diff options
Diffstat (limited to 'metadata/md5-cache/sci-chemistry')
32 files changed, 89 insertions, 89 deletions
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2 index 51c127288dc4..db655eeafb01 100644 --- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2 +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2 @@ -1,4 +1,4 @@ -BDEPEND=dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( >=dev-python/pandas-0.17[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) test? ( dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.7.2[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.40.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] +BDEPEND=dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( >=dev-python/pandas-0.17[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) test? ( dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.8.0-r1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] DEFINED_PHASES=compile configure install prepare test unpack DESCRIPTION=Python framework for Gromacs EAPI=7 @@ -7,10 +7,10 @@ INHERIT=distutils-r1 vcs-snapshot IUSE=test python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~x86 LICENSE=GPL-3 LGPL-3 -RDEPEND=dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/Becksteinlab/GromacsWrapper/archive/release-0.8.2.tar.gz -> GromacsWrapper-0.8.2.tar.gz -_eclasses_=distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c vcs-snapshot eab6d8533446763c2e9777d8bbd1594e +_eclasses_=distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 b3f874304c1bda6ffc3450ebb4ae5169 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c vcs-snapshot eab6d8533446763c2e9777d8bbd1594e _md5_=ecd3a4f0f57b828393ceb8da136725e1 diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.4 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.4 index fe6dbe3e16ed..5dc25942d212 100644 --- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.4 +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.4 @@ -1,4 +1,4 @@ -BDEPEND=dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( >=dev-python/pandas-0.17[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) test? ( dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.7.2[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.40.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] +BDEPEND=dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( >=dev-python/pandas-0.17[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) test? ( dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.8.0-r1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] DEFINED_PHASES=compile configure install prepare test unpack DESCRIPTION=Python framework for Gromacs EAPI=8 @@ -7,10 +7,10 @@ INHERIT=distutils-r1 vcs-snapshot IUSE=test python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~x86 LICENSE=GPL-3 LGPL-3 -RDEPEND=dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=dev-python/six[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/numkit[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/Becksteinlab/GromacsWrapper/archive/release-0.8.4.tar.gz -> GromacsWrapper-0.8.4.tar.gz -_eclasses_=distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c vcs-snapshot eab6d8533446763c2e9777d8bbd1594e +_eclasses_=distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 b3f874304c1bda6ffc3450ebb4ae5169 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c vcs-snapshot eab6d8533446763c2e9777d8bbd1594e _md5_=186a2e983e24b6f2de6e21319f4678d0 diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.3 b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.3 index d494885ed875..1aaf2a5afe7a 100644 --- a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.3 +++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.3 @@ -1,4 +1,4 @@ -BDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( >=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.7.2[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.40.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] +BDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( >=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.8.0-r1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] DEFINED_PHASES=compile configure install prepare test DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories EAPI=8 @@ -7,10 +7,10 @@ INHERIT=distutils-r1 pypi IUSE=test python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~amd64-linux LICENSE=GPL-2 -RDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=https://files.pythonhosted.org/packages/source/M/MDAnalysis/MDAnalysis-2.4.3.tar.gz -_eclasses_=distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 pypi 6b97d2db40ff6be180030687e6003199 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c +_eclasses_=distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 pypi 2eecb475512bc76e5ea9192a681b9e6b python-r1 b3f874304c1bda6ffc3450ebb4ae5169 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c _md5_=84dc6666e8c03adb1bb3340b1d1b52f9 diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz Binary files differindex c04ec935ea74..6a832c9306d8 100644 --- a/metadata/md5-cache/sci-chemistry/Manifest.gz +++ b/metadata/md5-cache/sci-chemistry/Manifest.gz diff --git a/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 b/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 index 576ed5d9a17e..5d1070bb697b 100644 --- a/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 +++ b/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 @@ -1,4 +1,4 @@ -BDEPEND=test? ( >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) >=dev-python/setuptools-67.7.2[python_targets_python3_10(-)?] +BDEPEND=test? ( >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?] ) python_targets_python3_10? ( dev-lang/python:3.10 ) >=dev-python/setuptools-67.8.0-r1[python_targets_python3_10(-)?] DEFINED_PHASES=compile configure install prepare test DESCRIPTION=Parameter and topology file editor and molecular mechanical simulator engine EAPI=8 @@ -7,10 +7,10 @@ INHERIT=distutils-r1 IUSE=test python_targets_python3_10 KEYWORDS=~amd64 LICENSE=LGPL-2 -RDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) +RDEPEND=python_targets_python3_10? ( dev-lang/python:3.10 ) REQUIRED_USE=|| ( python_targets_python3_10 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/ParmEd/ParmEd/archive/refs/tags/3.4.3.tar.gz -> ParmEd-3.4.3.tar.gz -_eclasses_=distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c +_eclasses_=distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 b3f874304c1bda6ffc3450ebb4ae5169 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c _md5_=9c159ea6d08a10ebaa436af52e048001 diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1 b/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1 index 027c121ac287..097ce2101450 100644 --- a/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1 +++ b/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1 @@ -13,5 +13,5 @@ RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtwidgets:5 >=sci-libs/avogadrolib RESTRICT=test SLOT=0 SRC_URI=https://github.com/OpenChemistry/avogadroapp/archive/1.95.1.tar.gz -> avogadro2-1.95.1.tar.gz https://github.com/OpenChemistry/avogadro-i18n/archive/3b8a86cc37e988b043d1503d2f11068389b0aca3.tar.gz -> avogadro2-1.95.1-i18n.tar.gz -_eclasses_=cmake 6c921d868d090cc18e142a396f66f74a desktop 021728fdc1b03b36357dbc89489e0f0d docs 7b9e167549c44efa7994614f33ba6d7a flag-o-matic ad475baa777c9978fa035216c8264a10 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 6c921d868d090cc18e142a396f66f74a desktop 021728fdc1b03b36357dbc89489e0f0d docs f4e4c22139b7811a4dbdafaede74c229 flag-o-matic ad475baa777c9978fa035216c8264a10 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=63852b6e1a0d593b6df49dc2b1b457f0 diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-1.97.0 b/metadata/md5-cache/sci-chemistry/avogadro2-1.97.0 index ffd7fec9ac83..0d5f04eb87b9 100644 --- a/metadata/md5-cache/sci-chemistry/avogadro2-1.97.0 +++ b/metadata/md5-cache/sci-chemistry/avogadro2-1.97.0 @@ -13,5 +13,5 @@ RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtwidgets:5 >=sci-libs/avogadrolib RESTRICT=test SLOT=0 SRC_URI=https://github.com/OpenChemistry/avogadroapp/archive/1.97.0.tar.gz -> avogadro2-1.97.0.tar.gz https://github.com/OpenChemistry/avogadro-i18n/archive/13c4286102373658cea48a33b86536ab5793da66.tar.gz -> avogadro2-1.97.0-i18n.tar.gz -_eclasses_=cmake 6c921d868d090cc18e142a396f66f74a desktop 021728fdc1b03b36357dbc89489e0f0d docs 7b9e167549c44efa7994614f33ba6d7a flag-o-matic ad475baa777c9978fa035216c8264a10 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 6c921d868d090cc18e142a396f66f74a desktop 021728fdc1b03b36357dbc89489e0f0d docs f4e4c22139b7811a4dbdafaede74c229 flag-o-matic ad475baa777c9978fa035216c8264a10 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=4d16d471e4fb5d4f76219007401eda51 diff --git a/metadata/md5-cache/sci-chemistry/chemex-2022.3.4 b/metadata/md5-cache/sci-chemistry/chemex-2022.3.4 index a47bd45632fc..9dc63d793916 100644 --- a/metadata/md5-cache/sci-chemistry/chemex-2022.3.4 +++ b/metadata/md5-cache/sci-chemistry/chemex-2022.3.4 @@ -1,4 +1,4 @@ -BDEPEND=test? ( python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.3.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.3.1[python_targets_python3_11(-)] ) ) python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.6.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.6.1[python_targets_python3_11(-)] ) +BDEPEND=test? ( python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.3.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.3.1[python_targets_python3_11(-)] ) ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.6.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.6.1[python_targets_python3_11(-)] ) DEFINED_PHASES=compile configure install prepare setup test DEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data @@ -8,10 +8,10 @@ INHERIT=distutils-r1 IUSE=test test python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 LICENSE=BSD -RDEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.2[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.2[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=https://github.com/gbouvignies/ChemEx/archive/refs/tags/v2022.3.4.tar.gz -> chemex-2022.3.4.tar.gz -_eclasses_=distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c +_eclasses_=distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c _md5_=dd228c801562e08a6fc5db8d56c90be2 diff --git a/metadata/md5-cache/sci-chemistry/chemex-2022.3.5 b/metadata/md5-cache/sci-chemistry/chemex-2022.3.5 index 935e9babd5ed..7998a0f6ee4a 100644 --- a/metadata/md5-cache/sci-chemistry/chemex-2022.3.5 +++ b/metadata/md5-cache/sci-chemistry/chemex-2022.3.5 @@ -1,4 +1,4 @@ -BDEPEND=test? ( python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.3.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.3.1[python_targets_python3_11(-)] ) ) python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.6.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.6.1[python_targets_python3_11(-)] ) +BDEPEND=test? ( python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.3.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.3.1[python_targets_python3_11(-)] ) ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.6.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.6.1[python_targets_python3_11(-)] ) DEFINED_PHASES=compile configure install prepare setup test DEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data @@ -8,10 +8,10 @@ INHERIT=distutils-r1 IUSE=test test python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 LICENSE=BSD -RDEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.24.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_10(-)] >=dev-python/rich-13.3.4[python_targets_python3_10(-)] >=dev-python/scipy-1.10.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.24.3[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.7[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.0.0[python_targets_python3_11(-)] >=dev-python/rich-13.3.4[python_targets_python3_11(-)] >=dev-python/scipy-1.10.1[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=https://github.com/gbouvignies/ChemEx/archive/refs/tags/v2022.3.5.tar.gz -> chemex-2022.3.5.tar.gz -_eclasses_=distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c +_eclasses_=distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c _md5_=dbb860f5a52f998720d27b1ad83813ad diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.7-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2020.7-r1 index bcaa32b562d9..2d1d60d67267 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2020.7-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.7-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_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:= ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=amd64 arm ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:= ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:= ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2020.7 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2020.7.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.7.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2020.7.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=931df6c30cadb7ae598880b2ea5e4709 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.6 b/metadata/md5-cache/sci-chemistry/gromacs-2021.6 index 85e6ab3af399..bfe1d6980b99 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.6 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.6 @@ -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_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=amd64 arm ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2021.6 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2021.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.6.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2021.6.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=28689b9a562371302c049ec71a6685e9 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.7-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2021.7-r1 index fbb3f3aa2a29..03770ad430f0 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.7-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.7-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_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2021.7 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2021.7.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.7.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2021.7.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=20fb1fb6826100ef76f561171610f5aa diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.5-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2022.5-r1 index f668e1a1d41d..a99e4bbcbd72 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2022.5-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.5-r1 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) <sci-chemistry/dssp-4 +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) <sci-chemistry/dssp-4 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2022.5 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2022.5.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.5.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2022.5.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=9b89cd13d693a24c35ab21d8550f657e diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.6 b/metadata/md5-cache/sci-chemistry/gromacs-2022.6 index 396da9c6d546..bfc9449de970 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2022.6 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.6 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) <sci-chemistry/dssp-4 +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) <sci-chemistry/dssp-4 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2022.6 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2022.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.6.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2022.6.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=9b89cd13d693a24c35ab21d8550f657e diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 index cfcf3f999101..d8189ea6bffd 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-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,9 +7,9 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) PROPERTIES=live -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) <sci-chemistry/dssp-4 +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) <sci-chemistry/dssp-4 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2022.9999 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 flag-o-matic ad475baa777c9978fa035216c8264a10 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=9b89cd13d693a24c35ab21d8550f657e diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023.1-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2023.1-r1 index 8b2bce3d0e45..b1fb0f8f1024 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2023.1-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2023.1-r1 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2023.1 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2023.1.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2023.1.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2023.1.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=9e2b7831a5ea678eef3b09609c78ce39 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023.2 b/metadata/md5-cache/sci-chemistry/gromacs-2023.2 index ffbd7eb735fb..607729f70648 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2023.2 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2023.2 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2023.2 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2023.2.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2023.2.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2023.2.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=9e2b7831a5ea678eef3b09609c78ce39 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 index 96c9f9bb214d..491267271f01 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 @@ -1,4 +1,4 @@ -BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,9 +7,9 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) PROPERTIES=live -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/2023.9999 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 flag-o-matic ad475baa777c9978fa035216c8264a10 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=9e2b7831a5ea678eef3b09609c78ce39 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999 index 6d5ecbe706fa..8c369e1484aa 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-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] +BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack DESCRIPTION=The ultimate molecular dynamics simulation package EAPI=8 @@ -7,9 +7,9 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD ) PROPERTIES=live -RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0/9999 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 flag-o-matic ad475baa777c9978fa035216c8264a10 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a cuda 13d76baf0dc95e560610c6b7dfa79db4 distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=9e2b7831a5ea678eef3b09609c78ce39 diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 index 4f2bd9474d7f..c086023e5889 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=dev-python/cython[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( dev-python/astunparse[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/astor[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pandas[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pytables[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pyparsing[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/networkx[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) >=dev-python/setuptools-67.7.2[python_targets_python3_10(-)?,python_targets_python3_11(-)?] +BDEPEND=dev-python/cython[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( dev-python/astunparse[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/astor[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pandas[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pytables[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pyparsing[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/networkx[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) >=dev-python/setuptools-67.8.0-r1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] DEFINED_PHASES=compile configure install prepare test DEPEND=dev-python/astunparse[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/astor[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pandas[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pytables[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pyparsing[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/networkx[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] test? ( dev-python/ipykernel[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/jupyter-client[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/nbformat[python_targets_python3_10(-)?,python_targets_python3_11(-)?] sci-libs/scikit-learn[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) DESCRIPTION=Read, write and analyze MD trajectories with only a few lines of Python code @@ -8,10 +8,10 @@ INHERIT=distutils-r1 pypi IUSE=test python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=LGPL-2.1+ -RDEPEND=dev-python/astunparse[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/astor[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pandas[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pytables[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pyparsing[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/networkx[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=dev-python/astunparse[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/astor[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pandas[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pytables[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pyparsing[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/networkx[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://files.pythonhosted.org/packages/source/m/mdtraj/mdtraj-1.9.7.tar.gz -_eclasses_=distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 pypi 6b97d2db40ff6be180030687e6003199 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c +_eclasses_=distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 pypi 2eecb475512bc76e5ea9192a681b9e6b python-r1 b3f874304c1bda6ffc3450ebb4ae5169 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c _md5_=7ece2db928e9e51c33a753ce1f2961b5 diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.25 b/metadata/md5-cache/sci-chemistry/modeller-9.25 index 570d6589e613..a31f4492d8d2 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_10? ( >=dev-lang/python-3.10.12:3.10 ) +BDEPEND=python_targets_python3_10? ( dev-lang/python:3.10 ) DEFINED_PHASES=compile config configure install postinst postrm prepare setup test DEPEND=>=dev-lang/swig-1.3 DESCRIPTION=Homology or comparative modeling of protein three-dimensional structures @@ -8,10 +8,10 @@ INHERIT=distutils-r1 IUSE=doc examples python_targets_python3_10 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=modeller -RDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) +RDEPEND=python_targets_python3_10? ( dev-lang/python:3.10 ) REQUIRED_USE=|| ( python_targets_python3_10 ) RESTRICT=mirror SLOT=0 SRC_URI=https://salilab.org/modeller/9.25/modeller-9.25.tar.gz -_eclasses_=distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c +_eclasses_=distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 b3f874304c1bda6ffc3450ebb4ae5169 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c _md5_=1c68117b2425090a258fc04144469ec6 diff --git a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 index 13d7b6dad802..eeebe221089f 100644 --- a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 +++ b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 @@ -1,6 +1,6 @@ BDEPEND=doc? ( app-doc/doxygen ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 test? ( x11-base/xorg-server[xvfb] x11-apps/xhost ) DEFINED_PHASES=compile configure install prepare test -DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) net-libs/cppzmq:0= ) +DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) net-libs/cppzmq:0= ) DESCRIPTION=Abstract, manage and coordinate execution of tasks EAPI=7 HOMEPAGE=https://www.openchemistry.org/projects/molequeue/ @@ -8,10 +8,10 @@ INHERIT=cmake python-r1 virtualx IUSE=+client doc server test +zeromq python_targets_python3_10 python_targets_python3_11 test KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=BSD -RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) 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_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) net-libs/cppzmq:0= ) REQUIRED_USE=server? ( client ) test? ( server ) zeromq? ( || ( python_targets_python3_10 python_targets_python3_11 ) ) RESTRICT=test SLOT=0 SRC_URI=https://github.com/OpenChemistry/molequeue/archive/0.9.0.tar.gz -> molequeue-0.9.0.tar.gz -_eclasses_=cmake 6c921d868d090cc18e142a396f66f74a eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c virtualx 817571665ee28575da44ee08135089e5 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 6c921d868d090cc18e142a396f66f74a eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 b3f874304c1bda6ffc3450ebb4ae5169 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c virtualx 817571665ee28575da44ee08135089e5 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=2acaaa36499f3c8d72f2f8be2a487a89 diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.9 b/metadata/md5-cache/sci-chemistry/nmrglue-0.9 index cdbced40cbf6..26207889e15e 100644 --- a/metadata/md5-cache/sci-chemistry/nmrglue-0.9 +++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.9 @@ -1,4 +1,4 @@ -BDEPEND=test? ( app-shells/tcsh ) test? ( dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/nose-1.3.7_p20221026[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) doc? ( || ( ( >=dev-lang/python-3.11.4:3.11 >=dev-python/sphinx-5.3.0[python_targets_python3_11(-)] dev-python/sphinx-rtd-theme[python_targets_python3_11(-)] dev-python/numpydoc[python_targets_python3_11(-)] ) ( >=dev-lang/python-3.10.12:3.10 >=dev-python/sphinx-5.3.0[python_targets_python3_10(-)] dev-python/sphinx-rtd-theme[python_targets_python3_10(-)] dev-python/numpydoc[python_targets_python3_10(-)] ) ) ) python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.7.2[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.40.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] +BDEPEND=test? ( app-shells/tcsh ) test? ( dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/nose-1.3.7_p20221026[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) doc? ( || ( ( dev-lang/python:3.11 >=dev-python/sphinx-5.3.0[python_targets_python3_11(-)] dev-python/sphinx-rtd-theme[python_targets_python3_11(-)] dev-python/numpydoc[python_targets_python3_11(-)] ) ( dev-lang/python:3.10 >=dev-python/sphinx-5.3.0[python_targets_python3_10(-)] dev-python/sphinx-rtd-theme[python_targets_python3_10(-)] dev-python/numpydoc[python_targets_python3_10(-)] ) ) ) python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.8.0-r1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] DEFINED_PHASES=compile configure install prepare test DEPEND=dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] DESCRIPTION=A module for working with NMR data in Python @@ -8,10 +8,10 @@ INHERIT=distutils-r1 IUSE=test doc python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=BSD -RDEPEND=dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=dev-python/matplotlib[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/scipy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=https://github.com/jjhelmus/nmrglue/archive/v0.9.tar.gz -> nmrglue-0.9.tar.gz -_eclasses_=distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c +_eclasses_=distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 b3f874304c1bda6ffc3450ebb4ae5169 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c _md5_=35402f3cad87acaf5206a404dff8d4ae diff --git a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 index aef8748b7603..01f9bf7104a4 100644 --- a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 +++ b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 @@ -1,6 +1,6 @@ BDEPEND=dev-lang/perl doc? ( app-doc/doxygen dev-texlive/texlive-latex ) perl? ( >=dev-lang/swig-2 ) python? ( >=dev-lang/swig-2 ) test? ( dev-lang/python ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst postrm prepare pretend setup test -DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl ) +DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl ) DESCRIPTION=Interconverts file formats used in molecular modeling EAPI=8 HOMEPAGE=https://openbabel.org/ @@ -8,10 +8,10 @@ INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwi IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11 KEYWORDS=amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~ppc-macos LICENSE=GPL-2 -RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) ) 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_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl ) REQUIRED_USE=python? ( || ( python_targets_python3_10 python_targets_python3_11 ) ) test? ( inchi json !minimal wxwidgets ) RESTRICT=!test? ( test ) SLOT=0/7.0.0 SRC_URI=https://github.com/openbabel/openbabel/archive/08e23f39b0cc39b4eebd937a5a2ffc1a7bac3e1b.tar.gz -> openbabel-3.1.1_p20210225.tar.gz https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png https://openbabel.org/OBTitle.jpg -> openbabel.jpg -_eclasses_=cmake 6c921d868d090cc18e142a396f66f74a desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 6c921d868d090cc18e142a396f66f74a desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 b3f874304c1bda6ffc3450ebb4ae5169 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=41842cb4d1179218c4eab2269054b02f diff --git a/metadata/md5-cache/sci-chemistry/openbabel-9999 b/metadata/md5-cache/sci-chemistry/openbabel-9999 index 4fc92aa556bb..4515cc40b927 100644 --- a/metadata/md5-cache/sci-chemistry/openbabel-9999 +++ b/metadata/md5-cache/sci-chemistry/openbabel-9999 @@ -1,6 +1,6 @@ BDEPEND=dev-lang/perl doc? ( app-doc/doxygen dev-texlive/texlive-latex ) perl? ( >=dev-lang/swig-2 ) python? ( >=dev-lang/swig-2 ) test? ( dev-lang/python ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] DEFINED_PHASES=compile configure install postinst postrm prepare pretend setup test unpack -DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl ) +DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl ) DESCRIPTION=Interconverts file formats used in molecular modeling EAPI=8 HOMEPAGE=https://openbabel.org/ @@ -8,10 +8,10 @@ INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwi IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11 LICENSE=GPL-2 PROPERTIES=live -RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) ) 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_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl ) REQUIRED_USE=python? ( || ( python_targets_python3_10 python_targets_python3_11 ) ) test? ( inchi json !minimal wxwidgets ) RESTRICT=!test? ( test ) SLOT=0/7.0.0 SRC_URI=https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png https://openbabel.org/OBTitle.jpg -> openbabel.jpg -_eclasses_=cmake 6c921d868d090cc18e142a396f66f74a desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic ad475baa777c9978fa035216c8264a10 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 6c921d868d090cc18e142a396f66f74a desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic ad475baa777c9978fa035216c8264a10 git-r3 27e13c09a4c7e4c78ac812f74727e676 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 b3f874304c1bda6ffc3450ebb4ae5169 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=e53077b973bbdce4a2cec3f011cd7c33 diff --git a/metadata/md5-cache/sci-chemistry/propka-3.4.0 b/metadata/md5-cache/sci-chemistry/propka-3.4.0 index 1645aa6d7c6a..d4dcf4d53a12 100644 --- a/metadata/md5-cache/sci-chemistry/propka-3.4.0 +++ b/metadata/md5-cache/sci-chemistry/propka-3.4.0 @@ -1,4 +1,4 @@ -BDEPEND=test? ( dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.7.2[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.40.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?] +BDEPEND=test? ( dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.3.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) >=dev-python/gpep517-13[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-67.8.0-r1[python_targets_python3_10(-)?,python_targets_python3_11(-)?] DEFINED_PHASES=compile configure install prepare test DESCRIPTION=pKa-value prediction of ionizable groups in protein and protein-ligand complexes EAPI=8 @@ -7,10 +7,10 @@ INHERIT=distutils-r1 IUSE=test python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=LGPL-2.1 -RDEPEND=dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/jensengroup/propka/archive/refs/tags/v3.4.0.tar.gz -> propka-3.4.0.gh.tar.gz -_eclasses_=distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c +_eclasses_=distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 b3f874304c1bda6ffc3450ebb4ae5169 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c _md5_=df9c2734ddc4d3199b2a42247a6a9496 diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2 index 554bc55380cb..cc7b27d01a29 100644 --- a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2 +++ b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2 @@ -1,4 +1,4 @@ -BDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +BDEPEND=python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) DEFINED_PHASES=compile configure install postinst postrm preinst prepare test DEPEND=|| ( dev-cpp/msgpack-cxx dev-libs/msgpack[cxx(-)] ) dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/PyQt5[opengl,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pmw[python_targets_python3_10(-)?,python_targets_python3_11(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) DESCRIPTION=A Python-extensible molecular graphics system @@ -9,9 +9,9 @@ INHERIT=desktop flag-o-matic xdg distutils-r1 IUSE=+netcdf web python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=BitstreamVera BSD freedist HPND OFL public-domain UoI-NCSA -RDEPEND=|| ( dev-cpp/msgpack-cxx dev-libs/msgpack[cxx(-)] ) dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/PyQt5[opengl,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pmw[python_targets_python3_10(-)?,python_targets_python3_11(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) sci-chemistry/chemical-mime-data python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=|| ( dev-cpp/msgpack-cxx dev-libs/msgpack[cxx(-)] ) dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/PyQt5[opengl,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pmw[python_targets_python3_10(-)?,python_targets_python3_11(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) sci-chemistry/chemical-mime-data python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) SLOT=0 SRC_URI=https://dev.gentoo.org/~pacho/pymol/pymol-1.8.4.0.png.xz https://github.com/schrodinger/pymol-open-source/archive/v2.5.0.tar.gz -> pymol-2.5.0.tar.gz -_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 b3f874304c1bda6ffc3450ebb4ae5169 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=8bfd0acc1452e7e8fad609d828057dcd diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r3 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r3 index 7c305329fdd0..067fb0cfe10a 100644 --- a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r3 +++ b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r3 @@ -1,4 +1,4 @@ -BDEPEND=python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +BDEPEND=python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) DEFINED_PHASES=compile configure install postinst postrm preinst prepare test DEPEND=dev-cpp/msgpack-cxx dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/PyQt5[opengl,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pmw[python_targets_python3_10(-)?,python_targets_python3_11(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) DESCRIPTION=A Python-extensible molecular graphics system @@ -9,9 +9,9 @@ INHERIT=desktop flag-o-matic xdg distutils-r1 IUSE=+netcdf web python_targets_python3_10 python_targets_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=BitstreamVera BSD freedist HPND OFL public-domain UoI-NCSA -RDEPEND=dev-cpp/msgpack-cxx dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/PyQt5[opengl,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pmw[python_targets_python3_10(-)?,python_targets_python3_11(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) sci-chemistry/chemical-mime-data python_targets_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) +RDEPEND=dev-cpp/msgpack-cxx dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/PyQt5[opengl,python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?] dev-python/pmw[python_targets_python3_10(-)?,python_targets_python3_11(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) sci-chemistry/chemical-mime-data python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) SLOT=0 SRC_URI=https://dev.gentoo.org/~pacho/pymol/pymol-1.8.4.0.png.xz https://github.com/schrodinger/pymol-open-source/archive/v2.5.0.tar.gz -> pymol-2.5.0.tar.gz -_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d distutils-r1 1c9a447ab8b90199e719e0e3a9a5cb00 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 3c6cd0f418ba702c186a9865b85e704d python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d distutils-r1 b7cd5736a595ec0df9b164d5aec6f228 flag-o-matic ad475baa777c9978fa035216c8264a10 multibuild 30dbf3c5a31db09a19f31ad0a68f2405 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 b3f874304c1bda6ffc3450ebb4ae5169 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=32dc073b8ed42ce2e9a4e15ea61d55fc diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 index 5bf9679f3e00..a94ce694a6eb 100644 --- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 @@ -1,6 +1,6 @@ BDEPEND=virtual/pkgconfig dev-lang/swig DEFINED_PHASES=compile configure install nofetch postinst postrm preinst prepare setup -DEPEND=python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/numpy[python_targets_python3_11(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) +DEPEND=python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/numpy[python_targets_python3_11(-)] ) >=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/ @@ -9,10 +9,10 @@ INHERIT=cuda desktop prefix python-single-r1 toolchain-funcs xdg IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=vmd -RDEPEND=python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/numpy[python_targets_python3_11(-)] ) >=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_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/numpy[python_targets_python3_11(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/chemical-mime-data sci-chemistry/surf x11-misc/xdg-utils x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray ) REQUIRED_USE=^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=fetch SLOT=0 SRC_URI=vmd-1.9.4a57.src.tar.gz fetch+https://dev.gentoo.org/~pacho/vmd/vmd-1.9.4_alpha57-gentoo-patches.tar.xz -_eclasses_=cuda 13d76baf0dc95e560610c6b7dfa79db4 desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic ad475baa777c9978fa035216c8264a10 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 prefix eab3c99d77fe00506c109c8a736186f7 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cuda 13d76baf0dc95e560610c6b7dfa79db4 desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic ad475baa777c9978fa035216c8264a10 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 prefix eab3c99d77fe00506c109c8a736186f7 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=1c922abe9e5c8d4e07ecb483261843c3 diff --git a/metadata/md5-cache/sci-chemistry/votca-2022 b/metadata/md5-cache/sci-chemistry/votca-2022 index b0d85473bce6..02db69ac78b8 100644 --- a/metadata/md5-cache/sci-chemistry/votca-2022 +++ b/metadata/md5-cache/sci-chemistry/votca-2022 @@ -1,6 +1,6 @@ BDEPEND=virtual/pkgconfig >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare setup test -DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 +DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( dev-lang/python:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 DESCRIPTION=Versatile Object-oriented Toolkit for Coarse-graining Applications EAPI=7 HOMEPAGE=https://www.votca.org/ @@ -8,10 +8,10 @@ INHERIT=bash-completion-r1 cmake python-single-r1 IUSE=+gromacs test +python_single_target_python3_10 KEYWORDS=amd64 ~x86 ~amd64-linux LICENSE=Apache-2.0 -RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 +RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( dev-lang/python:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 REQUIRED_USE=^^ ( python_single_target_python3_10 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/votca/votca/archive/v2022.tar.gz -> votca-2022.tar.gz -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic ad475baa777c9978fa035216c8264a10 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic ad475baa777c9978fa035216c8264a10 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=90500ca97973846d4fd670f0c29932ac diff --git a/metadata/md5-cache/sci-chemistry/votca-2022.1 b/metadata/md5-cache/sci-chemistry/votca-2022.1 index 0e953534d3c4..e3504f4c5dfe 100644 --- a/metadata/md5-cache/sci-chemistry/votca-2022.1 +++ b/metadata/md5-cache/sci-chemistry/votca-2022.1 @@ -1,6 +1,6 @@ BDEPEND=virtual/pkgconfig >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare setup test -DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 +DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 DESCRIPTION=Versatile Object-oriented Toolkit for Coarse-graining Applications EAPI=7 HOMEPAGE=https://www.votca.org/ @@ -8,10 +8,10 @@ INHERIT=bash-completion-r1 cmake python-single-r1 IUSE=+gromacs test python_single_target_python3_10 python_single_target_python3_11 KEYWORDS=~amd64 ~x86 ~amd64-linux LICENSE=Apache-2.0 -RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.4:3.11 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 +RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 REQUIRED_USE=^^ ( python_single_target_python3_10 python_single_target_python3_11 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/votca/votca/archive/v2022.1.tar.gz -> votca-2022.1.tar.gz -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic ad475baa777c9978fa035216c8264a10 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic ad475baa777c9978fa035216c8264a10 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=f241004ff74b0729ca815c59c824e20a diff --git a/metadata/md5-cache/sci-chemistry/votca-9999 b/metadata/md5-cache/sci-chemistry/votca-9999 index c56ad1c64ea2..92b5ec53b2e2 100644 --- a/metadata/md5-cache/sci-chemistry/votca-9999 +++ b/metadata/md5-cache/sci-chemistry/votca-9999 @@ -1,6 +1,6 @@ BDEPEND=virtual/pkgconfig >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl] DEFINED_PHASES=compile configure install postinst prepare setup test unpack -DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 +DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( dev-lang/python:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 DESCRIPTION=Versatile Object-oriented Toolkit for Coarse-graining Applications EAPI=7 HOMEPAGE=https://www.votca.org/ @@ -8,9 +8,9 @@ INHERIT=bash-completion-r1 cmake python-single-r1 git-r3 IUSE=+gromacs test +python_single_target_python3_10 LICENSE=Apache-2.0 PROPERTIES=live -RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( >=dev-lang/python-3.10.12:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 +RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_10? ( dev-lang/python:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 REQUIRED_USE=^^ ( python_single_target_python3_10 ) RESTRICT=!test? ( test ) SLOT=0 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic ad475baa777c9978fa035216c8264a10 git-r3 27e13c09a4c7e4c78ac812f74727e676 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 a013e16d5d896b3d8be68dd2a0e846ea toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 6c921d868d090cc18e142a396f66f74a eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic ad475baa777c9978fa035216c8264a10 git-r3 27e13c09a4c7e4c78ac812f74727e676 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 76050953ad5b70d7e09a6ca55558db92 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 7661dc585f75dd1f81eccefe37bef093 toolchain-funcs 513c31b3346458ed1f3878b57da6d61c xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=4652fac7d0d919a31b5394224c0f9960 |