ad..e6d4f5bd55de 100644
--- a/metadata/md5-cache/sci-chemistry/votca-9999
+++ b/metadata/md5-cache/sci-chemistry/votca-9999
@@ -1,16 +1,16 @@
BDEPEND=virtual/pkgconfig >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
DEFINED_PHASES=compile configure install postinst prepare setup test unpack
-DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
DESCRIPTION=Versatile Object-oriented Toolkit for Coarse-graining Applications
EAPI=7
HOMEPAGE=https://www.votca.org/
INHERIT=bash-completion-r1 cmake python-single-r1 git-r3
-IUSE=+gromacs test python_single_target_python3_9 python_single_target_python3_10
+IUSE=+gromacs test +python_single_target_python3_10
LICENSE=Apache-2.0
PROPERTIES=live
-RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
-REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10 )
+RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+REQUIRED_USE=^^ ( python_single_target_python3_10 )
RESTRICT=!test? ( test )
SLOT=0
-_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 edos2unix 33e347e171066657f91f8b0c72ec8773 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 wrapper 4a1902f969e5718126434fc35f3a0d9c eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 python-single-r1 75118e916668a74c660a13b0ecb22562 git-r3 27e13c09a4c7e4c78ac812f74727e676
+_eclasses_=toolchain-funcs 14a8ae365191b518fad51caad7a08f3e multilib d1408425c7c4a7669b9b17735404b693 bash-completion-r1 59cf54afadd3b37d31d9d85c7d7d8067 edos2unix 33e347e171066657f91f8b0c72ec8773 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 wrapper 4a1902f969e5718126434fc35f3a0d9c eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 514815b1cc0dd4aeac177c2e812b3b1a multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 xdg-utils baea6080dd821f5562d715887954c9d3 cmake 7fb5980de96325cbab639f5b2187357c eapi8-dosym 741bfa77afb2a9321261501aca58c208 python-utils-r1 4544ab96b58e177dc52d75e42f5ee307 python-single-r1 75118e916668a74c660a13b0ecb22562 git-r3 27e13c09a4c7e4c78ac812f74727e676
_md5_=4652fac7d0d919a31b5394224c0f9960