diff options
Diffstat (limited to 'metadata/md5-cache/sci-chemistry')
81 files changed, 216 insertions, 267 deletions
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.4 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.4 index 8beffe358588..e6ce635c5489 100644 --- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.4 +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.4 @@ -12,5 +12,5 @@ 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 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 8a28fa6d3e3bc96ff8a7eff2badbe71f python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 vcs-snapshot eab6d8533446763c2e9777d8bbd1594e +_eclasses_=distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 c1fc393cd1e72f093b4838e29d27918c python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 vcs-snapshot 3d327d546f76e4c2054573ff0d78fad2 _md5_=186a2e983e24b6f2de6e21319f4678d0 diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.5 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.5 index 645c65bce1aa..61eb046f9122 100644 --- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.5 +++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.5 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) RESTRICT=!test? ( test ) SLOT=0 SRC_URI=https://github.com/Becksteinlab/GromacsWrapper/archive/release-0.8.5.tar.gz -> GromacsWrapper-0.8.5.tar.gz -_eclasses_=distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 8a28fa6d3e3bc96ff8a7eff2badbe71f python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 vcs-snapshot eab6d8533446763c2e9777d8bbd1594e +_eclasses_=distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 c1fc393cd1e72f093b4838e29d27918c python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 vcs-snapshot 3d327d546f76e4c2054573ff0d78fad2 _md5_=186a2e983e24b6f2de6e21319f4678d0 diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.6.1 b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.6.1 index c3a0e93f7be2..ac84a4a5981b 100644 --- a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.6.1 +++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.6.1 @@ -1,16 +1,16 @@ -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-7.4.4[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/gpep517-15[python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-69.0.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?] +BDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] test? ( >=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/pytest-7.4.4[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] ) python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) python_targets_python3_12? ( dev-lang/python:3.12 ) >=dev-python/gpep517-15[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/setuptools-69.0.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] DEFINED_PHASES=compile configure install prepare test DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories EAPI=8 HOMEPAGE=https://www.mdanalysis.org INHERIT=distutils-r1 pypi -IUSE=test python_targets_python3_10 python_targets_python3_11 +IUSE=test python_targets_python3_10 python_targets_python3_11 python_targets_python3_12 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 ) python_targets_python3_11? ( dev-lang/python:3.11 ) -REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 ) +RDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=sci-biology/biopython-1.71[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/networkx-1.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/joblib-0.12[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] dev-python/threadpoolctl[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) python_targets_python3_12? ( dev-lang/python:3.12 ) +REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 python_targets_python3_12 ) RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=https://files.pythonhosted.org/packages/source/M/MDAnalysis/MDAnalysis-2.6.1.tar.gz -_eclasses_=distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 pypi 2eecb475512bc76e5ea9192a681b9e6b python-r1 8a28fa6d3e3bc96ff8a7eff2badbe71f python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 -_md5_=84dc6666e8c03adb1bb3340b1d1b52f9 +_eclasses_=distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 pypi 2eecb475512bc76e5ea9192a681b9e6b python-r1 c1fc393cd1e72f093b4838e29d27918c python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 +_md5_=9956ad98bf5fb15bc52b3c20913235f2 diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz Binary files differindex 08f823c551da..6474d9a1ba24 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 ce79b06e84a4..8afc5777a5be 100644 --- a/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 +++ b/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 @@ -12,5 +12,5 @@ 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 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 8a28fa6d3e3bc96ff8a7eff2badbe71f python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 c1fc393cd1e72f093b4838e29d27918c python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=9c159ea6d08a10ebaa436af52e048001 diff --git a/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 b/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 deleted file mode 100644 index 77ac403a5493..000000000000 --- a/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 +++ /dev/null @@ -1,15 +0,0 @@ -DEFINED_PHASES=compile install nofetch prepare setup -DEPEND=app-shells/tcsh virtual/fortran -DESCRIPTION=Program suite in this distribution calculates restraint violations -EAPI=6 -HOMEPAGE=http://www.biochem.ucl.ac.uk/~roman/procheck/procheck.html -INHERIT=fortran-2 toolchain-funcs -IUSE=doc examples -KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux -LICENSE=procheck -RDEPEND=sci-chemistry/procheck virtual/fortran -RESTRICT=fetch -SLOT=0 -SRC_URI=aqua3.2.tar.gz doc? ( aqua-3.2-nmr_manual.tar.gz ) -_eclasses_=fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 -_md5_=448c80984b2fce68c6d5bef34cf480bc diff --git a/metadata/md5-cache/sci-chemistry/autodock-4.2.6 b/metadata/md5-cache/sci-chemistry/autodock-4.2.6 index 6166f571af2a..83baf7f46509 100644 --- a/metadata/md5-cache/sci-chemistry/autodock-4.2.6 +++ b/metadata/md5-cache/sci-chemistry/autodock-4.2.6 @@ -1,4 +1,4 @@ -BDEPEND=>=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 +BDEPEND=>=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 DEFINED_PHASES=compile configure install postinst prepare test DESCRIPTION=A suite of automated docking tools EAPI=7 @@ -10,5 +10,5 @@ LICENSE=GPL-2 RESTRICT=test SLOT=0 SRC_URI=http://autodock.scripps.edu/downloads/autodock-registration/tars/dist426/autodocksuite-4.2.6-src.tar.gz -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 readme.gentoo-r1 b8c7a61664027641d79dcfc04bd366f4 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=043b1d517858236ad58fab99602078ac diff --git a/metadata/md5-cache/sci-chemistry/autodock-4.2.6-r1 b/metadata/md5-cache/sci-chemistry/autodock-4.2.6-r1 index 0f22d4d4cc60..989d6bf189a4 100644 --- a/metadata/md5-cache/sci-chemistry/autodock-4.2.6-r1 +++ b/metadata/md5-cache/sci-chemistry/autodock-4.2.6-r1 @@ -1,4 +1,4 @@ -BDEPEND=>=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 +BDEPEND=>=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 DEFINED_PHASES=compile configure install postinst prepare DESCRIPTION=A suite of automated docking tools EAPI=8 @@ -10,5 +10,5 @@ LICENSE=GPL-2 RESTRICT=test SLOT=0 SRC_URI=https://autodock.scripps.edu/downloads/autodock-registration/tars/dist426/autodocksuite-4.2.6-src.tar.gz https://dev.gentoo.org/~andrewammerlaan/autodock-4.2.6-drop-register-keyword.patch -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 readme.gentoo-r1 b8c7a61664027641d79dcfc04bd366f4 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=933bacc9d6fe5c084e6ffbde3e590156 diff --git a/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1 b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1 index ac5a87e91b48..eaff0e485a55 100644 --- a/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1 +++ b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2-r1 @@ -10,5 +10,5 @@ LICENSE=Apache-2.0 RDEPEND=dev-libs/boost:= SLOT=0 SRC_URI=http://vina.scripps.edu/download/autodock_vina_1_1_2.tgz -_eclasses_=flag-o-matic d309b9713dfc18e754cba88d3ba69653 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=flag-o-matic e503ea5acc20410237ba33ec3f7c857d multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=5ccb5cb6cfb340eedaa0499968160c30 diff --git a/metadata/md5-cache/sci-chemistry/autodock_vina-1.2.5 b/metadata/md5-cache/sci-chemistry/autodock_vina-1.2.5 index e3df4007225d..1dcf666dbb1d 100644 --- a/metadata/md5-cache/sci-chemistry/autodock_vina-1.2.5 +++ b/metadata/md5-cache/sci-chemistry/autodock_vina-1.2.5 @@ -5,10 +5,10 @@ EAPI=7 HOMEPAGE=http://vina.scripps.edu/ INHERIT=flag-o-matic toolchain-funcs IUSE=debug -KEYWORDS=~amd64 ~x86 +KEYWORDS=amd64 ~x86 LICENSE=Apache-2.0 RDEPEND=dev-libs/boost:= SLOT=0 SRC_URI=https://github.com/ccsb-scripps/AutoDock-Vina/archive/refs/tags/v1.2.5.tar.gz -> autodock_vina-1.2.5.tar.gz -_eclasses_=flag-o-matic d309b9713dfc18e754cba88d3ba69653 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 -_md5_=3cbd178d2cc1b60782c16cad5fc843c5 +_eclasses_=flag-o-matic e503ea5acc20410237ba33ec3f7c857d multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 +_md5_=1deb03fede1c593ae7f91f1b9f7448ba diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1 b/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1 index bb5ef4977935..5e83beaff097 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 c7c9a62d6232cac66d4ea32d575c3e7c desktop 021728fdc1b03b36357dbc89489e0f0d docs 7f3c0d47338743498c69f1887a139f57 flag-o-matic d309b9713dfc18e754cba88d3ba69653 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 258a4691fd43b8cd5814cb1acbb3c7df desktop 021728fdc1b03b36357dbc89489e0f0d docs 7f3c0d47338743498c69f1887a139f57 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 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 0a2b02ecc8bc..0a0bd0af582d 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 c7c9a62d6232cac66d4ea32d575c3e7c desktop 021728fdc1b03b36357dbc89489e0f0d docs 7f3c0d47338743498c69f1887a139f57 flag-o-matic d309b9713dfc18e754cba88d3ba69653 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 258a4691fd43b8cd5814cb1acbb3c7df desktop 021728fdc1b03b36357dbc89489e0f0d docs 7f3c0d47338743498c69f1887a139f57 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=4d16d471e4fb5d4f76219007401eda51 diff --git a/metadata/md5-cache/sci-chemistry/chemex-2022.3.6 b/metadata/md5-cache/sci-chemistry/chemex-2022.3.6 deleted file mode 100644 index 61b498155230..000000000000 --- a/metadata/md5-cache/sci-chemistry/chemex-2022.3.6 +++ /dev/null @@ -1,17 +0,0 @@ -BDEPEND=test? ( python_single_target_python3_10? ( >=dev-python/cachetools-5.3.1[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.1[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.25.0[python_targets_python3_10(-)] >=dev-python/pydantic-2.0.1[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.1.1[python_targets_python3_10(-)] >=dev-python/rich-13.4.2[python_targets_python3_10(-)] >=dev-python/scipy-1.9.3[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/cachetools-5.3.1[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.1[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.25.0[python_targets_python3_11(-)] >=dev-python/pydantic-2.0.1[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.1.1[python_targets_python3_11(-)] >=dev-python/rich-13.4.2[python_targets_python3_11(-)] >=dev-python/scipy-1.9.3[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.4.4[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.4.4[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/gpep517-15[python_targets_python3_10(-)] >=dev-python/pdm-backend-2.1.8[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-15[python_targets_python3_11(-)] >=dev-python/pdm-backend-2.1.8[python_targets_python3_11(-)] ) -DEFINED_PHASES=compile configure install prepare setup test -DEPEND=python_single_target_python3_10? ( >=dev-python/cachetools-5.3.1[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.1[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.25.0[python_targets_python3_10(-)] >=dev-python/pydantic-2.0.1[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.1.1[python_targets_python3_10(-)] >=dev-python/rich-13.4.2[python_targets_python3_10(-)] >=dev-python/scipy-1.9.3[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/cachetools-5.3.1[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.1[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.25.0[python_targets_python3_11(-)] >=dev-python/pydantic-2.0.1[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.1.1[python_targets_python3_11(-)] >=dev-python/rich-13.4.2[python_targets_python3_11(-)] >=dev-python/scipy-1.9.3[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) -DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data -EAPI=8 -HOMEPAGE=https://github.com/gbouvignies/chemex -INHERIT=distutils-r1 -IUSE=test test python_single_target_python3_10 python_single_target_python3_11 -KEYWORDS=~amd64 -LICENSE=BSD -RDEPEND=python_single_target_python3_10? ( >=dev-python/cachetools-5.3.1[python_targets_python3_10(-)] >=dev-python/lmfit-1.2.1[python_targets_python3_10(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_10(-)] >=dev-python/numpy-1.25.0[python_targets_python3_10(-)] >=dev-python/pydantic-2.0.1[python_targets_python3_10(-)] >=dev-python/rapidfuzz-3.1.1[python_targets_python3_10(-)] >=dev-python/rich-13.4.2[python_targets_python3_10(-)] >=dev-python/scipy-1.9.3[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/cachetools-5.3.1[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.1[python_targets_python3_11(-)] >=dev-python/matplotlib-3.7.1[python_targets_python3_11(-)] >=dev-python/numpy-1.25.0[python_targets_python3_11(-)] >=dev-python/pydantic-2.0.1[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.1.1[python_targets_python3_11(-)] >=dev-python/rich-13.4.2[python_targets_python3_11(-)] >=dev-python/scipy-1.9.3[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/2022.3.6.tar.gz -> chemex-2022.3.6.tar.gz -_eclasses_=distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 -_md5_=af51d45d9331818222891465aa44fac4 diff --git a/metadata/md5-cache/sci-chemistry/chemex-2024.02.16 b/metadata/md5-cache/sci-chemistry/chemex-2024.02.16 deleted file mode 100644 index d9cc18d34a57..000000000000 --- a/metadata/md5-cache/sci-chemistry/chemex-2024.02.16 +++ /dev/null @@ -1,17 +0,0 @@ -BDEPEND=test? ( python_single_target_python3_11? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.2[python_targets_python3_11(-)] >=dev-python/emcee-3.1.4[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_11(-)] >=dev-python/matplotlib-3.8.0[python_targets_python3_11(-)] >=dev-python/numpy-1.26.1[python_targets_python3_11(-)] >=dev-python/pydantic-2.4.2[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.4.0[python_targets_python3_11(-)] >=dev-python/rich-13.6.0[python_targets_python3_11(-)] >=dev-python/scipy-1.11.3[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_12(-)] >=dev-python/cachetools-5.3.2[python_targets_python3_12(-)] >=dev-python/emcee-3.1.4[python_targets_python3_12(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_12(-)] >=dev-python/matplotlib-3.8.0[python_targets_python3_12(-)] >=dev-python/numpy-1.26.1[python_targets_python3_12(-)] >=dev-python/pydantic-2.4.2[python_targets_python3_12(-)] >=dev-python/rapidfuzz-3.4.0[python_targets_python3_12(-)] >=dev-python/rich-13.6.0[python_targets_python3_12(-)] >=dev-python/scipy-1.11.3[python_targets_python3_12(-)] >=dev-python/tomli-2.0.1[python_targets_python3_12(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.4.4[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/pytest-7.4.4[python_targets_python3_12(-)] ) ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) python_single_target_python3_11? ( >=dev-python/gpep517-15[python_targets_python3_11(-)] >=dev-python/pdm-backend-2.1.8[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/gpep517-15[python_targets_python3_12(-)] >=dev-python/pdm-backend-2.1.8[python_targets_python3_12(-)] ) -DEFINED_PHASES=compile configure install prepare setup test -DEPEND=python_single_target_python3_11? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.2[python_targets_python3_11(-)] >=dev-python/emcee-3.1.4[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_11(-)] >=dev-python/matplotlib-3.8.0[python_targets_python3_11(-)] >=dev-python/numpy-1.26.1[python_targets_python3_11(-)] >=dev-python/pydantic-2.4.2[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.4.0[python_targets_python3_11(-)] >=dev-python/rich-13.6.0[python_targets_python3_11(-)] >=dev-python/scipy-1.11.3[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_12(-)] >=dev-python/cachetools-5.3.2[python_targets_python3_12(-)] >=dev-python/emcee-3.1.4[python_targets_python3_12(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_12(-)] >=dev-python/matplotlib-3.8.0[python_targets_python3_12(-)] >=dev-python/numpy-1.26.1[python_targets_python3_12(-)] >=dev-python/pydantic-2.4.2[python_targets_python3_12(-)] >=dev-python/rapidfuzz-3.4.0[python_targets_python3_12(-)] >=dev-python/rich-13.6.0[python_targets_python3_12(-)] >=dev-python/scipy-1.11.3[python_targets_python3_12(-)] >=dev-python/tomli-2.0.1[python_targets_python3_12(-)] ) -DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data -EAPI=8 -HOMEPAGE=https://github.com/gbouvignies/chemex -INHERIT=distutils-r1 -IUSE=test test python_single_target_python3_11 python_single_target_python3_12 -KEYWORDS=~amd64 -LICENSE=BSD -RDEPEND=python_single_target_python3_11? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.2[python_targets_python3_11(-)] >=dev-python/emcee-3.1.4[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_11(-)] >=dev-python/matplotlib-3.8.0[python_targets_python3_11(-)] >=dev-python/numpy-1.26.1[python_targets_python3_11(-)] >=dev-python/pydantic-2.4.2[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.4.0[python_targets_python3_11(-)] >=dev-python/rich-13.6.0[python_targets_python3_11(-)] >=dev-python/scipy-1.11.3[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_12(-)] >=dev-python/cachetools-5.3.2[python_targets_python3_12(-)] >=dev-python/emcee-3.1.4[python_targets_python3_12(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_12(-)] >=dev-python/matplotlib-3.8.0[python_targets_python3_12(-)] >=dev-python/numpy-1.26.1[python_targets_python3_12(-)] >=dev-python/pydantic-2.4.2[python_targets_python3_12(-)] >=dev-python/rapidfuzz-3.4.0[python_targets_python3_12(-)] >=dev-python/rich-13.6.0[python_targets_python3_12(-)] >=dev-python/scipy-1.11.3[python_targets_python3_12(-)] >=dev-python/tomli-2.0.1[python_targets_python3_12(-)] ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) -REQUIRED_USE=^^ ( python_single_target_python3_11 python_single_target_python3_12 ) -RESTRICT=test !test? ( test ) -SLOT=0 -SRC_URI=https://github.com/gbouvignies/ChemEx/archive/refs/tags/v2024.02.16.tar.gz -> chemex-2024.02.16.tar.gz -_eclasses_=distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 -_md5_=3262c403388112b90af1fdd29c572837 diff --git a/metadata/md5-cache/sci-chemistry/chemex-2024.05.2-r1 b/metadata/md5-cache/sci-chemistry/chemex-2024.05.2-r1 new file mode 100644 index 000000000000..d25d76fa8bbd --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemex-2024.05.2-r1 @@ -0,0 +1,17 @@ +BDEPEND=test? ( python_single_target_python3_11? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.3[python_targets_python3_11(-)] >=dev-python/emcee-3.1.4[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_11(-)] >=dev-python/matplotlib-3.8.4[python_targets_python3_11(-)] >=dev-python/numpy-1.26.4[python_targets_python3_11(-)] >=dev-python/pydantic-2.6.4[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.7.0[python_targets_python3_11(-)] >=dev-python/rich-13.7.1[python_targets_python3_11(-)] >=dev-python/scipy-1.13.0[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_12(-)] >=dev-python/cachetools-5.3.3[python_targets_python3_12(-)] >=dev-python/emcee-3.1.4[python_targets_python3_12(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_12(-)] >=dev-python/matplotlib-3.8.4[python_targets_python3_12(-)] >=dev-python/numpy-1.26.4[python_targets_python3_12(-)] >=dev-python/pydantic-2.6.4[python_targets_python3_12(-)] >=dev-python/rapidfuzz-3.7.0[python_targets_python3_12(-)] >=dev-python/rich-13.7.1[python_targets_python3_12(-)] >=dev-python/scipy-1.13.0[python_targets_python3_12(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.4.4[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/pytest-7.4.4[python_targets_python3_12(-)] ) ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) python_single_target_python3_11? ( >=dev-python/gpep517-15[python_targets_python3_11(-)] >=dev-python/pdm-backend-2.1.8[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/gpep517-15[python_targets_python3_12(-)] >=dev-python/pdm-backend-2.1.8[python_targets_python3_12(-)] ) +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=python_single_target_python3_11? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.3[python_targets_python3_11(-)] >=dev-python/emcee-3.1.4[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_11(-)] >=dev-python/matplotlib-3.8.4[python_targets_python3_11(-)] >=dev-python/numpy-1.26.4[python_targets_python3_11(-)] >=dev-python/pydantic-2.6.4[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.7.0[python_targets_python3_11(-)] >=dev-python/rich-13.7.1[python_targets_python3_11(-)] >=dev-python/scipy-1.13.0[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_12(-)] >=dev-python/cachetools-5.3.3[python_targets_python3_12(-)] >=dev-python/emcee-3.1.4[python_targets_python3_12(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_12(-)] >=dev-python/matplotlib-3.8.4[python_targets_python3_12(-)] >=dev-python/numpy-1.26.4[python_targets_python3_12(-)] >=dev-python/pydantic-2.6.4[python_targets_python3_12(-)] >=dev-python/rapidfuzz-3.7.0[python_targets_python3_12(-)] >=dev-python/rich-13.7.1[python_targets_python3_12(-)] >=dev-python/scipy-1.13.0[python_targets_python3_12(-)] ) +DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data +EAPI=8 +HOMEPAGE=https://github.com/gbouvignies/chemex +INHERIT=distutils-r1 +IUSE=test test python_single_target_python3_11 python_single_target_python3_12 +KEYWORDS=~amd64 +LICENSE=BSD +RDEPEND=python_single_target_python3_11? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.3[python_targets_python3_11(-)] >=dev-python/emcee-3.1.4[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_11(-)] >=dev-python/matplotlib-3.8.4[python_targets_python3_11(-)] >=dev-python/numpy-1.26.4[python_targets_python3_11(-)] >=dev-python/pydantic-2.6.4[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.7.0[python_targets_python3_11(-)] >=dev-python/rich-13.7.1[python_targets_python3_11(-)] >=dev-python/scipy-1.13.0[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_12(-)] >=dev-python/cachetools-5.3.3[python_targets_python3_12(-)] >=dev-python/emcee-3.1.4[python_targets_python3_12(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_12(-)] >=dev-python/matplotlib-3.8.4[python_targets_python3_12(-)] >=dev-python/numpy-1.26.4[python_targets_python3_12(-)] >=dev-python/pydantic-2.6.4[python_targets_python3_12(-)] >=dev-python/rapidfuzz-3.7.0[python_targets_python3_12(-)] >=dev-python/rich-13.7.1[python_targets_python3_12(-)] >=dev-python/scipy-1.13.0[python_targets_python3_12(-)] ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) +REQUIRED_USE=^^ ( python_single_target_python3_11 python_single_target_python3_12 ) +RESTRICT=test !test? ( test ) +SLOT=0 +SRC_URI=https://github.com/gbouvignies/ChemEx/archive/refs/tags/v2024.05.2.tar.gz -> chemex-2024.05.2.tar.gz +_eclasses_=distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 +_md5_=ab972cea82eedf80c5ebc16d5228124f diff --git a/metadata/md5-cache/sci-chemistry/chemex-2024.05.3-r1 b/metadata/md5-cache/sci-chemistry/chemex-2024.05.3-r1 new file mode 100644 index 000000000000..a75efa1c093a --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/chemex-2024.05.3-r1 @@ -0,0 +1,17 @@ +BDEPEND=test? ( python_single_target_python3_11? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.3[python_targets_python3_11(-)] >=dev-python/emcee-3.1.4[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_11(-)] >=dev-python/matplotlib-3.8.4[python_targets_python3_11(-)] >=dev-python/numpy-1.26.4[python_targets_python3_11(-)] >=dev-python/pydantic-2.6.4[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.7.0[python_targets_python3_11(-)] >=dev-python/rich-13.7.1[python_targets_python3_11(-)] >=dev-python/scipy-1.13.0[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_12(-)] >=dev-python/cachetools-5.3.3[python_targets_python3_12(-)] >=dev-python/emcee-3.1.4[python_targets_python3_12(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_12(-)] >=dev-python/matplotlib-3.8.4[python_targets_python3_12(-)] >=dev-python/numpy-1.26.4[python_targets_python3_12(-)] >=dev-python/pydantic-2.6.4[python_targets_python3_12(-)] >=dev-python/rapidfuzz-3.7.0[python_targets_python3_12(-)] >=dev-python/rich-13.7.1[python_targets_python3_12(-)] >=dev-python/scipy-1.13.0[python_targets_python3_12(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.4.4[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/pytest-7.4.4[python_targets_python3_12(-)] ) ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) python_single_target_python3_11? ( >=dev-python/gpep517-15[python_targets_python3_11(-)] >=dev-python/pdm-backend-2.1.8[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/gpep517-15[python_targets_python3_12(-)] >=dev-python/pdm-backend-2.1.8[python_targets_python3_12(-)] ) +DEFINED_PHASES=compile configure install prepare setup test +DEPEND=python_single_target_python3_11? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.3[python_targets_python3_11(-)] >=dev-python/emcee-3.1.4[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_11(-)] >=dev-python/matplotlib-3.8.4[python_targets_python3_11(-)] >=dev-python/numpy-1.26.4[python_targets_python3_11(-)] >=dev-python/pydantic-2.6.4[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.7.0[python_targets_python3_11(-)] >=dev-python/rich-13.7.1[python_targets_python3_11(-)] >=dev-python/scipy-1.13.0[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_12(-)] >=dev-python/cachetools-5.3.3[python_targets_python3_12(-)] >=dev-python/emcee-3.1.4[python_targets_python3_12(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_12(-)] >=dev-python/matplotlib-3.8.4[python_targets_python3_12(-)] >=dev-python/numpy-1.26.4[python_targets_python3_12(-)] >=dev-python/pydantic-2.6.4[python_targets_python3_12(-)] >=dev-python/rapidfuzz-3.7.0[python_targets_python3_12(-)] >=dev-python/rich-13.7.1[python_targets_python3_12(-)] >=dev-python/scipy-1.13.0[python_targets_python3_12(-)] ) +DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data +EAPI=8 +HOMEPAGE=https://github.com/gbouvignies/chemex +INHERIT=distutils-r1 +IUSE=test test python_single_target_python3_11 python_single_target_python3_12 +KEYWORDS=~amd64 +LICENSE=BSD +RDEPEND=python_single_target_python3_11? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_11(-)] >=dev-python/cachetools-5.3.3[python_targets_python3_11(-)] >=dev-python/emcee-3.1.4[python_targets_python3_11(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_11(-)] >=dev-python/matplotlib-3.8.4[python_targets_python3_11(-)] >=dev-python/numpy-1.26.4[python_targets_python3_11(-)] >=dev-python/pydantic-2.6.4[python_targets_python3_11(-)] >=dev-python/rapidfuzz-3.7.0[python_targets_python3_11(-)] >=dev-python/rich-13.7.1[python_targets_python3_11(-)] >=dev-python/scipy-1.13.0[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/annotated-types-0.6.0[python_targets_python3_12(-)] >=dev-python/cachetools-5.3.3[python_targets_python3_12(-)] >=dev-python/emcee-3.1.4[python_targets_python3_12(-)] >=dev-python/lmfit-1.2.2[python_targets_python3_12(-)] >=dev-python/matplotlib-3.8.4[python_targets_python3_12(-)] >=dev-python/numpy-1.26.4[python_targets_python3_12(-)] >=dev-python/pydantic-2.6.4[python_targets_python3_12(-)] >=dev-python/rapidfuzz-3.7.0[python_targets_python3_12(-)] >=dev-python/rich-13.7.1[python_targets_python3_12(-)] >=dev-python/scipy-1.13.0[python_targets_python3_12(-)] ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) +REQUIRED_USE=^^ ( python_single_target_python3_11 python_single_target_python3_12 ) +RESTRICT=test !test? ( test ) +SLOT=0 +SRC_URI=https://github.com/gbouvignies/ChemEx/archive/refs/tags/v2024.05.3.tar.gz -> chemex-2024.05.3.tar.gz +_eclasses_=distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 +_md5_=ab972cea82eedf80c5ebc16d5228124f diff --git a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r4 b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r4 index 157cc2342eb4..cf85ef8e3994 100644 --- a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r4 +++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r4 @@ -1,4 +1,4 @@ -BDEPEND=dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt || ( gnome-base/librsvg media-gfx/imagemagick[xml,png,svg] ) media-gfx/imagemagick[png] virtual/pkgconfig >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 +BDEPEND=dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt || ( gnome-base/librsvg media-gfx/imagemagick[xml,png,svg] ) media-gfx/imagemagick[png] virtual/pkgconfig >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 DEFINED_PHASES=configure postinst postrm preinst prepare DEPEND=x11-misc/shared-mime-info dev-util/desktop-file-utils x11-misc/shared-mime-info DESCRIPTION=A collection of data files to add support for chemical MIME types @@ -10,5 +10,5 @@ LICENSE=LGPL-2.1 RDEPEND=x11-misc/shared-mime-info SLOT=0 SRC_URI=https://downloads.sourceforge.net/chemical-mime/chemical-mime-data-0.1.94.tar.bz2 -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=31a79f2f46adb2d4b203b2f9b3b0bd41 diff --git a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.95_pre20171122 b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.95_pre20171122 index 69a83ad42fc6..881912678d60 100644 --- a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.95_pre20171122 +++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.95_pre20171122 @@ -1,4 +1,4 @@ -BDEPEND=dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt virtual/pkgconfig >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 +BDEPEND=dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt virtual/pkgconfig >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 DEFINED_PHASES=configure postinst postrm preinst prepare DEPEND=x11-misc/shared-mime-info DESCRIPTION=A collection of data files to add support for chemical MIME types @@ -11,5 +11,5 @@ LICENSE=LGPL-2.1 RDEPEND=x11-misc/shared-mime-info SLOT=0 SRC_URI=https://github.com/dleidert/chemical-mime/archive/4fd66e3b3b7d922555d1e25587908b036805c45b.tar.gz -> chemical-mime-data-0.1.95_pre20171122.tar.gz -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=9ce375c7d4ec0b92d83b9e566a5c9505 diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 index 3ad2cf91f21f..3a5f970e8640 100644 --- a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 +++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 @@ -1,4 +1,4 @@ -BDEPEND=virtual/pkgconfig >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 +BDEPEND=virtual/pkgconfig >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 DEFINED_PHASES=configure install prepare DEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) DESCRIPTION=A GTK program for drawing organic molecules @@ -11,5 +11,5 @@ LICENSE=GPL-2 RDEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) SLOT=0 SRC_URI=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/chemtool-1.6.14.tar.gz -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d desktop 021728fdc1b03b36357dbc89489e0f0d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 desktop 021728fdc1b03b36357dbc89489e0f0d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=ec2a33e3b596e37ff37f7d67c3756378 diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14-r1 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14-r1 index f5a6cdd17fbf..ec32c4b0eab2 100644 --- a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14-r1 +++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14-r1 @@ -1,4 +1,4 @@ -BDEPEND=virtual/pkgconfig >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 +BDEPEND=virtual/pkgconfig >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 DEFINED_PHASES=configure install prepare DEPEND=dev-libs/glib:2 >=media-gfx/fig2dev-3.2.9-r1 x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) DESCRIPTION=A GTK program for drawing organic molecules @@ -11,5 +11,5 @@ LICENSE=GPL-2 RDEPEND=dev-libs/glib:2 >=media-gfx/fig2dev-3.2.9-r1 x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf ) SLOT=0 SRC_URI=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/chemtool-1.6.14.tar.gz https://upload.wikimedia.org/wikipedia/commons/5/58/Adamantane_acsv.svg -> chemtool.png -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d desktop 021728fdc1b03b36357dbc89489e0f0d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 desktop 021728fdc1b03b36357dbc89489e0f0d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=453d4c21f1a070c9a7623112bcebb3f9 diff --git a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 index 0dcb4f578ecb..003ec418c7d5 100644 --- a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 +++ b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r1 @@ -7,5 +7,5 @@ KEYWORDS=amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=richardson SLOT=0 SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/cluster/cluster.1.3.081231.src.tgz -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=764c8f8a4af6dd888eea6b7aeb2ebaa0 diff --git a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r2 b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r2 index 35007a625272..2157fa9e74a7 100644 --- a/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r2 +++ b/metadata/md5-cache/sci-chemistry/cluster-1.3.081231-r2 @@ -7,5 +7,5 @@ KEYWORDS=amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=richardson SLOT=0 SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/cluster/cluster.1.3.081231.src.tgz -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=736dc52647e90d4a83eb85374107a121 diff --git a/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r3 b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r3 index cf645df754a4..917b97293f3e 100644 --- a/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r3 +++ b/metadata/md5-cache/sci-chemistry/dssp-2.2.1-r3 @@ -9,5 +9,5 @@ LICENSE=Boost-1.0 RDEPEND=dev-libs/boost:=[bzip2,zlib] SLOT=0 SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/dssp-2.2.1.tgz -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=59e4c5020f62cd80c28ba1ca822f59ec diff --git a/metadata/md5-cache/sci-chemistry/dssp-3.0.11 b/metadata/md5-cache/sci-chemistry/dssp-3.0.11 index 81f815c62e71..88ea998a93be 100644 --- a/metadata/md5-cache/sci-chemistry/dssp-3.0.11 +++ b/metadata/md5-cache/sci-chemistry/dssp-3.0.11 @@ -1,4 +1,4 @@ -BDEPEND=>=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 +BDEPEND=>=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 DEFINED_PHASES=install prepare DEPEND=dev-lang/perl:= dev-libs/boost:=[bzip2,zlib] DESCRIPTION=The protein secondary structure standard @@ -11,5 +11,5 @@ RDEPEND=dev-lang/perl:= dev-libs/boost:=[bzip2,zlib] RESTRICT=test SLOT=0 SRC_URI=https://github.com/cmbi/hssp/archive/refs/tags/3.0.11.tar.gz -> dssp-3.0.11.tar.gz -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=b8fa01bcfdc6923a04bf6e867113abfd diff --git a/metadata/md5-cache/sci-chemistry/dssp-4.4.4.1 b/metadata/md5-cache/sci-chemistry/dssp-4.4.4.1 index db604956e2a1..d2e2804c64b9 100644 --- a/metadata/md5-cache/sci-chemistry/dssp-4.4.4.1 +++ b/metadata/md5-cache/sci-chemistry/dssp-4.4.4.1 @@ -9,5 +9,5 @@ LICENSE=BSD-2 RDEPEND=dev-libs/boost:=[zlib] >=dev-libs/libmcfp-1.2.2 >=sci-libs/libcifpp-5.2.0 SLOT=0 SRC_URI=https://github.com/PDB-REDO/dssp/archive/refs/tags/v4.4.4.1.tar.gz -> dssp-4.4.4.1.tar.gz -_eclasses_=cmake c7c9a62d6232cac66d4ea32d575c3e7c flag-o-matic d309b9713dfc18e754cba88d3ba69653 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 258a4691fd43b8cd5814cb1acbb3c7df flag-o-matic e503ea5acc20410237ba33ec3f7c857d multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=63e550aeee23032d4bfbef6cd6181249 diff --git a/metadata/md5-cache/sci-chemistry/dssp-4.4.7 b/metadata/md5-cache/sci-chemistry/dssp-4.4.7 index aea5be6be73b..e1194000911c 100644 --- a/metadata/md5-cache/sci-chemistry/dssp-4.4.7 +++ b/metadata/md5-cache/sci-chemistry/dssp-4.4.7 @@ -1,4 +1,4 @@ -BDEPEND=dev-libs/boost:=[zlib] >=dev-libs/libmcfp-1.2.2 >=sci-libs/libcifpp-7.0.3 app-alternatives/ninja >=dev-build/cmake-3.20.5 +BDEPEND=dev-libs/boost:=[zlib] >=dev-libs/libmcfp-1.2.2 >=sci-libs/libcifpp-7.0.3 dev-cpp/catch:0 app-alternatives/ninja >=dev-build/cmake-3.20.5 DEFINED_PHASES=compile configure install postinst prepare test DESCRIPTION=The protein secondary structure standard EAPI=8 @@ -9,5 +9,5 @@ LICENSE=BSD-2 RDEPEND=dev-libs/boost:=[zlib] >=dev-libs/libmcfp-1.2.2 >=sci-libs/libcifpp-7.0.3 SLOT=0 SRC_URI=https://github.com/PDB-REDO/dssp/archive/refs/tags/v4.4.7.tar.gz -> dssp-4.4.7.tar.gz -_eclasses_=cmake c7c9a62d6232cac66d4ea32d575c3e7c flag-o-matic d309b9713dfc18e754cba88d3ba69653 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=049770e2d692629d2a7ac896c6aa1cdb +_eclasses_=cmake 258a4691fd43b8cd5814cb1acbb3c7df flag-o-matic e503ea5acc20410237ba33ec3f7c857d multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 +_md5_=1dfbcbab0e49a51cf29b67c63661afa0 diff --git a/metadata/md5-cache/sci-chemistry/easychem-0.6-r2 b/metadata/md5-cache/sci-chemistry/easychem-0.6-r2 index b5d61e7adcb7..14f531295a6b 100644 --- a/metadata/md5-cache/sci-chemistry/easychem-0.6-r2 +++ b/metadata/md5-cache/sci-chemistry/easychem-0.6-r2 @@ -10,5 +10,5 @@ LICENSE=GPL-2 RDEPEND=app-text/ghostscript-gpl media-gfx/pstoedit x11-libs/gtk+:2 SLOT=0 SRC_URI=https://downloads.sourceforge.net/easychem/easychem-0.6.tar.gz -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=d427dd0a2388957fae9904fc72043684 diff --git a/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r3 index f71a2ca5d578..b6ca0bc187be 100644 --- a/metadata/md5-cache/sci-chemistry/elem-1.0.3-r2 +++ b/metadata/md5-cache/sci-chemistry/elem-1.0.3-r3 @@ -1,13 +1,13 @@ DEFINED_PHASES=compile configure install DEPEND=x11-libs/xforms DESCRIPTION=periodic table of the elements -EAPI=6 +EAPI=8 HOMEPAGE=http://elem.sourceforge.net/ INHERIT=toolchain-funcs -KEYWORDS=amd64 sparc ~x86 +KEYWORDS=amd64 ~x86 LICENSE=GPL-2 RDEPEND=x11-libs/xforms SLOT=0 SRC_URI=https://downloads.sourceforge.net/elem/elem-src-1.0.3-Linux.tgz -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 -_md5_=f0ed18a2652eb756fe0dd3c8d655bf51 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 +_md5_=0780abdcd22c8c27afec8380545ff843 diff --git a/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1 b/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1 index 8e002d11c48f..d6d053bcf671 100644 --- a/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1 +++ b/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1 @@ -1,4 +1,4 @@ -BDEPEND=dev-util/intltool sys-devel/gettext virtual/pkgconfig doc? ( app-text/doxygen ) >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 +BDEPEND=dev-util/intltool sys-devel/gettext virtual/pkgconfig doc? ( app-text/doxygen ) >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 DEFINED_PHASES=configure install postinst postrm preinst prepare DEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 dev-util/desktop-file-utils x11-misc/shared-mime-info DESCRIPTION=Periodic table viewer with detailed information on the chemical elements @@ -11,5 +11,5 @@ LICENSE=GPL-3 MIT RDEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 SLOT=0 SRC_URI=https://github.com/ginggs/gelemental/archive/v2.0.0.tar.gz -> gelemental-2.0.0.tar.gz -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d flag-o-matic d309b9713dfc18e754cba88d3ba69653 gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 flag-o-matic e503ea5acc20410237ba33ec3f7c857d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=e6c4f2d91d68cb5588f70952f51db5f6 diff --git a/metadata/md5-cache/sci-chemistry/gelemental-2.0.2 b/metadata/md5-cache/sci-chemistry/gelemental-2.0.2 index b8127a3c904d..db898418dce8 100644 --- a/metadata/md5-cache/sci-chemistry/gelemental-2.0.2 +++ b/metadata/md5-cache/sci-chemistry/gelemental-2.0.2 @@ -1,4 +1,4 @@ -BDEPEND=dev-util/intltool sys-devel/gettext virtual/pkgconfig doc? ( app-text/doxygen ) >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 +BDEPEND=dev-util/intltool sys-devel/gettext virtual/pkgconfig doc? ( app-text/doxygen ) >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 DEFINED_PHASES=configure install postinst postrm preinst prepare DEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 DESCRIPTION=Periodic table viewer with detailed information on the chemical elements @@ -12,5 +12,5 @@ LICENSE=GPL-3 MIT RDEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 SLOT=0 SRC_URI=https://github.com/ginggs/gelemental/archive/v2.0.2.tar.gz -> gelemental-2.0.2.tar.gz -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d flag-o-matic d309b9713dfc18e754cba88d3ba69653 gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 flag-o-matic e503ea5acc20410237ba33ec3f7c857d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=d981218a68da67f0cb9d487b33545477 diff --git a/metadata/md5-cache/sci-chemistry/gnome-chemistry-utils-0.14.17_p6-r2 b/metadata/md5-cache/sci-chemistry/gnome-chemistry-utils-0.14.17_p6-r2 index 3def029f52c1..87f67037fdb1 100644 --- a/metadata/md5-cache/sci-chemistry/gnome-chemistry-utils-0.14.17_p6-r2 +++ b/metadata/md5-cache/sci-chemistry/gnome-chemistry-utils-0.14.17_p6-r2 @@ -1,4 +1,4 @@ -BDEPEND=app-text/doxygen app-text/yelp-tools virtual/pkgconfig >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 +BDEPEND=app-text/doxygen app-text/yelp-tools virtual/pkgconfig >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 DEFINED_PHASES=configure install postinst postrm preinst prepare DEPEND=>=dev-libs/glib-2.36.0:2 >=dev-libs/libxml2-2.4.16:2 >=gnome-extra/libgsf-1.14.9 >=sci-chemistry/bodr-5 >=sci-chemistry/chemical-mime-data-0.1.94 >=sci-chemistry/openbabel-2.3.0:0= >=x11-libs/cairo-1.6.0 >=x11-libs/gdk-pixbuf-2.22.0 >=x11-libs/goffice-0.10.12 x11-libs/gtk+:3[X] >=x11-libs/libX11-1.0.0 virtual/glu gnumeric? ( >=app-office/gnumeric-1.12.42:= ) DESCRIPTION=Programs and library containing GTK widgets and C++ classes related to chemistry @@ -12,5 +12,5 @@ LICENSE=GPL-3 RDEPEND=>=dev-libs/glib-2.36.0:2 >=dev-libs/libxml2-2.4.16:2 >=gnome-extra/libgsf-1.14.9 >=sci-chemistry/bodr-5 >=sci-chemistry/chemical-mime-data-0.1.94 >=sci-chemistry/openbabel-2.3.0:0= >=x11-libs/cairo-1.6.0 >=x11-libs/gdk-pixbuf-2.22.0 >=x11-libs/goffice-0.10.12 x11-libs/gtk+:3[X] >=x11-libs/libX11-1.0.0 virtual/glu gnumeric? ( >=app-office/gnumeric-1.12.42:= ) SLOT=0 SRC_URI=http://download.savannah.gnu.org/releases/gchemutils/0.14/gnome-chemistry-utils-0.14.17.tar.xz mirror://debian/pool/main/g/gnome-chemistry-utils/gnome-chemistry-utils_0.14.17-6.debian.tar.xz -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d flag-o-matic d309b9713dfc18e754cba88d3ba69653 gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 flag-o-matic e503ea5acc20410237ba33ec3f7c857d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=6e6bb6adab9851a4bcb2590675bf3466 diff --git a/metadata/md5-cache/sci-chemistry/gperiodic-3.0.3 b/metadata/md5-cache/sci-chemistry/gperiodic-3.0.3 index 0e2d430c7da1..06c6c847d768 100644 --- a/metadata/md5-cache/sci-chemistry/gperiodic-3.0.3 +++ b/metadata/md5-cache/sci-chemistry/gperiodic-3.0.3 @@ -11,5 +11,5 @@ LICENSE=GPL-2 RDEPEND=sys-libs/ncurses:0 x11-libs/gtk+:2 x11-libs/cairo[X] SLOT=0 SRC_URI=https://downloads.sourceforge.net/project/gperiodic/gperiodic-3.0.3.tar.gz -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=111cdad824ef96ba0ff830dbcb0f14eb diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.7-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2020.7-r1 index 556e53f0ef6c..7c188662291e 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2020.7-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.7-r1 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cud 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 c7c9a62d6232cac66d4ea32d575c3e7c cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 258a4691fd43b8cd5814cb1acbb3c7df cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e readme.gentoo-r1 b8c7a61664027641d79dcfc04bd366f4 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=7164f6d5a59e991b3e31d7cd931cdaa5 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.7-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2021.7-r1 index 246d80fde735..0884dba25347 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2021.7-r1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.7-r1 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cud 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 c7c9a62d6232cac66d4ea32d575c3e7c cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 258a4691fd43b8cd5814cb1acbb3c7df cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e readme.gentoo-r1 b8c7a61664027641d79dcfc04bd366f4 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=c849542eba2fbee7ce887e8ea845ac98 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.6 b/metadata/md5-cache/sci-chemistry/gromacs-2022.6 index 7c60510cb736..427ba6798f27 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2022.6 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.6 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cud 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 c7c9a62d6232cac66d4ea32d575c3e7c cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 258a4691fd43b8cd5814cb1acbb3c7df cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e readme.gentoo-r1 b8c7a61664027641d79dcfc04bd366f4 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=54b2680c16d057b98219041b3fef8962 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023.4 b/metadata/md5-cache/sci-chemistry/gromacs-2023.4 index d1a9383d1b86..fb8416d2f75e 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2023.4 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2023.4 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cud RESTRICT=!test? ( test ) SLOT=0/2023.4 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2023.4.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2023.4.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2023.4.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake c7c9a62d6232cac66d4ea32d575c3e7c cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 258a4691fd43b8cd5814cb1acbb3c7df cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e readme.gentoo-r1 b8c7a61664027641d79dcfc04bd366f4 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=2913fa98274b71a930f88d0aaee5c3fd diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 index 9232430e97ef..af4278731b3d 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 @@ -11,5 +11,5 @@ RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profi 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 python_single_target_python3_12 ) RESTRICT=!test? ( test ) SLOT=0/2023.9999 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake c7c9a62d6232cac66d4ea32d575c3e7c cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 git-r3 fbb2889c81f3a05910c1524db69425c1 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 258a4691fd43b8cd5814cb1acbb3c7df cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d git-r3 875eb471682d3e1f18da124be97dcc81 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e readme.gentoo-r1 b8c7a61664027641d79dcfc04bd366f4 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=2913fa98274b71a930f88d0aaee5c3fd diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2024 b/metadata/md5-cache/sci-chemistry/gromacs-2024 index 4783006f3612..a3221a780d80 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2024 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2024 @@ -12,5 +12,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cud RESTRICT=!test? ( test ) SLOT=0/2024 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2024.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2024.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2024.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake c7c9a62d6232cac66d4ea32d575c3e7c cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 258a4691fd43b8cd5814cb1acbb3c7df cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e readme.gentoo-r1 b8c7a61664027641d79dcfc04bd366f4 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=2913fa98274b71a930f88d0aaee5c3fd diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2024.1 b/metadata/md5-cache/sci-chemistry/gromacs-2024.1 index f07c440d702c..382ed61f9533 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2024.1 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2024.1 @@ -5,12 +5,12 @@ EAPI=8 HOMEPAGE=https://www.gromacs.org/ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12 -KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos +KEYWORDS=~amd64 -arm ~arm64 ~riscv ~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 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) 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 python_single_target_python3_12 ) RESTRICT=!test? ( test ) SLOT=0/2024.1 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2024.1.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2024.1.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2024.1.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake c7c9a62d6232cac66d4ea32d575c3e7c cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=2913fa98274b71a930f88d0aaee5c3fd +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 258a4691fd43b8cd5814cb1acbb3c7df cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e readme.gentoo-r1 b8c7a61664027641d79dcfc04bd366f4 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 +_md5_=bc9440ee2c526e412faba6dd25dd9650 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2024.2 b/metadata/md5-cache/sci-chemistry/gromacs-2024.2 index 8920be8a7d13..8129c510167b 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2024.2 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2024.2 @@ -5,12 +5,12 @@ EAPI=8 HOMEPAGE=https://www.gromacs.org/ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12 -KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos +KEYWORDS=~amd64 -arm ~arm64 ~riscv ~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 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) 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 python_single_target_python3_12 ) RESTRICT=!test? ( test ) SLOT=0/2024.2 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2024.2.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2024.2.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2024.2.tar.gz ) -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake c7c9a62d6232cac66d4ea32d575c3e7c cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=2913fa98274b71a930f88d0aaee5c3fd +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 258a4691fd43b8cd5814cb1acbb3c7df cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e readme.gentoo-r1 b8c7a61664027641d79dcfc04bd366f4 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 +_md5_=bc9440ee2c526e412faba6dd25dd9650 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2024.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2024.9999 index e8a81d0a3d5d..a33e3a14556d 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-2024.9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-2024.9999 @@ -11,5 +11,5 @@ RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profi 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 python_single_target_python3_12 ) RESTRICT=!test? ( test ) SLOT=0/2024.9999 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake c7c9a62d6232cac66d4ea32d575c3e7c cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 git-r3 fbb2889c81f3a05910c1524db69425c1 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=2913fa98274b71a930f88d0aaee5c3fd +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 258a4691fd43b8cd5814cb1acbb3c7df cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d git-r3 875eb471682d3e1f18da124be97dcc81 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e readme.gentoo-r1 b8c7a61664027641d79dcfc04bd366f4 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 +_md5_=bc9440ee2c526e412faba6dd25dd9650 diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999 index a05ae887ed7c..655033af4435 100644 --- a/metadata/md5-cache/sci-chemistry/gromacs-9999 +++ b/metadata/md5-cache/sci-chemistry/gromacs-9999 @@ -11,5 +11,5 @@ RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profi 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 python_single_target_python3_12 ) RESTRICT=!test? ( test ) SLOT=0/9999 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake c7c9a62d6232cac66d4ea32d575c3e7c cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 git-r3 fbb2889c81f3a05910c1524db69425c1 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea readme.gentoo-r1 204091a2cde6179cd9d3db26d09412d3 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=2913fa98274b71a930f88d0aaee5c3fd +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 258a4691fd43b8cd5814cb1acbb3c7df cuda 283d0f298f6c196c755a0f8d50daca85 distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d git-r3 875eb471682d3e1f18da124be97dcc81 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e readme.gentoo-r1 b8c7a61664027641d79dcfc04bd366f4 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 +_md5_=bc9440ee2c526e412faba6dd25dd9650 diff --git a/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 b/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 index e61e6747b96a..2f084136ce64 100644 --- a/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 +++ b/metadata/md5-cache/sci-chemistry/ksdssp-040728-r1 @@ -10,5 +10,5 @@ LICENSE=BSD RDEPEND=sci-libs/libpdb++ SLOT=0 SRC_URI=mirror://gentoo/ksdssp-040728.shar -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=d9484bfa46cce35d2317ffe1b0a890a9 diff --git a/metadata/md5-cache/sci-chemistry/modeller-10.5 b/metadata/md5-cache/sci-chemistry/modeller-10.5 index 48a3bbfdc284..0ecc1d143f88 100644 --- a/metadata/md5-cache/sci-chemistry/modeller-10.5 +++ b/metadata/md5-cache/sci-chemistry/modeller-10.5 @@ -13,5 +13,5 @@ REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 python_tar RESTRICT=mirror SLOT=0 SRC_URI=https://salilab.org/modeller/10.5/modeller-10.5.tar.gz -_eclasses_=distutils-r1 5400d21736d8621562bf93be4fa98eec eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 8a28fa6d3e3bc96ff8a7eff2badbe71f python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=distutils-r1 39c571155ace3dd926fe0d6440cf0a50 eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 c1fc393cd1e72f093b4838e29d27918c python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=c389b9e9e74f5718f27ab8b4c1311583 diff --git a/metadata/md5-cache/sci-chemistry/molden-6.9-r1 b/metadata/md5-cache/sci-chemistry/molden-6.9-r1 index c2bcb3908aa1..9164d11af7a3 100644 --- a/metadata/md5-cache/sci-chemistry/molden-6.9-r1 +++ b/metadata/md5-cache/sci-chemistry/molden-6.9-r1 @@ -11,5 +11,5 @@ LICENSE=MOLDEN RDEPEND=x11-libs/libXmu opengl? ( media-libs/freeglut virtual/opengl virtual/glu ) sci-chemistry/surf virtual/fortran SLOT=0 SRC_URI=ftp://ftp.science.ru.nl/pub/Molden/molden6.9.tar.gz -_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic d309b9713dfc18e754cba88d3ba69653 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic e503ea5acc20410237ba33ec3f7c857d fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=9aa6ccc7bbccdef90f61709317e200a8 diff --git a/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 index c6cc2c2f397f..96e967bf819b 100644 --- a/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 +++ b/metadata/md5-cache/sci-chemistry/moldy-2.16e-r2 @@ -9,5 +9,5 @@ KEYWORDS=amd64 ~ppc ~x86 ~amd64-linux ~x86-linux ~ppc-macos LICENSE=GPL-2 SLOT=0 SRC_URI=ftp://ftp.earth.ox.ac.uk/pub/keith/moldy-2.16e.tar.gz -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=e9e40f56e24c1ccce0db04513b4fee54 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 90e25be49619..08876ffcacc6 100644 --- a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 +++ b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 @@ -1,17 +1,17 @@ BDEPEND=doc? ( app-text/doxygen ) app-alternatives/ninja >=dev-build/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 ) python_targets_python3_11? ( dev-lang/python: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 ) python_targets_python3_12? ( dev-lang/python:3.12 ) net-libs/cppzmq:0= ) DESCRIPTION=Abstract, manage and coordinate execution of tasks EAPI=7 HOMEPAGE=https://www.openchemistry.org/projects/molequeue/ INHERIT=cmake python-r1 virtualx -IUSE=+client doc server test +zeromq python_targets_python3_10 python_targets_python3_11 test +IUSE=+client doc server test +zeromq python_targets_python3_10 python_targets_python3_11 python_targets_python3_12 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 ) 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 ) ) +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 ) python_targets_python3_12? ( dev-lang/python:3.12 ) net-libs/cppzmq:0= ) +REQUIRED_USE=server? ( client ) test? ( server ) zeromq? ( || ( python_targets_python3_10 python_targets_python3_11 python_targets_python3_12 ) ) RESTRICT=test !test? ( test ) SLOT=0 SRC_URI=https://github.com/OpenChemistry/molequeue/archive/0.9.0.tar.gz -> molequeue-0.9.0.tar.gz -_eclasses_=cmake c7c9a62d6232cac66d4ea32d575c3e7c eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 8a28fa6d3e3bc96ff8a7eff2badbe71f python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 virtualx 817571665ee28575da44ee08135089e5 xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=a108f91303f67878f78222fd95efc3ca +_eclasses_=cmake 258a4691fd43b8cd5814cb1acbb3c7df eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 c1fc393cd1e72f093b4838e29d27918c python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 virtualx 817571665ee28575da44ee08135089e5 xdg-utils baea6080dd821f5562d715887954c9d3 +_md5_=3ff43d0d8e46513eac84b0e1af756aec diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8 index 164fd88fa536..04e148688599 100644 --- a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8 +++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8 @@ -9,5 +9,5 @@ LICENSE=molmol RDEPEND=|| ( ( media-libs/mesa[X(+)] x11-libs/libGLw ) media-libs/mesa[motif(-),X(+)] ) media-libs/libjpeg-turbo:= media-libs/libpng:= media-libs/tiff:= sys-libs/zlib virtual/glu x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo SLOT=0 SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz https://dev.gentoo.org/~soap/distfiles/molmol-patches.tbz2 https://dev.gentoo.org/~pacho/molmol/molmol_256.png -_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=fc57f883c4cfaa312919dc79d49c13b5 diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r9 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r9 index 247f18e5965d..0d38c86dfb57 100644 --- a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r9 +++ b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r9 @@ -4,10 +4,10 @@ DESCRIPTION=Publication-quality molecular visualization package EAPI=8 HOMEPAGE=http://www.csb.yale.edu/userguides/graphics/molmol/molmol_descrip.html http://pjf.net/science/molmol.html INHERIT=desktop toolchain-funcs -KEYWORDS=~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux +KEYWORDS=amd64 ~ppc ~x86 ~amd64-linux ~x86-linux LICENSE=molmol RDEPEND=|| ( ( media-libs/mesa[X(+)] x11-libs/libGLw ) media-libs/mesa[motif(-),X(+)] ) media-libs/libjpeg-turbo:= media-libs/libpng:= media-libs/tiff:= sys-libs/zlib virtual/glu x11-libs/libXpm x11-libs/motif:0 x11-apps/xdpyinfo SLOT=0 SRC_URI=ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-src.tar.gz ftp://ftp.mol.biol.ethz.ch/software/MOLMOL/unix-gzip/molmol-2k.2.0-doc.tar.gz https://dev.gentoo.org/~soap/distfiles/molmol-patches.tbz2 https://dev.gentoo.org/~pacho/molmol/molmol_256.png -_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 -_md5_=296a901f0cebad008d80d5ed9541f5cb +_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 +_md5_=6d3466520a79f1ee0465d1975d83d7a3 diff --git a/metadata/md5-cache/sci-chemistry/molsketch-0.7.2-r1 b/metadata/md5-cache/sci-chemistry/molsketch-0.7.2-r1 index f249fdea3d90..5691499ab020 100644 --- a/metadata/md5-cache/sci-chemistry/molsketch-0.7.2-r1 +++ b/metadata/md5-cache/sci-chemistry/molsketch-0.7.2-r1 @@ -11,5 +11,5 @@ LICENSE=GPL-2 RDEPEND=>=sci-chemistry/openbabel-3:= dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5 SLOT=0 SRC_URI=https://downloads.sourceforge.net/project/molsketch/Molsketch/Molsketch-0.7.2-src.tar.gz -_eclasses_=cmake c7c9a62d6232cac66d4ea32d575c3e7c flag-o-matic d309b9713dfc18e754cba88d3ba69653 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 258a4691fd43b8cd5814cb1acbb3c7df flag-o-matic e503ea5acc20410237ba33ec3f7c857d multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=97dc879eb5f859808ab23e82f7e63188 diff --git a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 index f01a8b083d76..dc39324fd5aa 100644 --- a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 +++ b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 @@ -1,4 +1,4 @@ -BDEPEND=>=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 virtual/fortran +BDEPEND=>=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 virtual/fortran DEFINED_PHASES=compile configure install prepare setup DEPEND=dev-libs/libf2c virtual/fortran DESCRIPTION=Autotooled, updated version of a powerful, fast semi-empirical package @@ -11,5 +11,5 @@ LICENSE=public-domain RDEPEND=dev-libs/libf2c virtual/fortran SLOT=0 SRC_URI=http://www.bioinformatics.org/ghemical/download/current/mopac7-1.15.tar.gz http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d flag-o-matic d309b9713dfc18e754cba88d3ba69653 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 flag-o-matic e503ea5acc20410237ba33ec3f7c857d fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=9c2c3b3180ffe6cee9380ecbf8b8f29d diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 index 0ba6a50b0b44..af10e7a402da 100644 --- a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 +++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 @@ -1,4 +1,4 @@ -BDEPEND=dev-lang/perl app-alternatives/lex virtual/pkgconfig doc? ( app-text/doxygen media-gfx/graphviz ) >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 +BDEPEND=dev-lang/perl app-alternatives/lex virtual/pkgconfig doc? ( app-text/doxygen media-gfx/graphviz ) >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 DEFINED_PHASES=configure install postinst prepare test DEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 ) DESCRIPTION=The Massively Parallel Quantum Chemistry Program @@ -11,5 +11,5 @@ LICENSE=GPL-2 RDEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 ) SLOT=0 SRC_URI=https://downloads.sourceforge.net/mpqc/mpqc-2.3.1.tar.bz2 -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=311e41863133b8b4c7a09cc14d7000b2 diff --git a/metadata/md5-cache/sci-chemistry/mustang-3.2.2 b/metadata/md5-cache/sci-chemistry/mustang-3.2.2 index 0a7ff5a31d69..7a44aa773e8e 100644 --- a/metadata/md5-cache/sci-chemistry/mustang-3.2.2 +++ b/metadata/md5-cache/sci-chemistry/mustang-3.2.2 @@ -7,5 +7,5 @@ KEYWORDS=amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=BSD SLOT=0 SRC_URI=http://www.csse.monash.edu.au/~karun/mustang/mustang_v3.2.2.tgz -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=72b39ceaad63740f4488fd6f1fd3691e diff --git a/metadata/md5-cache/sci-chemistry/namd-2.10 b/metadata/md5-cache/sci-chemistry/namd-2.10 deleted file mode 100644 index e2e446efbc68..000000000000 --- a/metadata/md5-cache/sci-chemistry/namd-2.10 +++ /dev/null @@ -1,14 +0,0 @@ -DEFINED_PHASES=compile configure install nofetch postinst prepare -DEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= virtual/pkgconfig app-shells/tcsh -DESCRIPTION=A powerful and highly parallelized molecular dynamics code -EAPI=6 -HOMEPAGE=http://www.ks.uiuc.edu/Research/namd/ -INHERIT=multilib toolchain-funcs flag-o-matic -KEYWORDS=~amd64 -LICENSE=namd -RDEPEND=>=sys-cluster/charm-6.5.1-r2 sci-libs/fftw:3.0 dev-lang/tcl:0= -RESTRICT=fetch -SLOT=0 -SRC_URI=NAMD_2.10_Source.tar.gz -_eclasses_=eqawarn c9847c43b3253a276ae2eabddedab3d7 flag-o-matic d309b9713dfc18e754cba88d3ba69653 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 -_md5_=9ececc89d028148efb247f92866214f8 diff --git a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 deleted file mode 100644 index cfc28faa3693..000000000000 --- a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 +++ /dev/null @@ -1,17 +0,0 @@ -BDEPEND=dev-lang/perl doc? ( app-text/doxygen dev-texlive/texlive-latex ) perl? ( >=dev-lang/swig-2 ) python? ( >=dev-lang/swig-2 ) test? ( dev-lang/python ) app-alternatives/ninja >=dev-build/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 ) 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/ -INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwidgets xdg-utils -IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_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 ) 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 c7c9a62d6232cac66d4ea32d575c3e7c desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 8a28fa6d3e3bc96ff8a7eff2badbe71f python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=ae4a96421ed1fc425728304cf498e389 diff --git a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225-r1 b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225-r1 index d7fb59c16218..7de11e3afda6 100644 --- a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225-r1 +++ b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225-r1 @@ -1,17 +1,17 @@ BDEPEND=dev-lang/perl doc? ( app-text/doxygen dev-texlive/texlive-latex ) perl? ( >=dev-lang/swig-2 ) python? ( >=dev-lang/swig-2 ) test? ( dev-lang/python ) app-alternatives/ninja >=dev-build/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 ) python_targets_python3_11? ( dev-lang/python:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.2-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 ) python_targets_python3_12? ( dev-lang/python:3.12 ) ) wxwidgets? ( x11-libs/wxGTK:3.2-gtk3[X] ) perl? ( dev-lang/perl ) DESCRIPTION=Interconverts file formats used in molecular modeling EAPI=8 HOMEPAGE=https://openbabel.org/ https://github.com/openbabel/openbabel/ INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwidgets xdg-utils -IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11 +IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11 python_targets_python3_12 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 ) python_targets_python3_11? ( dev-lang/python:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.2-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 ) +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 ) python_targets_python3_12? ( dev-lang/python:3.12 ) ) wxwidgets? ( x11-libs/wxGTK:3.2-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl ) +REQUIRED_USE=python? ( || ( python_targets_python3_10 python_targets_python3_11 python_targets_python3_12 ) ) 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 c7c9a62d6232cac66d4ea32d575c3e7c desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 8a28fa6d3e3bc96ff8a7eff2badbe71f python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=827f2fe855e8a85b100827fa1fd377ff +_eclasses_=cmake 258a4691fd43b8cd5814cb1acbb3c7df desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 c1fc393cd1e72f093b4838e29d27918c python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 +_md5_=1647cef4ecf923608c5e83b1c506d402 diff --git a/metadata/md5-cache/sci-chemistry/openbabel-9999 b/metadata/md5-cache/sci-chemistry/openbabel-9999 index b96624fa62a9..43b2fc18fd1b 100644 --- a/metadata/md5-cache/sci-chemistry/openbabel-9999 +++ b/metadata/md5-cache/sci-chemistry/openbabel-9999 @@ -1,17 +1,17 @@ BDEPEND=dev-lang/perl doc? ( app-text/doxygen dev-texlive/texlive-latex ) perl? ( >=dev-lang/swig-2 ) python? ( >=dev-lang/swig-2 ) test? ( dev-lang/python ) app-alternatives/ninja >=dev-build/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 ) python_targets_python3_11? ( dev-lang/python:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.2-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 ) python_targets_python3_12? ( dev-lang/python:3.12 ) ) wxwidgets? ( x11-libs/wxGTK:3.2-gtk3[X] ) perl? ( dev-lang/perl ) DESCRIPTION=Interconverts file formats used in molecular modeling EAPI=8 -HOMEPAGE=https://openbabel.org/ +HOMEPAGE=https://openbabel.org/ https://github.com/openbabel/openbabel/ INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwidgets xdg-utils git-r3 -IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11 +IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11 python_targets_python3_12 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 ) python_targets_python3_11? ( dev-lang/python:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.2-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 ) +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 ) python_targets_python3_12? ( dev-lang/python:3.12 ) ) wxwidgets? ( x11-libs/wxGTK:3.2-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl ) +REQUIRED_USE=python? ( || ( python_targets_python3_10 python_targets_python3_11 python_targets_python3_12 ) ) 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 c7c9a62d6232cac66d4ea32d575c3e7c desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic d309b9713dfc18e754cba88d3ba69653 git-r3 fbb2889c81f3a05910c1524db69425c1 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 8a28fa6d3e3bc96ff8a7eff2badbe71f python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=e993c1bcc1653108fde1c4a9feb22f37 +_eclasses_=cmake 258a4691fd43b8cd5814cb1acbb3c7df desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic e503ea5acc20410237ba33ec3f7c857d git-r3 875eb471682d3e1f18da124be97dcc81 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 c1fc393cd1e72f093b4838e29d27918c python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils baea6080dd821f5562d715887954c9d3 +_md5_=1647cef4ecf923608c5e83b1c506d402 diff --git a/metadata/md5-cache/sci-chemistry/pdbcat-1.3-r1 b/metadata/md5-cache/sci-chemistry/pdbcat-1.3-r1 index 31fdd78dcde1..f0e444b5f392 100644 --- a/metadata/md5-cache/sci-chemistry/pdbcat-1.3-r1 +++ b/metadata/md5-cache/sci-chemistry/pdbcat-1.3-r1 @@ -8,5 +8,5 @@ KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=free-noncomm SLOT=0 SRC_URI=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/files/pdbcat-1.3.tar.gz -_eclasses_=cmake c7c9a62d6232cac66d4ea32d575c3e7c flag-o-matic d309b9713dfc18e754cba88d3ba69653 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 258a4691fd43b8cd5814cb1acbb3c7df flag-o-matic e503ea5acc20410237ba33ec3f7c857d multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=468efdc0276a4b9606711e3ba7fc6d8f diff --git a/metadata/md5-cache/sci-chemistry/pdbmat-3.89-r1 b/metadata/md5-cache/sci-chemistry/pdbmat-3.89-r1 index 6abbe0d33a30..27f7003beba6 100644 --- a/metadata/md5-cache/sci-chemistry/pdbmat-3.89-r1 +++ b/metadata/md5-cache/sci-chemistry/pdbmat-3.89-r1 @@ -11,5 +11,5 @@ LICENSE=CeCILL-2 RDEPEND=virtual/fortran SLOT=0 SRC_URI=http://ecole.modelisation.free.fr/enm2011.tar.gz -> pdbmat-3.89.tar.gz -_eclasses_=cmake c7c9a62d6232cac66d4ea32d575c3e7c flag-o-matic d309b9713dfc18e754cba88d3ba69653 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 258a4691fd43b8cd5814cb1acbb3c7df flag-o-matic e503ea5acc20410237ba33ec3f7c857d fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=d9c289801412f2ea4102c59abe9d1df7 diff --git a/metadata/md5-cache/sci-chemistry/probe-2.13.110909 b/metadata/md5-cache/sci-chemistry/probe-2.13.110909 index 0a6efc95b956..939d342d5034 100644 --- a/metadata/md5-cache/sci-chemistry/probe-2.13.110909 +++ b/metadata/md5-cache/sci-chemistry/probe-2.13.110909 @@ -8,5 +8,5 @@ KEYWORDS=amd64 ~ppc ~x86 ~amd64-linux ~x86-linux ~x64-macos LICENSE=richardson SLOT=0 SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/probe/probe.2.13.110909.src.zip -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=20d4004785d7f5c28f6c68221735d7bc diff --git a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 deleted file mode 100644 index 0121529745ec..000000000000 --- a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 +++ /dev/null @@ -1,15 +0,0 @@ -DEFINED_PHASES=compile install nofetch setup -DEPEND=app-shells/tcsh virtual/fortran -DESCRIPTION=Checks the stereochemical quality of a protein structure -EAPI=6 -HOMEPAGE=https://www.ebi.ac.uk/thornton-srv/software/PROCHECK -INHERIT=fortran-2 multilib toolchain-funcs versionator -IUSE=doc -KEYWORDS=amd64 ~x86 ~amd64-linux ~x86-linux -LICENSE=procheck -RDEPEND=app-shells/tcsh virtual/fortran -RESTRICT=fetch -SLOT=0 -SRC_URI=procheck-3.5.4.tar.gz procheck-3.5.4-README doc? ( procheck-3.5.4-manual.tar.gz ) -_eclasses_=estack c61c368a76fdf3a82fdf8dbaebea3804 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 versionator d3fb3ba33acc3bbbdc4d7970227c100d -_md5_=75245a4eea0845ebbcc0a7f906440430 diff --git a/metadata/md5-cache/sci-chemistry/propka-3.4.0 b/metadata/md5-cache/sci-chemistry/propka-3.4.0 index 63ed66c4142d..75818df3e5fa 100644 --- a/metadata/md5-cache/sci-chemistry/propka-3.4.0 +++ b/metadata/md5-cache/sci-chemistry/propka-3.4.0 @@ -12,5 +12,5 @@ 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 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 8a28fa6d3e3bc96ff8a7eff2badbe71f python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 c1fc393cd1e72f093b4838e29d27918c python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=df9c2734ddc4d3199b2a42247a6a9496 diff --git a/metadata/md5-cache/sci-chemistry/propka-3.5.1 b/metadata/md5-cache/sci-chemistry/propka-3.5.1 new file mode 100644 index 000000000000..dd97b49c8077 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/propka-3.5.1 @@ -0,0 +1,16 @@ +BDEPEND=test? ( dev-python/numpy[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/pytest-7.4.4[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] ) python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) python_targets_python3_12? ( dev-lang/python:3.12 ) >=dev-python/gpep517-15[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] >=dev-python/setuptools-69.0.3[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?] +DEFINED_PHASES=compile configure install prepare test +DESCRIPTION=pKa-value prediction of ionizable groups in protein and protein-ligand complexes +EAPI=8 +HOMEPAGE=https://github.com/jensengroup/propka +INHERIT=distutils-r1 +IUSE=test python_targets_python3_10 python_targets_python3_11 python_targets_python3_12 +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_12(-)?] python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) python_targets_python3_12? ( dev-lang/python:3.12 ) +REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 python_targets_python3_12 ) +RESTRICT=!test? ( test ) +SLOT=0 +SRC_URI=https://github.com/jensengroup/propka/archive/refs/tags/v3.5.1.tar.gz -> propka-3.5.1.gh.tar.gz +_eclasses_=distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 c1fc393cd1e72f093b4838e29d27918c python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 +_md5_=5449bec7e912fc71489169699c090921 diff --git a/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 index 16820e7e95d7..9e522292521d 100644 --- a/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 +++ b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 @@ -1,4 +1,4 @@ -BDEPEND=dev-util/byacc virtual/pkgconfig test? ( dev-lang/perl ) >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 virtual/fortran +BDEPEND=dev-util/byacc virtual/pkgconfig test? ( dev-lang/perl ) >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 virtual/fortran DEFINED_PHASES=compile configure install prepare setup test DEPEND=!sci-visualization/extrema virtual/blas virtual/lapack >=sci-libs/libint-1.1.4:1 virtual/fortran DESCRIPTION=Suite for ab initio quantum chemistry computing various molecular properties @@ -12,5 +12,5 @@ RDEPEND=!sci-visualization/extrema virtual/blas virtual/lapack >=sci-libs/libint RESTRICT=test SLOT=0 SRC_URI=https://downloads.sourceforge.net/psicode/psi-3.4.0.tar.gz -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=bc48e6e9f06a6ea7626b193b3d4cf3f6 diff --git a/metadata/md5-cache/sci-chemistry/pymol-3.0.0 b/metadata/md5-cache/sci-chemistry/pymol-3.0.0 index 3cbb81ee8619..bfd008c7b4b1 100644 --- a/metadata/md5-cache/sci-chemistry/pymol-3.0.0 +++ b/metadata/md5-cache/sci-chemistry/pymol-3.0.0 @@ -13,5 +13,5 @@ RDEPEND=dev-cpp/msgpack-cxx dev-libs/mmtf-cpp dev-python/pyopengl[python_targets REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 python_targets_python3_12 ) 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/v3.0.0.tar.gz -> pymol-3.0.0.tar.gz -_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d distutils-r1 5400d21736d8621562bf93be4fa98eec flag-o-matic d309b9713dfc18e754cba88d3ba69653 multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 8a28fa6d3e3bc96ff8a7eff2badbe71f python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d distutils-r1 39c571155ace3dd926fe0d6440cf0a50 flag-o-matic e503ea5acc20410237ba33ec3f7c857d multibuild d67e78a235f541871c7dfe4cf7931489 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 c1fc393cd1e72f093b4838e29d27918c python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=bfedc24544735cdbc2b161b08589c5b7 diff --git a/metadata/md5-cache/sci-chemistry/raster3d-3.0.6-r1 b/metadata/md5-cache/sci-chemistry/raster3d-3.0.6-r1 index 3944d2759c88..de83d8f979e4 100644 --- a/metadata/md5-cache/sci-chemistry/raster3d-3.0.6-r1 +++ b/metadata/md5-cache/sci-chemistry/raster3d-3.0.6-r1 @@ -11,5 +11,5 @@ LICENSE=Artistic-2 RDEPEND=gd? ( media-libs/gd[jpeg,png] ) tiff? ( media-libs/tiff:= ) virtual/fortran SLOT=0 SRC_URI=http://www.bmsc.washington.edu/raster3d/Raster3D_3.0-6.tar.gz -> Raster3D_3.0-6.tar -_eclasses_=flag-o-matic d309b9713dfc18e754cba88d3ba69653 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 prefix eab3c99d77fe00506c109c8a736186f7 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=flag-o-matic e503ea5acc20410237ba33ec3f7c857d fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 prefix eab3c99d77fe00506c109c8a736186f7 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=c88cc114475433720a159ba8343b0b8f diff --git a/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 index a771b8cd5d7b..f09d83d5fb7f 100644 --- a/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 +++ b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 @@ -7,5 +7,5 @@ KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=richardson SLOT=0 SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/suitename/suitename.0.3.070628.src.tgz -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=33cf8423353d46b4e660655c6d0743c1 diff --git a/metadata/md5-cache/sci-chemistry/surf-1.0 b/metadata/md5-cache/sci-chemistry/surf-1.0 index 90ac8bb81911..7b1f810c3005 100644 --- a/metadata/md5-cache/sci-chemistry/surf-1.0 +++ b/metadata/md5-cache/sci-chemistry/surf-1.0 @@ -8,5 +8,5 @@ LICENSE=SURF RDEPEND=!www-client/surf SLOT=0 SRC_URI=http://www.ks.uiuc.edu/Research/vmd/extsrcs/surf.tar.Z -> surf-1.0.tar.Z -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=11ef3a5d77f012e8aec756eb7f11be56 diff --git a/metadata/md5-cache/sci-chemistry/theseus-3.3.0-r1 b/metadata/md5-cache/sci-chemistry/theseus-3.3.0-r1 index 4366487a98f5..4300116dbffe 100644 --- a/metadata/md5-cache/sci-chemistry/theseus-3.3.0-r1 +++ b/metadata/md5-cache/sci-chemistry/theseus-3.3.0-r1 @@ -11,5 +11,5 @@ LICENSE=GPL-3 RDEPEND=sci-libs/gsl:= || ( sci-biology/clustalw:2 sci-biology/kalign sci-biology/mafft sci-biology/muscle sci-biology/probcons sci-biology/t-coffee ) SLOT=0 SRC_URI=http://www.theseus3d.org/src/theseus_3.3.0.tar.gz -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 _md5_=73500632580c5b555fb757d3fbbc6005 diff --git a/metadata/md5-cache/sci-chemistry/threeV-1.2-r1 b/metadata/md5-cache/sci-chemistry/threeV-1.2-r2 index a3eae0de434b..77d1f4ad6368 100644 --- a/metadata/md5-cache/sci-chemistry/threeV-1.2-r1 +++ b/metadata/md5-cache/sci-chemistry/threeV-1.2-r2 @@ -1,6 +1,6 @@ -DEFINED_PHASES=install prepare +DEFINED_PHASES=prepare DESCRIPTION=3V: Voss Volume Voxelator -EAPI=6 +EAPI=8 HOMEPAGE=http://geometry.molmovdb.org/3v/ INHERIT=toolchain-funcs KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux @@ -8,5 +8,5 @@ LICENSE=GPL-2 PDEPEND=sci-chemistry/msms-bin SLOT=0 SRC_URI=http://geometry.molmovdb.org/3v/3v-1.2.tgz -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 -_md5_=5ca6079a9193f10a01a27b188fadd411 +_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 +_md5_=9b48892b9b97ad2b9cf5f7fa52c9adf5 diff --git a/metadata/md5-cache/sci-chemistry/tinker-8.2.1-r1 b/metadata/md5-cache/sci-chemistry/tinker-8.2.1-r1 index 2ab5c8040516..96340240207a 100644 --- a/metadata/md5-cache/sci-chemistry/tinker-8.2.1-r1 +++ b/metadata/md5-cache/sci-chemistry/tinker-8.2.1-r1 @@ -12,5 +12,5 @@ RDEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar ! RESTRICT=mirror SLOT=0 SRC_URI=https://dasher.wustl.edu/tinker/downloads/tinker-8.2.1.tar.gz -_eclasses_=flag-o-matic d309b9713dfc18e754cba88d3ba69653 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea java-pkg-2 b6d755b4f6afabfd933932be28b46368 java-utils-2 b346c3901e71ba37137bae0b25b00221 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 -_md5_=6d70b9199ffe5bef7b7377329ae8781e +_eclasses_=flag-o-matic e503ea5acc20410237ba33ec3f7c857d fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea java-pkg-2 b6d755b4f6afabfd933932be28b46368 java-utils-2 b2e92a8220dc7b1bd2062ca11774798a multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 +_md5_=8ba346ed5dc6eb90c98f78c539dab295 diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1 b/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1 index e9579aa12f88..b48f318d38ff 100644 --- a/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1 +++ b/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1 @@ -11,5 +11,5 @@ LICENSE=tm-align RDEPEND=virtual/fortran SLOT=0 SRC_URI=http://zhanglab.ccmb.med.umich.edu/TM-align/TMtools20150914.tar.gz -_eclasses_=cmake c7c9a62d6232cac66d4ea32d575c3e7c flag-o-matic d309b9713dfc18e754cba88d3ba69653 fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 +_eclasses_=cmake 258a4691fd43b8cd5814cb1acbb3c7df flag-o-matic e503ea5acc20410237ba33ec3f7c857d fortran-2 40c4450f1c4ecb2ee694d96e1958d4ea multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 _md5_=cfa1e63224fea8203e5337a0c285b503 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 c49345a46b30..f9346284c04d 100644 --- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 @@ -1,18 +1,18 @@ BDEPEND=virtual/pkgconfig dev-lang/swig DEFINED_PHASES=compile configure install nofetch postinst postrm preinst prepare setup -DEPEND=python_single_target_python3_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 ) +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_12? ( dev-lang/python:3.12 ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/numpy[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/numpy[python_targets_python3_12(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) DESCRIPTION=Visual Molecular Dynamics EAPI=8 HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/ IDEPEND=dev-util/desktop-file-utils x11-misc/shared-mime-info INHERIT=cuda desktop 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 +IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux LICENSE=vmd -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 ) +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_12? ( dev-lang/python:3.12 ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/numpy[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/numpy[python_targets_python3_12(-)] ) >=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 python_single_target_python3_12 ) 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 283d0f298f6c196c755a0f8d50daca85 desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic d309b9713dfc18e754cba88d3ba69653 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe prefix eab3c99d77fe00506c109c8a736186f7 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=1c922abe9e5c8d4e07ecb483261843c3 +_eclasses_=cuda 283d0f298f6c196c755a0f8d50daca85 desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic e503ea5acc20410237ba33ec3f7c857d multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe prefix eab3c99d77fe00506c109c8a736186f7 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_md5_=1df5bb32cce16a794d8a24f52093ec16 diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57-r1 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57-r1 new file mode 100644 index 000000000000..e56f8f0a1c77 --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57-r1 @@ -0,0 +1,18 @@ +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 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) python_single_target_python3_10? ( >=dev-python/numpy-2[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/numpy-2[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/numpy-2[python_targets_python3_12(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) +DESCRIPTION=Visual Molecular Dynamics +EAPI=8 +HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/ +IDEPEND=dev-util/desktop-file-utils x11-misc/shared-mime-info +INHERIT=cuda desktop 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 python_single_target_python3_12 +KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux +LICENSE=vmd +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_12? ( dev-lang/python:3.12 ) python_single_target_python3_10? ( >=dev-python/numpy-2[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/numpy-2[python_targets_python3_11(-)] ) python_single_target_python3_12? ( >=dev-python/numpy-2[python_targets_python3_12(-)] ) >=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 python_single_target_python3_12 ) +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 283d0f298f6c196c755a0f8d50daca85 desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic e503ea5acc20410237ba33ec3f7c857d multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe prefix eab3c99d77fe00506c109c8a736186f7 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg 4a14c5c24f121e7da66e5aab4a168c6e xdg-utils baea6080dd821f5562d715887954c9d3 +_md5_=25a1afc32c9b1dafe048c3b9cdb71b86 diff --git a/metadata/md5-cache/sci-chemistry/votca-2022.1-r1 b/metadata/md5-cache/sci-chemistry/votca-2022.1-r1 index 0f9becbdb218..ab7f1c23150d 100644 --- a/metadata/md5-cache/sci-chemistry/votca-2022.1-r1 +++ b/metadata/md5-cache/sci-chemistry/votca-2022.1-r1 @@ -1,17 +1,17 @@ BDEPEND=virtual/pkgconfig app-alternatives/ninja >=dev-build/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 ) 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 +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 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) 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 +EAPI=8 HOMEPAGE=https://www.votca.org/ INHERIT=bash-completion-r1 cmake python-single-r1 -IUSE=+gromacs test python_single_target_python3_10 python_single_target_python3_11 +IUSE=+gromacs test python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12 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 ) 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 ) +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 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) 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 python_single_target_python3_12 ) 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 c7c9a62d6232cac66d4ea32d575c3e7c eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic d309b9713dfc18e754cba88d3ba69653 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=fb03b8ed2514b1035986838f3ae5f5d7 +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 258a4691fd43b8cd5814cb1acbb3c7df flag-o-matic e503ea5acc20410237ba33ec3f7c857d multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 +_md5_=ebbc3bd309f67bb7d6b8e7fb8f428a32 diff --git a/metadata/md5-cache/sci-chemistry/votca-9999 b/metadata/md5-cache/sci-chemistry/votca-9999 index 116e058a8e17..3a09d089697b 100644 --- a/metadata/md5-cache/sci-chemistry/votca-9999 +++ b/metadata/md5-cache/sci-chemistry/votca-9999 @@ -1,16 +1,16 @@ BDEPEND=virtual/pkgconfig app-alternatives/ninja >=dev-build/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 ) 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 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) 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 +EAPI=8 HOMEPAGE=https://www.votca.org/ INHERIT=bash-completion-r1 cmake python-single-r1 git-r3 -IUSE=+gromacs test +python_single_target_python3_10 +IUSE=+gromacs test python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12 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 ) 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 ) +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 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) 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 python_single_target_python3_12 ) RESTRICT=!test? ( test ) SLOT=0 -_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake c7c9a62d6232cac66d4ea32d575c3e7c eapi8-dosym 5ac4857ad078256d939c44f7c64197a9 flag-o-matic d309b9713dfc18e754cba88d3ba69653 git-r3 fbb2889c81f3a05910c1524db69425c1 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 8b220bbce5c119fb1d4d5c2f5588f3ea toolchain-funcs e56c7649b804f051623c8bc1a1c44084 xdg-utils baea6080dd821f5562d715887954c9d3 -_md5_=9bad3e5cfce3d5ec6e1ebfb769dd34dc +_eclasses_=bash-completion-r1 f5e7a020fd9c741740756aac61bf75ff cmake 258a4691fd43b8cd5814cb1acbb3c7df flag-o-matic e503ea5acc20410237ba33ec3f7c857d git-r3 875eb471682d3e1f18da124be97dcc81 multilib c19072c3cd7ac5cb21de013f7e9832e0 multiprocessing 30ead54fa2e2b5f9cd4e612ffc34d0fe ninja-utils 2df4e452cea39a9ec8fb543ce059f8d6 python-single-r1 f7abe75c203a988aa9b5c460b6c7d0f1 python-utils-r1 6881b056477c23167d9a6b33e146374e toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 xdg-utils baea6080dd821f5562d715887954c9d3 +_md5_=ebbc3bd309f67bb7d6b8e7fb8f428a32 diff --git a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 deleted file mode 100644 index b92abbe38143..000000000000 --- a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 +++ /dev/null @@ -1,14 +0,0 @@ -BDEPEND=virtual/pkgconfig >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 -DEFINED_PHASES=configure install prepare -DEPEND=media-libs/glew:0= media-libs/mesa[X(+)] x11-libs/wxGTK:3.0[X,opengl] -DESCRIPTION=Chemical 3D graphics program with GAMESS input builder -EAPI=7 -HOMEPAGE=http://www.scl.ameslab.gov/MacMolPlt/ -INHERIT=autotools desktop toolchain-funcs wxwidgets -KEYWORDS=~amd64 ~x86 -LICENSE=GPL-2 -RDEPEND=media-libs/glew:0= media-libs/mesa[X(+)] x11-libs/wxGTK:3.0[X,opengl] -SLOT=0 -SRC_URI=https://wxmacmolplt.googlecode.com/files/wxmacmolplt-7.5.tar.gz -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic d309b9713dfc18e754cba88d3ba69653 gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 -_md5_=79066879c49f635ae7f6925ca500e74a diff --git a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.7.2 b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.7.2 index 8b14403405c8..c5dd2394e6bd 100644 --- a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.7.2 +++ b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.7.2 @@ -1,4 +1,4 @@ -BDEPEND=virtual/pkgconfig >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 +BDEPEND=virtual/pkgconfig >=app-portage/elt-patches-20240116 sys-devel/gnuconfig || ( >=dev-build/automake-1.17-r1:1.17 >=dev-build/automake-1.16.5:1.16 ) || ( >=dev-build/autoconf-2.72-r1:2.72 >=dev-build/autoconf-2.71-r6:2.71 ) >=dev-build/libtool-2.4.7-r3 DEFINED_PHASES=configure install prepare DEPEND=media-libs/glew:0= media-libs/mesa[X(+)] x11-libs/wxGTK:3.2-gtk3[X,opengl] DESCRIPTION=Chemical 3D graphics program with GAMESS input builder @@ -10,5 +10,5 @@ LICENSE=GPL-2 RDEPEND=media-libs/glew:0= media-libs/mesa[X(+)] x11-libs/wxGTK:3.2-gtk3[X,opengl] SLOT=0 SRC_URI=https://github.com/brettbode/wxmacmolplt/archive/refs/tags/v7.7.2.tar.gz -> wxmacmolplt-7.7.2.tar.gz -_eclasses_=autotools dc70c1dc473b68317fc4a86f5fbfc57d desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic d309b9713dfc18e754cba88d3ba69653 gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 +_eclasses_=autotools d12ccbad07b44642a75ac97a3334d8e0 desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic e503ea5acc20410237ba33ec3f7c857d gnuconfig a397adda6984a4c423e28ac274c1ba98 libtool 5f49a16f67f81bdf873e3d1f10b10001 multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs 0c713337f7872f1a002cecaaea9bef73 wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 _md5_=6bec686cac44bb650966071777126e7b diff --git a/metadata/md5-cache/sci-chemistry/xds-bin-20170930 b/metadata/md5-cache/sci-chemistry/xds-bin-20170930 deleted file mode 100644 index 054cfc31c22c..000000000000 --- a/metadata/md5-cache/sci-chemistry/xds-bin-20170930 +++ /dev/null @@ -1,10 +0,0 @@ -DEFINED_PHASES=install postinst unpack -DESCRIPTION=Software for processing single-crystal X-ray monochromatic diffraction data -EAPI=6 -HOMEPAGE=http://xds.mpimf-heidelberg.mpg.de/ -IUSE=smp -KEYWORDS=-* ~amd64 -LICENSE=free-noncomm -SLOT=0 -SRC_URI=ftp://ftp.mpimf-heidelberg.mpg.de/pub/kabsch/XDS-INTEL64_Linux_x86_64.tar.gz -> XDS-INTEL64_Linux_x86_64-20170930.tar.gz ftp://ftp.mpimf-heidelberg.mpg.de/pub/kabsch/XDS_html_doc.tar.gz -> XDS_html_doc-20170930.tar.gz -_md5_=45025c807cc9ff1fae4013e124b7b388 diff --git a/metadata/md5-cache/sci-chemistry/xds-bin-20240831 b/metadata/md5-cache/sci-chemistry/xds-bin-20240831 new file mode 100644 index 000000000000..7743d4b4bc5b --- /dev/null +++ b/metadata/md5-cache/sci-chemistry/xds-bin-20240831 @@ -0,0 +1,11 @@ +DEFINED_PHASES=install nofetch postinst unpack +DESCRIPTION=Software for processing single-crystal X-ray monochromatic diffraction data +EAPI=8 +HOMEPAGE=https://xds.mr.mpg.de +IUSE=smp +KEYWORDS=-* ~amd64 +LICENSE=free-noncomm +RESTRICT=fetch +SLOT=0 +SRC_URI=https://xds.mr.mpg.de/XDS-INTEL64_Linux_x86_64.tar.gz -> XDS-INTEL64_Linux_x86_64-20240831.tar.gz https://xds.mr.mpg.de/XDS_html_doc.tar.gz -> XDS_html_doc-20240831.tar.gz +_md5_=2bb6d85741050bcb06402fe335668ee2 diff --git a/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 b/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 deleted file mode 100644 index 3ddbbb4fddf8..000000000000 --- a/metadata/md5-cache/sci-chemistry/xyza2pipe-20121001 +++ /dev/null @@ -1,11 +0,0 @@ -DEFINED_PHASES=install prepare -DESCRIPTION=Cross conversion environment of NMR spectra -EAPI=6 -HOMEPAGE=http://fermi.pharm.hokudai.ac.jp/olivia/api/index.php/Xyza2pipe_src -INHERIT=toolchain-funcs -KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux -LICENSE=olivia -SLOT=0 -SRC_URI=http://fermi.pharm.hokudai.ac.jp/olivia/documents/xyza2pipe.tgz -> xyza2pipe-20121001.tgz -_eclasses_=multilib c19072c3cd7ac5cb21de013f7e9832e0 toolchain-funcs e56c7649b804f051623c8bc1a1c44084 -_md5_=d056cc95701850434eb72d01e71d2ea5 |