From 2fd57282f0262ca084e05b0f2c63fbada395d02b Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Sun, 16 Jan 2022 20:27:28 +0000 Subject: gentoo resync : 16.01.2021 --- .../md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1 | 12 ++++++------ metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 | 12 ++++++------ metadata/md5-cache/sci-chemistry/MDAnalysis-2.0.0 | 6 +++--- metadata/md5-cache/sci-chemistry/Manifest.gz | Bin 15885 -> 16048 bytes metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6 | 6 +++--- metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 | 6 +++--- metadata/md5-cache/sci-chemistry/gromacs-2020.6-r1 | 6 +++--- metadata/md5-cache/sci-chemistry/gromacs-2021.2-r1 | 6 +++--- metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 | 6 +++--- metadata/md5-cache/sci-chemistry/gromacs-2021.4 | 6 +++--- metadata/md5-cache/sci-chemistry/gromacs-2021.9999 | 6 +++--- metadata/md5-cache/sci-chemistry/gromacs-2022.9999 | 6 +++--- .../md5-cache/sci-chemistry/gromacs-2022_beta1-r2 | 6 +++--- metadata/md5-cache/sci-chemistry/gromacs-9999 | 6 +++--- metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 | 6 +++--- metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 | 6 +++--- metadata/md5-cache/sci-chemistry/modeller-9.25 | 6 +++--- metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 | 6 +++--- metadata/md5-cache/sci-chemistry/nmrglue-0.7 | 6 +++--- .../sci-chemistry/openbabel-3.1.1_p20210225 | 6 +++--- metadata/md5-cache/sci-chemistry/openbabel-9999 | 6 +++--- metadata/md5-cache/sci-chemistry/propka-3.2.0 | 6 +++--- metadata/md5-cache/sci-chemistry/pymol-2.5.0 | 6 +++--- metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha51 | 6 +++--- metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55 | 6 +++--- metadata/md5-cache/sci-chemistry/votca-2022 | 15 +++++++++++++++ 26 files changed, 93 insertions(+), 78 deletions(-) create mode 100644 metadata/md5-cache/sci-chemistry/votca-2022 (limited to 'metadata/md5-cache/sci-chemistry') diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1 index bc3a385393c2..adad14f5a695 100644 --- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1 +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1 @@ -1,15 +1,15 @@ -BDEPEND=dev-python/six[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/matplotlib[python_targets_python3_8(-)?,python_targets_python3_9(-)?] sci-libs/numkit[python_targets_python3_8(-)?,python_targets_python3_9(-)?] test? ( >=dev-python/pandas-0.17[python_targets_python3_8(-)?,python_targets_python3_9(-)?] ) test? ( dev-python/six[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/matplotlib[python_targets_python3_8(-)?,python_targets_python3_9(-)?] sci-libs/numkit[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/pytest-4.5.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?,python_targets_python3_9(-)?] +BDEPEND=dev-python/six[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] test? ( >=dev-python/pandas-0.17[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) test? ( dev-python/six[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/pytest-6.2.5-r2[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] DEFINED_PHASES=compile configure install prepare test unpack DESCRIPTION=Python framework for Gromacs EAPI=7 HOMEPAGE=https://gromacswrapper.readthedocs.io -IUSE=test python_targets_python3_8 python_targets_python3_9 +IUSE=test python_targets_python3_8 python_targets_python3_9 python_targets_python3_10 KEYWORDS=~amd64 ~x86 LICENSE=GPL-3 LGPL-3 -RDEPEND=dev-python/six[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/matplotlib[python_targets_python3_8(-)?,python_targets_python3_9(-)?] sci-libs/numkit[python_targets_python3_8(-)?,python_targets_python3_9(-)?] python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] -REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 ) +RDEPEND=dev-python/six[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) +REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targets_python3_10 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/Becksteinlab/GromacsWrapper/archive/release-0.8.0.tar.gz -> GromacsWrapper-0.8.0.tar.gz -_eclasses_=distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 vcs-snapshot b1abf460a493fc59ebb25de0df3f09dd wrapper 4251d4c84c25f59094fd557e0063a974 -_md5_=02ab15bd0be40f1104b82e10c946a29a +_eclasses_=distutils-r1 197346452a3983cc5891d518dad6e19a eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 4c008ab1e6c02cbead059dfe8b864c26 python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 vcs-snapshot b1abf460a493fc59ebb25de0df3f09dd +_md5_=488ae7cbcc578e8701d473e8f3cc3bfe diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 b/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 index 4fcead12330c..d48892946ed7 100644 --- a/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 +++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 @@ -1,15 +1,15 @@ -BDEPEND=>=dev-python/numpy-1.13.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=sci-biology/biopython-1.71[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/networkx-1.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/joblib-0.12[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/netcdf4-python[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/mock[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/duecredit[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/six-1.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] test? ( >=dev-python/numpy-1.13.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=sci-biology/biopython-1.71[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/networkx-1.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/joblib-0.12[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/netcdf4-python[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/mock[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/duecredit[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/six-1.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/nose-1.3.7-r4[python_targets_python3_8(-)?,python_targets_python3_9(-)?] ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?,python_targets_python3_9(-)?] +BDEPEND=>=dev-python/numpy-1.13.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/netcdf4-python[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/mock[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/duecredit[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/six-1.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] test? ( >=dev-python/numpy-1.13.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/netcdf4-python[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/mock[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/duecredit[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/six-1.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/nose-1.3.7-r4[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] DEFINED_PHASES=compile configure install prepare test DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories EAPI=7 HOMEPAGE=https://www.mdanalysis.org -IUSE=test test python_targets_python3_8 python_targets_python3_9 +IUSE=test test python_targets_python3_8 python_targets_python3_9 python_targets_python3_10 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=GPL-2 -RDEPEND=>=dev-python/numpy-1.13.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=sci-biology/biopython-1.71[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/networkx-1.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/joblib-0.12[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/netcdf4-python[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/mock[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/duecredit[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/six-1.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] -REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 ) +RDEPEND=>=dev-python/numpy-1.13.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/netcdf4-python[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/mock[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/duecredit[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/six-1.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) +REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targets_python3_10 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=mirror://pypi/M/MDAnalysis/MDAnalysis-1.0.0.tar.gz -_eclasses_=distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 -_md5_=173924a2840018a8cf103252a07a1c8d +_eclasses_=distutils-r1 197346452a3983cc5891d518dad6e19a eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 4c008ab1e6c02cbead059dfe8b864c26 python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 +_md5_=e07b9d991b0ebdc5253eec932ecf80ed diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.0.0 b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.0.0 index 26660b84e495..659b64a3aea0 100644 --- a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.0.0 +++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.0.0 @@ -1,4 +1,4 @@ -BDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] test? ( >=dev-python/numpy-1.16.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/nose-1.3.7-r4[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) python_targets_python3_10? ( dev-lang/python:3.10 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] +BDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] test? ( >=dev-python/numpy-1.16.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/nose-1.3.7-r4[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] DEFINED_PHASES=compile configure install prepare test DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories EAPI=8 @@ -6,10 +6,10 @@ HOMEPAGE=https://www.mdanalysis.org IUSE=test python_targets_python3_8 python_targets_python3_9 python_targets_python3_10 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=GPL-2 -RDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) python_targets_python3_10? ( dev-lang/python:3.10 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] +RDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targets_python3_10 ) RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=mirror://pypi/M/MDAnalysis/MDAnalysis-2.0.0.tar.gz -_eclasses_=distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 +_eclasses_=distutils-r1 197346452a3983cc5891d518dad6e19a multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 4c008ab1e6c02cbead059dfe8b864c26 python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 _md5_=ee1c9d9dd59c78af672cdcd2522e7f83 diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz index 8268445f5c96..900cfb0d501f 100644 Binary files a/metadata/md5-cache/sci-chemistry/Manifest.gz and b/metadata/md5-cache/sci-chemistry/Manifest.gz differ diff --git a/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6 b/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6 index 9c604e9447f9..d0185f38624a 100644 --- a/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6 +++ b/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6 @@ -1,4 +1,4 @@ -BDEPEND=test? ( python_single_target_python3_8? ( >=dev-python/asteval-0.9.25[python_targets_python3_8(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_8(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_8(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_8(-)] >=dev-python/numpy-1.21.2[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-1.7.0[python_targets_python3_8(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_8(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_9(-)] >=dev-python/numpy-1.21.2[python_targets_python3_9(-)] dev-python/setuptools_scm[python_targets_python3_9(-)] >=dev-python/scipy-1.7.0[python_targets_python3_9(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_9(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_10(-)] >=dev-python/numpy-1.21.2[python_targets_python3_10(-)] dev-python/setuptools_scm[python_targets_python3_10(-)] >=dev-python/scipy-1.7.0[python_targets_python3_10(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_10(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_10(-)] ) python_single_target_python3_8? ( >=dev-python/pytest-4.5.0[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/pytest-4.5.0[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-4.5.0[python_targets_python3_10(-)] ) ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) python_single_target_python3_8? ( >=dev-python/pyproject2setuppy-22[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/pyproject2setuppy-22[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pyproject2setuppy-22[python_targets_python3_10(-)] ) +BDEPEND=test? ( python_single_target_python3_8? ( >=dev-python/asteval-0.9.25[python_targets_python3_8(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_8(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_8(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_8(-)] >=dev-python/numpy-1.21.2[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-1.7.0[python_targets_python3_8(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_8(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_9(-)] >=dev-python/numpy-1.21.2[python_targets_python3_9(-)] dev-python/setuptools_scm[python_targets_python3_9(-)] >=dev-python/scipy-1.7.0[python_targets_python3_9(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_9(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_10(-)] >=dev-python/numpy-1.21.2[python_targets_python3_10(-)] dev-python/setuptools_scm[python_targets_python3_10(-)] >=dev-python/scipy-1.7.0[python_targets_python3_10(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_10(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_10(-)] ) python_single_target_python3_8? ( >=dev-python/pytest-6.2.5-r2[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/pytest-6.2.5-r2[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-6.2.5-r2[python_targets_python3_10(-)] ) ) python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) python_single_target_python3_8? ( >=dev-python/pyproject2setuppy-22[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/pyproject2setuppy-22[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pyproject2setuppy-22[python_targets_python3_10(-)] ) DEFINED_PHASES=compile configure install prepare setup test DEPEND=python_single_target_python3_8? ( >=dev-python/asteval-0.9.25[python_targets_python3_8(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_8(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_8(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_8(-)] >=dev-python/numpy-1.21.2[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-1.7.0[python_targets_python3_8(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_8(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_9(-)] >=dev-python/numpy-1.21.2[python_targets_python3_9(-)] dev-python/setuptools_scm[python_targets_python3_9(-)] >=dev-python/scipy-1.7.0[python_targets_python3_9(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_9(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_10(-)] >=dev-python/numpy-1.21.2[python_targets_python3_10(-)] dev-python/setuptools_scm[python_targets_python3_10(-)] >=dev-python/scipy-1.7.0[python_targets_python3_10(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_10(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_10(-)] ) DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data @@ -7,10 +7,10 @@ HOMEPAGE=https://github.com/gbouvignies/chemex IUSE=test test python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 KEYWORDS=~amd64 LICENSE=BSD -RDEPEND=python_single_target_python3_8? ( >=dev-python/asteval-0.9.25[python_targets_python3_8(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_8(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_8(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_8(-)] >=dev-python/numpy-1.21.2[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-1.7.0[python_targets_python3_8(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_8(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_9(-)] >=dev-python/numpy-1.21.2[python_targets_python3_9(-)] dev-python/setuptools_scm[python_targets_python3_9(-)] >=dev-python/scipy-1.7.0[python_targets_python3_9(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_9(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_10(-)] >=dev-python/numpy-1.21.2[python_targets_python3_10(-)] dev-python/setuptools_scm[python_targets_python3_10(-)] >=dev-python/scipy-1.7.0[python_targets_python3_10(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_10(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_10(-)] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) +RDEPEND=python_single_target_python3_8? ( >=dev-python/asteval-0.9.25[python_targets_python3_8(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_8(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_8(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_8(-)] >=dev-python/numpy-1.21.2[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-1.7.0[python_targets_python3_8(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_8(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_9(-)] >=dev-python/numpy-1.21.2[python_targets_python3_9(-)] dev-python/setuptools_scm[python_targets_python3_9(-)] >=dev-python/scipy-1.7.0[python_targets_python3_9(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_9(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/jsonschema-4.1.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.4.3[python_targets_python3_10(-)] >=dev-python/numpy-1.21.2[python_targets_python3_10(-)] dev-python/setuptools_scm[python_targets_python3_10(-)] >=dev-python/scipy-1.7.0[python_targets_python3_10(-)] >=dev-python/tomlkit-0.7.2[python_targets_python3_10(-)] >=dev-python/tqdm-4.61.1[python_targets_python3_10(-)] ) python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=https://github.com/gbouvignies/chemex/archive/2021.4.0-dev6.tar.gz -> chemex-2021.4.0_p6.tar.gz -_eclasses_=distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 +_eclasses_=distutils-r1 197346452a3983cc5891d518dad6e19a multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-single-r1 9783802d3840cbbd78c02b313df760cc python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 _md5_=e88fafb6cccdbbff67212d6d8600b15b diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 index 376de8cef9c0..6d4ce0d2ec17 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 @@ -1,4 +1,4 @@ -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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=7 @@ -6,10 +6,10 @@ HOMEPAGE=http://www.gromacs.org/ 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_8 python_single_target_python3_9 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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) RESTRICT=!test? ( test ) SLOT=0/2020.4 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2020.4.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.4.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.4.tar.gz ) -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 197346452a3983cc5891d518dad6e19a eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 9783802d3840cbbd78c02b313df760cc python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=d4a1466de7b41ca68c0af3b41d41045d diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.6-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2020.6-r1 index 8e9ac1a92a6d..36071aec4a28 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2020.6-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.6-r1 @@ -1,4 +1,4 @@ -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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=7 @@ -6,10 +6,10 @@ HOMEPAGE=http://www.gromacs.org/ 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_8 python_single_target_python3_9 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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) RESTRICT=!test? ( test ) SLOT=0/2020.6 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2020.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.6.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.6.tar.gz ) -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 197346452a3983cc5891d518dad6e19a eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 9783802d3840cbbd78c02b313df760cc python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=5f578ac93f0a9afb10ead42feda2e6d3 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.2-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2021.2-r1 index 78880dd8c0a3..eac2d0a28995 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.2-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.2-r1 @@ -1,4 +1,4 @@ -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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=7 @@ -6,10 +6,10 @@ HOMEPAGE=http://www.gromacs.org/ 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_8 python_single_target_python3_9 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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) RESTRICT=!test? ( test ) SLOT=0/2021.2 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.2.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.2.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.2.tar.gz ) -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 197346452a3983cc5891d518dad6e19a eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 9783802d3840cbbd78c02b313df760cc python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=9e383793917498b18e2703d0f68181bb diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 index 2ed8e8287204..56e754cc1a99 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 @@ -1,4 +1,4 @@ -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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -6,10 +6,10 @@ HOMEPAGE=http://www.gromacs.org/ 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_8 python_single_target_python3_9 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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) RESTRICT=!test? ( test ) SLOT=0/2021.3 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.3.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.3.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.3.tar.gz ) -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 flag-o-matic d5e1306543bc457213f68bb18f830d14 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 197346452a3983cc5891d518dad6e19a flag-o-matic d5e1306543bc457213f68bb18f830d14 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 9783802d3840cbbd78c02b313df760cc python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=25e164273615d4917aaeea1c14427552 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.4 b/metadata/md5-cache/sci-chemistry/gromacs-2021.4 index 59a52c81f8af..45607620d10f 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.4 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.4 @@ -1,4 +1,4 @@ -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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -6,10 +6,10 @@ HOMEPAGE=http://www.gromacs.org/ 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_8 python_single_target_python3_9 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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) RESTRICT=!test? ( test ) SLOT=0/2021.4 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.4.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.4.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.4.tar.gz ) -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 flag-o-matic d5e1306543bc457213f68bb18f830d14 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 197346452a3983cc5891d518dad6e19a flag-o-matic d5e1306543bc457213f68bb18f830d14 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 9783802d3840cbbd78c02b313df760cc python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=f870b7fa07548e1a61d614182f39bfd7 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 index b8a1a6f8863d..3a3e2f3730dd 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 @@ -1,4 +1,4 @@ -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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) >=dev-vcs/git-1.8.2.1[curl] +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) >=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=7 @@ -6,9 +6,9 @@ HOMEPAGE=http://www.gromacs.org/ 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_8 python_single_target_python3_9 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) PROPERTIES=live -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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) RESTRICT=!test? ( test ) SLOT=0/2021.9999 -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 197346452a3983cc5891d518dad6e19a eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 9783802d3840cbbd78c02b313df760cc python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=2d57435e93545cedb43919d1baa7d17f diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 index 2e7ab545d2fc..b6c561d63d4b 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 @@ -1,4 +1,4 @@ -BDEPEND=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 ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) >=dev-vcs/git-1.8.2.1[curl] +BDEPEND=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 ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) >=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 @@ -6,9 +6,9 @@ HOMEPAGE=http://www.gromacs.org/ IUSE=blas 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_8 python_single_target_python3_9 python_single_target_python3_10 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-6.5.14[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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi =dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) +RDEPEND=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 ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi =dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) RESTRICT=!test? ( test ) SLOT=0/2022.9999 -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 flag-o-matic d5e1306543bc457213f68bb18f830d14 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 197346452a3983cc5891d518dad6e19a flag-o-matic d5e1306543bc457213f68bb18f830d14 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 9783802d3840cbbd78c02b313df760cc python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=60a2c6523423772b4e5813588723d7b7 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022_beta1-r2 b/metadata/md5-cache/sci-chemistry/gromacs-2022_beta1-r2 index 23fedbda22e0..c3c500c41f91 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2022_beta1-r2 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022_beta1-r2 @@ -1,4 +1,4 @@ -BDEPEND=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 ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) +BDEPEND=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 ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -6,10 +6,10 @@ HOMEPAGE=http://www.gromacs.org/ IUSE=blas 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_8 python_single_target_python3_9 python_single_target_python3_10 KEYWORDS=~amd64 ~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-6.5.14[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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi =dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) +RDEPEND=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 ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi =dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) RESTRICT=!test? ( test ) SLOT=0/2022_beta1 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2022-beta1.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022-beta1.pdf -> manual-2022_beta1.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2022-beta1.tar.gz ) -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 flag-o-matic d5e1306543bc457213f68bb18f830d14 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 197346452a3983cc5891d518dad6e19a flag-o-matic d5e1306543bc457213f68bb18f830d14 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 9783802d3840cbbd78c02b313df760cc python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=60a2c6523423772b4e5813588723d7b7 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999 index 9536bad3a716..dc913d95d344 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-9999 @@ -1,4 +1,4 @@ -BDEPEND=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 ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) >=dev-vcs/git-1.8.2.1[curl] +BDEPEND=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 ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) >=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 @@ -6,9 +6,9 @@ HOMEPAGE=http://www.gromacs.org/ IUSE=blas 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_8 python_single_target_python3_9 python_single_target_python3_10 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-6.5.14[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_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) !sci-chemistry/gmxapi =dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) +RDEPEND=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 ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi =dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) RESTRICT=!test? ( test ) SLOT=0/9999 -_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 flag-o-matic d5e1306543bc457213f68bb18f830d14 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 cuda 8d9c9803e990e31a336935435383ac43 distutils-r1 197346452a3983cc5891d518dad6e19a flag-o-matic d5e1306543bc457213f68bb18f830d14 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-single-r1 9783802d3840cbbd78c02b313df760cc python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 readme.gentoo-r1 eebd0164fe61f4f7b64a683e83fdceb1 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=60a2c6523423772b4e5813588723d7b7 diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 index a3d8d054dbe3..0c748e5d6fc4 100644 --- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 +++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 @@ -1,4 +1,4 @@ -BDEPEND=test? ( dev-python/astor[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/pandas[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/pytables[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/networkx[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/pytest-4.5.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?] ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?,python_targets_python3_9(-)?] +BDEPEND=test? ( dev-python/astor[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/pandas[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/pytables[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/networkx[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/pytest-6.2.5-r2[python_targets_python3_8(-)?,python_targets_python3_9(-)?] ) python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?,python_targets_python3_9(-)?] DEFINED_PHASES=compile configure install prepare test DEPEND=dev-python/astor[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/pandas[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/pytables[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/networkx[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] test? ( dev-python/jupyter_client[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/nbformat[python_targets_python3_8(-)?,python_targets_python3_9(-)?] ) DESCRIPTION=Read, write and analyze MD trajectories with only a few lines of Python code @@ -7,10 +7,10 @@ HOMEPAGE=http://mdtraj.org IUSE=test python_targets_python3_8 python_targets_python3_9 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=GPL-2 -RDEPEND=dev-python/astor[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/pandas[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/pytables[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/networkx[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] +RDEPEND=dev-python/astor[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/pandas[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/pytables[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/networkx[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 ) RESTRICT=test SLOT=0 SRC_URI=mirror://pypi/m/mdtraj/mdtraj-1.9.4.tar.gz -_eclasses_=distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 +_eclasses_=distutils-r1 197346452a3983cc5891d518dad6e19a eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 4c008ab1e6c02cbead059dfe8b864c26 python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 _md5_=dbdcffa8a3d57c4db3c130a0096698ea diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 index c4f61bceb45e..ce578aa5c8c5 100644 --- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 +++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 @@ -1,4 +1,4 @@ -BDEPEND=test? ( dev-python/astunparse[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/pytest-4.5.0[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) python_targets_python3_10? ( dev-lang/python:3.10 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] +BDEPEND=test? ( dev-python/astunparse[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/pytest-6.2.5-r2[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] DEFINED_PHASES=compile configure install prepare test DEPEND=dev-python/astunparse[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] test? ( dev-python/ipykernel[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/jupyter_client[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/nbformat[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/scikit-learn[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) DESCRIPTION=Read, write and analyze MD trajectories with only a few lines of Python code @@ -7,10 +7,10 @@ HOMEPAGE=http://mdtraj.org IUSE=test python_targets_python3_8 python_targets_python3_9 python_targets_python3_10 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=GPL-2 -RDEPEND=dev-python/astunparse[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) python_targets_python3_10? ( dev-lang/python:3.10 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] +RDEPEND=dev-python/astunparse[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targets_python3_10 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=mirror://pypi/m/mdtraj/mdtraj-1.9.7.tar.gz -_eclasses_=distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 +_eclasses_=distutils-r1 197346452a3983cc5891d518dad6e19a multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 4c008ab1e6c02cbead059dfe8b864c26 python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 _md5_=34e3e44700bff65c157b4746eba8555a diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.25 b/metadata/md5-cache/sci-chemistry/modeller-9.25 index af988ed1665c..6f2a485a449d 100644 --- a/metadata/md5-cache/sci-chemistry/modeller-9.25 +++ b/metadata/md5-cache/sci-chemistry/modeller-9.25 @@ -1,4 +1,4 @@ -BDEPEND=python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] +BDEPEND=python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) 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 @@ -7,10 +7,10 @@ HOMEPAGE=https://salilab.org/modeller/ IUSE=doc examples python_targets_python3_8 python_targets_python3_9 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=modeller -RDEPEND=python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] +RDEPEND=python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 ) RESTRICT=mirror SLOT=0 SRC_URI=https://salilab.org/modeller/9.25/modeller-9.25.tar.gz -_eclasses_=distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 +_eclasses_=distutils-r1 197346452a3983cc5891d518dad6e19a eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 4c008ab1e6c02cbead059dfe8b864c26 python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 _md5_=5d9975b49fae85d859bbbbd318436f17 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 79c51715d5d9..f864abac4150 100644 --- a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 +++ b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 @@ -1,16 +1,16 @@ BDEPEND=doc? ( app-doc/doxygen ) dev-util/ninja >=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_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] 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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) net-libs/cppzmq:0= ) DESCRIPTION=Abstract, manage and coordinate execution of tasks EAPI=7 HOMEPAGE=https://www.openchemistry.org/projects/molequeue/ IUSE=+client doc server test +zeromq python_targets_python3_8 python_targets_python3_9 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_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] net-libs/cppzmq:0= ) +RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) net-libs/cppzmq:0= ) REQUIRED_USE=server? ( client ) test? ( server ) zeromq? ( || ( python_targets_python3_8 python_targets_python3_9 ) ) RESTRICT=test SLOT=0 SRC_URI=https://github.com/OpenChemistry/molequeue/archive/0.9.0.tar.gz -> molequeue-0.9.0.tar.gz -_eclasses_=cmake 11fee991ab428a3370e5c20fa8231fb6 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 virtualx fa024aa649b6bd544144bf94893d402c wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=cmake 11fee991ab428a3370e5c20fa8231fb6 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 python-r1 4c008ab1e6c02cbead059dfe8b864c26 python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 virtualx fa024aa649b6bd544144bf94893d402c wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=dd52a07ec2949eea740c8d0996a84e76 diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.7 b/metadata/md5-cache/sci-chemistry/nmrglue-0.7 index 8655f8242a59..5b76d656de62 100644 --- a/metadata/md5-cache/sci-chemistry/nmrglue-0.7 +++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.7 @@ -1,4 +1,4 @@ -BDEPEND=test? ( dev-python/matplotlib[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/nose-1.3.7-r4[python_targets_python3_8(-)?,python_targets_python3_9(-)?] ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?,python_targets_python3_9(-)?] +BDEPEND=test? ( dev-python/matplotlib[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] >=dev-python/nose-1.3.7-r4[python_targets_python3_8(-)?,python_targets_python3_9(-)?] ) python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?,python_targets_python3_9(-)?] DEFINED_PHASES=compile configure install prepare test DEPEND=dev-python/matplotlib[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] DESCRIPTION=A module for working with NMR data in Python @@ -7,10 +7,10 @@ HOMEPAGE=https://nmrglue.com/ IUSE=test python_targets_python3_8 python_targets_python3_9 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=BSD -RDEPEND=dev-python/matplotlib[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] +RDEPEND=dev-python/matplotlib[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) REQUIRED_USE=|| ( python_targets_python3_8 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_=distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 +_eclasses_=distutils-r1 197346452a3983cc5891d518dad6e19a eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 4c008ab1e6c02cbead059dfe8b864c26 python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 _md5_=197459a7eef5261de4cf3cb0315254ac 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 699b2f2b8a27..5dbf06b02075 100644 --- a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 +++ b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 @@ -1,16 +1,16 @@ 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 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst postrm prepare 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_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) python_targets_python3_10? ( dev-lang/python:3.10 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) 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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) ) 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/ 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_8 python_targets_python3_9 python_targets_python3_10 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_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) python_targets_python3_10? ( dev-lang/python:3.10 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl ) +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl ) REQUIRED_USE=python? ( || ( python_targets_python3_8 python_targets_python3_9 python_targets_python3_10 ) ) 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 http://openbabel.org/OBTitle.jpg -> openbabel.jpg -_eclasses_=cmake 11fee991ab428a3370e5c20fa8231fb6 desktop c0d27bf73aa08ca05b663dbd31fbef28 flag-o-matic d5e1306543bc457213f68bb18f830d14 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 perl-functions fea344a91ebf37efadf172c6a3de5a72 python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wxwidgets 7e8a20d3bacea0e3ecf6e96fb72180aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=cmake 11fee991ab428a3370e5c20fa8231fb6 desktop c0d27bf73aa08ca05b663dbd31fbef28 flag-o-matic d5e1306543bc457213f68bb18f830d14 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 perl-functions fea344a91ebf37efadf172c6a3de5a72 python-r1 4c008ab1e6c02cbead059dfe8b864c26 python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wxwidgets 7e8a20d3bacea0e3ecf6e96fb72180aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=c1db8254fc197741d3851ea56e2659ef diff --git a/metadata/md5-cache/sci-chemistry/openbabel-9999 b/metadata/md5-cache/sci-chemistry/openbabel-9999 index 3fd71c0656e6..a79df23556e6 100644 --- a/metadata/md5-cache/sci-chemistry/openbabel-9999 +++ b/metadata/md5-cache/sci-chemistry/openbabel-9999 @@ -1,16 +1,16 @@ 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 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] DEFINED_PHASES=compile configure install postinst postrm prepare 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_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) python_targets_python3_10? ( dev-lang/python:3.10 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) 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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) ) 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/ 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_8 python_targets_python3_9 python_targets_python3_10 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_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) python_targets_python3_10? ( dev-lang/python:3.10 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl ) +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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl ) REQUIRED_USE=python? ( || ( python_targets_python3_8 python_targets_python3_9 python_targets_python3_10 ) ) 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 http://openbabel.org/OBTitle.jpg -> openbabel.jpg -_eclasses_=cmake 11fee991ab428a3370e5c20fa8231fb6 desktop c0d27bf73aa08ca05b663dbd31fbef28 flag-o-matic d5e1306543bc457213f68bb18f830d14 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 perl-functions fea344a91ebf37efadf172c6a3de5a72 python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wxwidgets 7e8a20d3bacea0e3ecf6e96fb72180aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=cmake 11fee991ab428a3370e5c20fa8231fb6 desktop c0d27bf73aa08ca05b663dbd31fbef28 flag-o-matic d5e1306543bc457213f68bb18f830d14 git-r3 cc875b0c1e9b3bdac1af0f82f3ba29da multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 perl-functions fea344a91ebf37efadf172c6a3de5a72 python-r1 4c008ab1e6c02cbead059dfe8b864c26 python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wxwidgets 7e8a20d3bacea0e3ecf6e96fb72180aa xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=36b243b87a68fd519b12cfd66f824eb6 diff --git a/metadata/md5-cache/sci-chemistry/propka-3.2.0 b/metadata/md5-cache/sci-chemistry/propka-3.2.0 index 7ebf9bbd0673..9152ad05c6f9 100644 --- a/metadata/md5-cache/sci-chemistry/propka-3.2.0 +++ b/metadata/md5-cache/sci-chemistry/propka-3.2.0 @@ -1,4 +1,4 @@ -BDEPEND=test? ( dev-python/numpy[python_targets_python3_8(-)?] dev-python/pandas[python_targets_python3_8(-)?] ) python_targets_python3_8? ( dev-lang/python:3.8 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?] >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?] +BDEPEND=test? ( dev-python/numpy[python_targets_python3_8(-)?] dev-python/pandas[python_targets_python3_8(-)?] ) python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?] DEFINED_PHASES=compile configure install prepare test DESCRIPTION=pKa-value prediction of ionizable groups in protein and protein-ligand complexes EAPI=7 @@ -6,10 +6,10 @@ HOMEPAGE=https://github.com/jensengroup/propka IUSE=test python_targets_python3_8 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=LGPL-2.1 -RDEPEND=dev-python/numpy[python_targets_python3_8(-)?] python_targets_python3_8? ( dev-lang/python:3.8 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?] +RDEPEND=dev-python/numpy[python_targets_python3_8(-)?] python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) REQUIRED_USE=|| ( python_targets_python3_8 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=mirror://pypi/p/propka/propka-3.2.0.tar.gz -_eclasses_=distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 +_eclasses_=distutils-r1 197346452a3983cc5891d518dad6e19a eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b python-r1 4c008ab1e6c02cbead059dfe8b864c26 python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 _md5_=bd048f5978b21207dd0a67d80964171d diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0 index 951aee6fb518..9e611dad59e6 100644 --- a/metadata/md5-cache/sci-chemistry/pymol-2.5.0 +++ b/metadata/md5-cache/sci-chemistry/pymol-2.5.0 @@ -1,4 +1,4 @@ -BDEPEND=python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] +BDEPEND=python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) DEFINED_PHASES=compile configure install postinst postrm preinst prepare test DEPEND=dev-libs/msgpack[cxx] dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/PyQt5[opengl,python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/pmw[python_targets_python3_8(-)?,python_targets_python3_9(-)?] 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= ) dev-util/desktop-file-utils x11-misc/shared-mime-info DESCRIPTION=A Python-extensible molecular graphics system @@ -7,10 +7,10 @@ HOMEPAGE=https://www.pymol.org/ IUSE=+netcdf web python_targets_python3_8 python_targets_python3_9 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=PSF-2.2 -RDEPEND=dev-libs/msgpack[cxx] dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/PyQt5[opengl,python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/pmw[python_targets_python3_8(-)?,python_targets_python3_9(-)?] 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_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_8(-)?,python_targets_python3_9(-)?] +RDEPEND=dev-libs/msgpack[cxx] dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/PyQt5[opengl,python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_8(-)?,python_targets_python3_9(-)?] dev-python/pmw[python_targets_python3_8(-)?,python_targets_python3_9(-)?] 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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 ) RESTRICT=mirror 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 c0d27bf73aa08ca05b663dbd31fbef28 distutils-r1 63df6e5a6bbff9ec3cf60cf7cdc94f23 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 multibuild 05a584848db4901c97fcd94ae7cc3a97 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b optfeature 30ce9dec2b8943338c9b015bd32bac6a python-r1 e574a3642f886323f18f867ecc4d91c4 python-utils-r1 a8b7938ade305f087865de7e52d079b5 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wrapper 4251d4c84c25f59094fd557e0063a974 xdg 6024fbc93167fad782e2032933654857 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=desktop c0d27bf73aa08ca05b663dbd31fbef28 distutils-r1 197346452a3983cc5891d518dad6e19a eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 multibuild d79bd5b4bc4edcb1f5bc19591f8d4714 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b optfeature 30ce9dec2b8943338c9b015bd32bac6a python-r1 4c008ab1e6c02cbead059dfe8b864c26 python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wrapper 4251d4c84c25f59094fd557e0063a974 xdg 6024fbc93167fad782e2032933654857 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=c7ffea6e164d1fd0a5649c6eb3a85da0 diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha51 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha51 index 5bb882c75063..fe771eba945a 100644 --- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha51 +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha51 @@ -1,16 +1,16 @@ BDEPEND=virtual/pkgconfig dev-lang/swig DEFINED_PHASES=compile configure install nofetch postinst postrm preinst prepare setup -DEPEND=python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) >=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 ) dev-util/desktop-file-utils x11-misc/shared-mime-info +DEPEND=python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) >=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 ) dev-util/desktop-file-utils x11-misc/shared-mime-info DESCRIPTION=Visual Molecular Dynamics EAPI=7 HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/ IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_single_target_python3_8 python_single_target_python3_9 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=vmd -RDEPEND=python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) >=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 ) +RDEPEND=python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) >=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_8 python_single_target_python3_9 ) RESTRICT=fetch SLOT=0 SRC_URI=vmd-1.9.4a51.src.tar.gz https://dev.gentoo.org/~pacho/vmd/vmd-1.9.4_alpha51-gentoo-patches.tar.xz -_eclasses_=cuda 8d9c9803e990e31a336935435383ac43 desktop c0d27bf73aa08ca05b663dbd31fbef28 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b prefix d04f14b297013ad1410550c0757f14f8 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wrapper 4251d4c84c25f59094fd557e0063a974 xdg 6024fbc93167fad782e2032933654857 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=cuda 8d9c9803e990e31a336935435383ac43 desktop c0d27bf73aa08ca05b663dbd31fbef28 eapi8-dosym cd7d420bb5be5ee079f27239ce76b8f5 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b prefix d04f14b297013ad1410550c0757f14f8 python-single-r1 9783802d3840cbbd78c02b313df760cc python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wrapper 4251d4c84c25f59094fd557e0063a974 xdg 6024fbc93167fad782e2032933654857 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=8b2cc7a2bd011a6f3854147562919701 diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55 index 36e182a8e303..90b9a9a9d305 100644 --- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55 +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55 @@ -1,16 +1,16 @@ BDEPEND=virtual/pkgconfig dev-lang/swig DEFINED_PHASES=compile configure install nofetch postinst postrm preinst prepare setup -DEPEND=python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) 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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) 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 ) DESCRIPTION=Visual Molecular Dynamics EAPI=8 HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/ IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=vmd -RDEPEND=python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_10? ( dev-lang/python:3.10 >=dev-lang/python-exec-2:=[python_targets_python3_10] ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) 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 ) +RDEPEND=python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) 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_8 python_single_target_python3_9 python_single_target_python3_10 ) RESTRICT=fetch SLOT=0 SRC_URI=vmd-1.9.4a55.src.tar.gz fetch+https://dev.gentoo.org/~pacho/vmd/vmd-1.9.4_alpha51-gentoo-patches.tar.xz -_eclasses_=cuda 8d9c9803e990e31a336935435383ac43 desktop c0d27bf73aa08ca05b663dbd31fbef28 flag-o-matic d5e1306543bc457213f68bb18f830d14 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b prefix d04f14b297013ad1410550c0757f14f8 python-single-r1 d46c125afba8be02eb1cd7104bac6e9c python-utils-r1 a8b7938ade305f087865de7e52d079b5 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 xdg 6024fbc93167fad782e2032933654857 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_eclasses_=cuda 8d9c9803e990e31a336935435383ac43 desktop c0d27bf73aa08ca05b663dbd31fbef28 flag-o-matic d5e1306543bc457213f68bb18f830d14 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b prefix d04f14b297013ad1410550c0757f14f8 python-single-r1 9783802d3840cbbd78c02b313df760cc python-utils-r1 7ec9eb6bbbeccd424c0430368962d272 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 xdg 6024fbc93167fad782e2032933654857 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 _md5_=7115cb90c54b213ea4909d2b77d0f2a1 diff --git a/metadata/md5-cache/sci-chemistry/votca-2022 b/metadata/md5-cache/sci-chemistry/votca-2022 new file mode 100644 index 000000000000..5536a3742c9d --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/votca-2022 @@ -0,0 +1,15 @@ +BDEPEND=virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5 +DEFINED_PHASES=compile configure install postinst prepare test +DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp 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:= ) 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/ +IUSE=+gromacs test +KEYWORDS=~amd64 ~x86 ~amd64-linux +LICENSE=Apache-2.0 +RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp 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:= ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 +RESTRICT=!test? ( test ) +SLOT=0 +SRC_URI=https://github.com/votca/votca/archive/v2022.tar.gz -> votca-2022.tar.gz +_eclasses_=bash-completion-r1 d3a60385655d9b402be765a6de333245 cmake 11fee991ab428a3370e5c20fa8231fb6 edos2unix 33e347e171066657f91f8b0c72ec8773 eutils dab5d8ec471d025b79c9e6906bcf3bff flag-o-matic d5e1306543bc457213f68bb18f830d14 multilib de4beb52bfa93c4c5d96792a6b5e1784 multiprocessing 61c959fc55c15c00bbb1079d6a71370b ninja-utils a4dab848a4490e8e48cf0baab3e61bc2 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs badd6e329e1f3e6bee99b35bf8763ce8 wrapper 4251d4c84c25f59094fd557e0063a974 xdg-utils 4f29a8b760a594a212abe9c2ba957c31 +_md5_=469ee285e4dd23aefc9c03eff6b6ade3 -- cgit v1.2.3