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-rw-r--r--metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.114
-rw-r--r--metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.214
-rw-r--r--metadata/md5-cache/sci-chemistry/GromacsWrapper-0.5.114
-rw-r--r--metadata/md5-cache/sci-chemistry/GromacsWrapper-0.7.014
-rw-r--r--metadata/md5-cache/sci-chemistry/Manifest.gzbin26958 -> 26804 bytes
-rw-r--r--metadata/md5-cache/sci-chemistry/ParmEd-3.0.314
6 files changed, 28 insertions, 42 deletions
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.1 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.1
deleted file mode 100644
index 2cd955f94b67..000000000000
--- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.1
+++ /dev/null
@@ -1,14 +0,0 @@
-DEFINED_PHASES=compile configure install prepare test unpack
-DEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
-DESCRIPTION=Python framework for Gromacs
-EAPI=5
-HOMEPAGE=https://orbeckst.github.com/GromacsWrapper/
-IUSE=python_targets_python2_7
-KEYWORDS=~amd64 ~x86
-LICENSE=GPL-3 LGPL-3
-RDEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
-REQUIRED_USE=|| ( python_targets_python2_7 )
-SLOT=0
-SRC_URI=https://github.com/orbeckst/GromacsWrapper/archive/release-0.3.1.tar.gz -> GromacsWrapper-0.3.1.tar.gz
-_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 8595c9c7530ac3963f3aa0d77aa7e2d8 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multibuild 40fe59465edacd730c644ec2bc197809 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 ce1cd23cfdc1848e8e32743efe34f299 python-utils-r1 12114a2a9aab35b93efc037a196b3234 toolchain-funcs e4a9360924c5ce9f52e61342cde58512 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf vcs-snapshot b77011b62e2053c646ad720defe6d921 xdg-utils 89bb9f083a2590d9b447fd0b78a96186
-_md5_=391de03515f3c8a5dd2933589fd4195a
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.2 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.2
deleted file mode 100644
index 60d3acc4a3c9..000000000000
--- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.3.2
+++ /dev/null
@@ -1,14 +0,0 @@
-DEFINED_PHASES=compile configure install prepare test unpack
-DEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
-DESCRIPTION=Python framework for Gromacs
-EAPI=5
-HOMEPAGE=https://orbeckst.github.com/GromacsWrapper/
-IUSE=python_targets_python2_7
-KEYWORDS=~amd64 ~x86
-LICENSE=GPL-3 LGPL-3
-RDEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
-REQUIRED_USE=|| ( python_targets_python2_7 )
-SLOT=0
-SRC_URI=https://github.com/orbeckst/GromacsWrapper/archive/release-0.3.2.tar.gz -> GromacsWrapper-0.3.2.tar.gz
-_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 8595c9c7530ac3963f3aa0d77aa7e2d8 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multibuild 40fe59465edacd730c644ec2bc197809 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 ce1cd23cfdc1848e8e32743efe34f299 python-utils-r1 12114a2a9aab35b93efc037a196b3234 toolchain-funcs e4a9360924c5ce9f52e61342cde58512 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf vcs-snapshot b77011b62e2053c646ad720defe6d921 xdg-utils 89bb9f083a2590d9b447fd0b78a96186
-_md5_=33af38381822cf4cbc69c643ed3b6525
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.5.1 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.5.1
deleted file mode 100644
index 1fa8ab0e9b38..000000000000
--- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.5.1
+++ /dev/null
@@ -1,14 +0,0 @@
-DEFINED_PHASES=compile configure install prepare test unpack
-DEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
-DESCRIPTION=Python framework for Gromacs
-EAPI=6
-HOMEPAGE=https://orbeckst.github.com/GromacsWrapper/
-IUSE=python_targets_python2_7
-KEYWORDS=~amd64 ~x86
-LICENSE=GPL-3 LGPL-3
-RDEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=dev-python/RecSQL-0.3[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
-REQUIRED_USE=|| ( python_targets_python2_7 )
-SLOT=0
-SRC_URI=https://github.com/orbeckst/GromacsWrapper/archive/release-0.5.1.tar.gz -> GromacsWrapper-0.5.1.tar.gz
-_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 8595c9c7530ac3963f3aa0d77aa7e2d8 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multibuild 40fe59465edacd730c644ec2bc197809 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 ce1cd23cfdc1848e8e32743efe34f299 python-utils-r1 12114a2a9aab35b93efc037a196b3234 toolchain-funcs e4a9360924c5ce9f52e61342cde58512 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf vcs-snapshot b77011b62e2053c646ad720defe6d921 xdg-utils 89bb9f083a2590d9b447fd0b78a96186
-_md5_=6474bf6d012709e361f4b195d481caef
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.7.0 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.7.0
new file mode 100644
index 000000000000..fca807f0587a
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.7.0
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare test unpack
+DEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/six[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)]
+DESCRIPTION=Python framework for Gromacs
+EAPI=6
+HOMEPAGE=https://gromacswrapper.readthedocs.io
+IUSE=python_targets_python2_7 python_targets_python3_5 python_targets_python3_6
+KEYWORDS=~amd64 ~x86
+LICENSE=GPL-3 LGPL-3
+RDEPEND=>=dev-python/matplotlib-0.91.3[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] >=sci-libs/scipy-0.9[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] dev-python/six[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_5 python_targets_python3_6 )
+SLOT=0
+SRC_URI=https://github.com/Becksteinlab/GromacsWrapper/archive/release-0.7.0.tar.gz -> GromacsWrapper-0.7.0.tar.gz
+_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 8595c9c7530ac3963f3aa0d77aa7e2d8 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multibuild 40fe59465edacd730c644ec2bc197809 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 ce1cd23cfdc1848e8e32743efe34f299 python-utils-r1 12114a2a9aab35b93efc037a196b3234 toolchain-funcs e4a9360924c5ce9f52e61342cde58512 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf vcs-snapshot b77011b62e2053c646ad720defe6d921 xdg-utils 89bb9f083a2590d9b447fd0b78a96186
+_md5_=a9d4690552f590503ce659c78737f079
diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz
index 3a80f676a82e..11d464dc0023 100644
--- a/metadata/md5-cache/sci-chemistry/Manifest.gz
+++ b/metadata/md5-cache/sci-chemistry/Manifest.gz
Binary files differ
diff --git a/metadata/md5-cache/sci-chemistry/ParmEd-3.0.3 b/metadata/md5-cache/sci-chemistry/ParmEd-3.0.3
new file mode 100644
index 000000000000..4faee59c41a8
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/ParmEd-3.0.3
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare test unpack
+DEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)]
+DESCRIPTION=Parameter/topology editor and molecular simulator
+EAPI=6
+HOMEPAGE=https://parmed.github.io/ParmEd/html/index.html
+IUSE=python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6
+KEYWORDS=~amd64 ~x86
+LICENSE=LGPL-2
+RDEPEND=dev-python/numpy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] sci-libs/scipy[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)] python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) python_targets_python3_4? ( dev-lang/python:3.4 ) python_targets_python3_5? ( dev-lang/python:3.5 ) python_targets_python3_6? ( dev-lang/python:3.6 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,python_targets_python3_4(-)?,python_targets_python3_5(-)?,python_targets_python3_6(-)?,-python_single_target_python2_7(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-)]
+REQUIRED_USE=|| ( python_targets_python2_7 python_targets_python3_4 python_targets_python3_5 python_targets_python3_6 )
+SLOT=0
+SRC_URI=https://github.com/ParmEd/ParmEd/archive/3.0.3.tar.gz -> ParmEd-3.0.3.tar.gz
+_eclasses_=desktop b1d22ac8bdd4679ab79c71aca235009d distutils-r1 8595c9c7530ac3963f3aa0d77aa7e2d8 epatch a1bf4756dba418a7238f3be0cb010c54 estack 43ddf5aaffa7a8d0482df54d25a66a1f eutils 6e6c2737b59a4b982de6fb3ecefd87f8 ltprune 08f9e1d9ee0af8f5d9a7854efbcd8c0e multibuild 40fe59465edacd730c644ec2bc197809 multilib 97f470f374f2e94ccab04a2fb21d811e multiprocessing cac3169468f893670dac3e7cb940e045 preserve-libs ef207dc62baddfddfd39a164d9797648 python-r1 ce1cd23cfdc1848e8e32743efe34f299 python-utils-r1 12114a2a9aab35b93efc037a196b3234 toolchain-funcs e4a9360924c5ce9f52e61342cde58512 vcs-clean 2a0f74a496fa2b1552c4f3398258b7bf vcs-snapshot b77011b62e2053c646ad720defe6d921 xdg-utils 89bb9f083a2590d9b447fd0b78a96186
+_md5_=607b31630e78dc7fb3a8fa8e4c8aacd8
generated by cgit v1.2.3 (git 2.25.1) at 2024-07-27 19:34:46 +0000