summaryrefslogtreecommitdiff
path: root/metadata/md5-cache/sci-chemistry
diff options
context:
space:
mode:
Diffstat (limited to 'metadata/md5-cache/sci-chemistry')
-rw-r--r--metadata/md5-cache/sci-chemistry/Manifest.gzbin13540 -> 13532 bytes
-rw-r--r--metadata/md5-cache/sci-chemistry/aqua-3.2-r32
-rw-r--r--metadata/md5-cache/sci-chemistry/avogadro2-1.95.12
-rw-r--r--metadata/md5-cache/sci-chemistry/avogadro2-1.97.02
-rw-r--r--metadata/md5-cache/sci-chemistry/chemtool-1.6.142
-rw-r--r--metadata/md5-cache/sci-chemistry/molden-5.52
-rw-r--r--metadata/md5-cache/sci-chemistry/molden-6.9-r12
-rw-r--r--metadata/md5-cache/sci-chemistry/molmol-2k_p2-r82
-rw-r--r--metadata/md5-cache/sci-chemistry/namd-2.102
-rw-r--r--metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p2021022514
-rw-r--r--metadata/md5-cache/sci-chemistry/openbabel-999914
-rw-r--r--metadata/md5-cache/sci-chemistry/procheck-3.5.4-r32
-rw-r--r--metadata/md5-cache/sci-chemistry/pymol-2.5.0-r22
-rw-r--r--metadata/md5-cache/sci-chemistry/tinker-8.2.12
-rw-r--r--metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha572
-rw-r--r--metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r12
16 files changed, 27 insertions, 27 deletions
diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz
index e02b89338a0d..2a5274de3ecb 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/aqua-3.2-r3 b/metadata/md5-cache/sci-chemistry/aqua-3.2-r3
index 478ef2041e4b..7f99bbfce97b 100644
--- a/metadata/md5-cache/sci-chemistry/aqua-3.2-r3
+++ b/metadata/md5-cache/sci-chemistry/aqua-3.2-r3
@@ -11,5 +11,5 @@ 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_=desktop 7eb20ad915a0a318176d51bc2508ff5c edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 447396341f5f896d722e435a06f87a4f eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 fortran-2 72d28c6872beb1e7cb99684b0ae4715d ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib 5ca4e49abed8e3a2f7b56920eadee157 preserve-libs a8e50acee31b5759b4df1f7707cae54b strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b vcs-clean d271b7bc7e6a009758d7d4ef749174e3 wrapper 4a1902f969e5718126434fc35f3a0d9c
+_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 447396341f5f896d722e435a06f87a4f eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 fortran-2 72d28c6872beb1e7cb99684b0ae4715d ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib 5ca4e49abed8e3a2f7b56920eadee157 preserve-libs a8e50acee31b5759b4df1f7707cae54b strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b vcs-clean d271b7bc7e6a009758d7d4ef749174e3 wrapper 4a1902f969e5718126434fc35f3a0d9c
_md5_=448c80984b2fce68c6d5bef34cf480bc
diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1 b/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1
index 87ded9c569b2..6c0ebbef9ec9 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 449b4785acace35308fe747fc939bde1 desktop 7eb20ad915a0a318176d51bc2508ff5c docs 314e509c51630fb75f120d62a77d008c flag-o-matic 69394e25812406faa1f90edaf4969395 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 38c85b725d0467e51954ea921b6c104b toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b xdg 6024fbc93167fad782e2032933654857 xdg-utils ac0e315a3688929e34ac75b139e7349a
+_eclasses_=cmake 449b4785acace35308fe747fc939bde1 desktop 021728fdc1b03b36357dbc89489e0f0d docs 314e509c51630fb75f120d62a77d008c flag-o-matic 69394e25812406faa1f90edaf4969395 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 38c85b725d0467e51954ea921b6c104b toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b xdg 6024fbc93167fad782e2032933654857 xdg-utils ac0e315a3688929e34ac75b139e7349a
_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 fb7b174d53d5..083105dfbec4 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 449b4785acace35308fe747fc939bde1 desktop 7eb20ad915a0a318176d51bc2508ff5c docs 314e509c51630fb75f120d62a77d008c flag-o-matic 69394e25812406faa1f90edaf4969395 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 38c85b725d0467e51954ea921b6c104b toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b xdg 6024fbc93167fad782e2032933654857 xdg-utils ac0e315a3688929e34ac75b139e7349a
+_eclasses_=cmake 449b4785acace35308fe747fc939bde1 desktop 021728fdc1b03b36357dbc89489e0f0d docs 314e509c51630fb75f120d62a77d008c flag-o-matic 69394e25812406faa1f90edaf4969395 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 38c85b725d0467e51954ea921b6c104b toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b xdg 6024fbc93167fad782e2032933654857 xdg-utils ac0e315a3688929e34ac75b139e7349a
_md5_=4d16d471e4fb5d4f76219007401eda51
diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14
index 10ce98885409..0c1e2e77a42c 100644
--- a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14
+++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14
@@ -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 6dcd6b6a486e79928e1243ff9ba41fcc desktop 7eb20ad915a0a318176d51bc2508ff5c gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 241a8f577b9781a42a7421e53448a44e multilib 5ca4e49abed8e3a2f7b56920eadee157 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b
+_eclasses_=autotools 6dcd6b6a486e79928e1243ff9ba41fcc desktop 021728fdc1b03b36357dbc89489e0f0d gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 241a8f577b9781a42a7421e53448a44e multilib 5ca4e49abed8e3a2f7b56920eadee157 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b
_md5_=ec2a33e3b596e37ff37f7d67c3756378
diff --git a/metadata/md5-cache/sci-chemistry/molden-5.5 b/metadata/md5-cache/sci-chemistry/molden-5.5
index d17586e62c8c..ea020fef5f73 100644
--- a/metadata/md5-cache/sci-chemistry/molden-5.5
+++ b/metadata/md5-cache/sci-chemistry/molden-5.5
@@ -10,5 +10,5 @@ LICENSE=MOLDEN
RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran
SLOT=0
SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.5.tar.gz
-_eclasses_=desktop 7eb20ad915a0a318176d51bc2508ff5c edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 447396341f5f896d722e435a06f87a4f eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 69394e25812406faa1f90edaf4969395 fortran-2 72d28c6872beb1e7cb99684b0ae4715d ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib 5ca4e49abed8e3a2f7b56920eadee157 preserve-libs a8e50acee31b5759b4df1f7707cae54b strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b vcs-clean d271b7bc7e6a009758d7d4ef749174e3 wrapper 4a1902f969e5718126434fc35f3a0d9c
+_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 447396341f5f896d722e435a06f87a4f eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 69394e25812406faa1f90edaf4969395 fortran-2 72d28c6872beb1e7cb99684b0ae4715d ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib 5ca4e49abed8e3a2f7b56920eadee157 preserve-libs a8e50acee31b5759b4df1f7707cae54b strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b vcs-clean d271b7bc7e6a009758d7d4ef749174e3 wrapper 4a1902f969e5718126434fc35f3a0d9c
_md5_=e001bc09cd538ab64d80eae49115c766
diff --git a/metadata/md5-cache/sci-chemistry/molden-6.9-r1 b/metadata/md5-cache/sci-chemistry/molden-6.9-r1
index 600b3281d327..01d5e90e4469 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 7eb20ad915a0a318176d51bc2508ff5c flag-o-matic 69394e25812406faa1f90edaf4969395 fortran-2 72d28c6872beb1e7cb99684b0ae4715d multilib 5ca4e49abed8e3a2f7b56920eadee157 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b
+_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic 69394e25812406faa1f90edaf4969395 fortran-2 72d28c6872beb1e7cb99684b0ae4715d multilib 5ca4e49abed8e3a2f7b56920eadee157 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b
_md5_=9aa6ccc7bbccdef90f61709317e200a8
diff --git a/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8 b/metadata/md5-cache/sci-chemistry/molmol-2k_p2-r8
index e5daf861211e..e085e06e4de6 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 7eb20ad915a0a318176d51bc2508ff5c multilib 5ca4e49abed8e3a2f7b56920eadee157 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b
+_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d multilib 5ca4e49abed8e3a2f7b56920eadee157 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b
_md5_=dc8981084de315bd307a426462ffc43d
diff --git a/metadata/md5-cache/sci-chemistry/namd-2.10 b/metadata/md5-cache/sci-chemistry/namd-2.10
index de97dad67464..673ff1a11a46 100644
--- a/metadata/md5-cache/sci-chemistry/namd-2.10
+++ b/metadata/md5-cache/sci-chemistry/namd-2.10
@@ -10,5 +10,5 @@ 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_=desktop 7eb20ad915a0a318176d51bc2508ff5c edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 447396341f5f896d722e435a06f87a4f eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 69394e25812406faa1f90edaf4969395 ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib 5ca4e49abed8e3a2f7b56920eadee157 preserve-libs a8e50acee31b5759b4df1f7707cae54b strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b vcs-clean d271b7bc7e6a009758d7d4ef749174e3 wrapper 4a1902f969e5718126434fc35f3a0d9c
+_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 447396341f5f896d722e435a06f87a4f eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 69394e25812406faa1f90edaf4969395 ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib 5ca4e49abed8e3a2f7b56920eadee157 preserve-libs a8e50acee31b5759b4df1f7707cae54b strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b vcs-clean d271b7bc7e6a009758d7d4ef749174e3 wrapper 4a1902f969e5718126434fc35f3a0d9c
_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
index d0ada8d1332b..a60b65f13867 100644
--- a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225
+++ b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225
@@ -1,17 +1,17 @@
BDEPEND=dev-lang/perl doc? ( app-doc/doxygen dev-texlive/texlive-latex ) perl? ( >=dev-lang/swig-2 ) python? ( >=dev-lang/swig-2 ) test? ( dev-lang/python ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst postrm prepare pretend setup test
-DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl )
+DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl )
DESCRIPTION=Interconverts file formats used in molecular modeling
EAPI=8
HOMEPAGE=https://openbabel.org/
INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwidgets xdg-utils
-IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_9 python_targets_python3_10
+IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_9 python_targets_python3_10 python_targets_python3_11
KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux ~ppc-macos
LICENSE=GPL-2
-RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl )
-REQUIRED_USE=python? ( || ( python_targets_python3_9 python_targets_python3_10 ) ) 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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl )
+REQUIRED_USE=python? ( || ( python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 ) ) test? ( inchi json !minimal wxwidgets )
RESTRICT=!test? ( test )
SLOT=0/7.0.0
-SRC_URI=https://github.com/openbabel/openbabel/archive/08e23f39b0cc39b4eebd937a5a2ffc1a7bac3e1b.tar.gz -> openbabel-3.1.1_p20210225.tar.gz https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png http://openbabel.org/OBTitle.jpg -> openbabel.jpg
-_eclasses_=cmake 449b4785acace35308fe747fc939bde1 desktop 7eb20ad915a0a318176d51bc2508ff5c flag-o-matic 69394e25812406faa1f90edaf4969395 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 38c85b725d0467e51954ea921b6c104b out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 666be58f658d6b32affe30f80e39a49e python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils ac0e315a3688929e34ac75b139e7349a
-_md5_=48dcd88dbac28436f16fde742da91c72
+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 449b4785acace35308fe747fc939bde1 desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic 69394e25812406faa1f90edaf4969395 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 38c85b725d0467e51954ea921b6c104b out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 666be58f658d6b32affe30f80e39a49e python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils ac0e315a3688929e34ac75b139e7349a
+_md5_=d569db4cd3e72f18afa12e1236e9fafb
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-9999 b/metadata/md5-cache/sci-chemistry/openbabel-9999
index 203ddd8203ac..0709f8ed63c7 100644
--- a/metadata/md5-cache/sci-chemistry/openbabel-9999
+++ b/metadata/md5-cache/sci-chemistry/openbabel-9999
@@ -1,17 +1,17 @@
BDEPEND=dev-lang/perl doc? ( app-doc/doxygen dev-texlive/texlive-latex ) perl? ( >=dev-lang/swig-2 ) python? ( >=dev-lang/swig-2 ) test? ( dev-lang/python ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
DEFINED_PHASES=compile configure install postinst postrm prepare pretend setup test unpack
-DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl )
+DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl )
DESCRIPTION=Interconverts file formats used in molecular modeling
EAPI=8
HOMEPAGE=https://openbabel.org/
INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwidgets xdg-utils git-r3
-IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_9 python_targets_python3_10
+IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_9 python_targets_python3_10 python_targets_python3_11
LICENSE=GPL-2
PROPERTIES=live
-RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl )
-REQUIRED_USE=python? ( || ( python_targets_python3_9 python_targets_python3_10 ) ) 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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl )
+REQUIRED_USE=python? ( || ( python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 ) ) test? ( inchi json !minimal wxwidgets )
RESTRICT=!test? ( test )
SLOT=0/7.0.0
-SRC_URI=https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png http://openbabel.org/OBTitle.jpg -> openbabel.jpg
-_eclasses_=cmake 449b4785acace35308fe747fc939bde1 desktop 7eb20ad915a0a318176d51bc2508ff5c flag-o-matic 69394e25812406faa1f90edaf4969395 git-r3 2347f8fe2d392b2a091191f94be37e6f multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 38c85b725d0467e51954ea921b6c104b out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 666be58f658d6b32affe30f80e39a49e python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils ac0e315a3688929e34ac75b139e7349a
-_md5_=79aef411b4bf0c44df36916afb955d75
+SRC_URI=https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png https://openbabel.org/OBTitle.jpg -> openbabel.jpg
+_eclasses_=cmake 449b4785acace35308fe747fc939bde1 desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic 69394e25812406faa1f90edaf4969395 git-r3 2347f8fe2d392b2a091191f94be37e6f multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 38c85b725d0467e51954ea921b6c104b out-of-source-utils 1a9007554652a6e627edbccb3c25a439 perl-functions c3fca037246e877693badea0df3b0ef8 python-r1 666be58f658d6b32affe30f80e39a49e python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5 xdg-utils ac0e315a3688929e34ac75b139e7349a
+_md5_=e53077b973bbdce4a2cec3f011cd7c33
diff --git a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3
index 4718122d3582..80e69029a58e 100644
--- a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3
+++ b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3
@@ -11,5 +11,5 @@ 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_=desktop 7eb20ad915a0a318176d51bc2508ff5c edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 447396341f5f896d722e435a06f87a4f eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 fortran-2 72d28c6872beb1e7cb99684b0ae4715d ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib 5ca4e49abed8e3a2f7b56920eadee157 preserve-libs a8e50acee31b5759b4df1f7707cae54b strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b vcs-clean d271b7bc7e6a009758d7d4ef749174e3 versionator d3fb3ba33acc3bbbdc4d7970227c100d wrapper 4a1902f969e5718126434fc35f3a0d9c
+_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 447396341f5f896d722e435a06f87a4f eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 fortran-2 72d28c6872beb1e7cb99684b0ae4715d ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib 5ca4e49abed8e3a2f7b56920eadee157 preserve-libs a8e50acee31b5759b4df1f7707cae54b strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b vcs-clean d271b7bc7e6a009758d7d4ef749174e3 versionator d3fb3ba33acc3bbbdc4d7970227c100d wrapper 4a1902f969e5718126434fc35f3a0d9c
_md5_=b86e2c5d873fef674161fd10b7135120
diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2
index cdb0ad737ac6..3b5b0040c7c3 100644
--- a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2
+++ b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2
@@ -13,5 +13,5 @@ RDEPEND=|| ( dev-cpp/msgpack-cxx dev-libs/msgpack[cxx(-)] ) dev-libs/mmtf-cpp de
REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
SLOT=0
SRC_URI=https://dev.gentoo.org/~pacho/pymol/pymol-1.8.4.0.png.xz https://github.com/schrodinger/pymol-open-source/archive/v2.5.0.tar.gz -> pymol-2.5.0.tar.gz
-_eclasses_=desktop 7eb20ad915a0a318176d51bc2508ff5c distutils-r1 a9f2e2ae24bd496873c092a94cae1539 flag-o-matic 69394e25812406faa1f90edaf4969395 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 38c85b725d0467e51954ea921b6c104b out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 666be58f658d6b32affe30f80e39a49e python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b xdg 6024fbc93167fad782e2032933654857 xdg-utils ac0e315a3688929e34ac75b139e7349a
+_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d distutils-r1 a9f2e2ae24bd496873c092a94cae1539 flag-o-matic 69394e25812406faa1f90edaf4969395 multibuild bddcb51b74f4a76724ff7cf8e7388869 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 ninja-utils 38c85b725d0467e51954ea921b6c104b out-of-source-utils 1a9007554652a6e627edbccb3c25a439 python-r1 666be58f658d6b32affe30f80e39a49e python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b xdg 6024fbc93167fad782e2032933654857 xdg-utils ac0e315a3688929e34ac75b139e7349a
_md5_=f39e6f47ef598acf182b315199f4b61e
diff --git a/metadata/md5-cache/sci-chemistry/tinker-8.2.1 b/metadata/md5-cache/sci-chemistry/tinker-8.2.1
index d8b916b0231a..11cca847bed3 100644
--- a/metadata/md5-cache/sci-chemistry/tinker-8.2.1
+++ b/metadata/md5-cache/sci-chemistry/tinker-8.2.1
@@ -11,5 +11,5 @@ RDEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar !
RESTRICT=mirror
SLOT=0
SRC_URI=http://dasher.wustl.edu/tinker/downloads/tinker-8.2.1.tar.gz
-_eclasses_=desktop 7eb20ad915a0a318176d51bc2508ff5c eapi7-ver 1a0a60ad07c8b32d2faba2d085dc0f24 edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 447396341f5f896d722e435a06f87a4f eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 69394e25812406faa1f90edaf4969395 fortran-2 72d28c6872beb1e7cb99684b0ae4715d java-pkg-opt-2 4d26f2efd4c5ec82b66d1e8816f421b2 java-utils-2 eefed04ac580a259ecda1fbd966640b7 ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib 5ca4e49abed8e3a2f7b56920eadee157 preserve-libs a8e50acee31b5759b4df1f7707cae54b strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b vcs-clean d271b7bc7e6a009758d7d4ef749174e3 versionator d3fb3ba33acc3bbbdc4d7970227c100d wrapper 4a1902f969e5718126434fc35f3a0d9c
+_eclasses_=desktop 021728fdc1b03b36357dbc89489e0f0d eapi7-ver 1a0a60ad07c8b32d2faba2d085dc0f24 edos2unix 33e347e171066657f91f8b0c72ec8773 epatch 447396341f5f896d722e435a06f87a4f eqawarn c9847c43b3253a276ae2eabddedab3d7 estack 055c42df72f76a4f45ec92b35e83cd56 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 69394e25812406faa1f90edaf4969395 fortran-2 72d28c6872beb1e7cb99684b0ae4715d java-pkg-opt-2 4d26f2efd4c5ec82b66d1e8816f421b2 java-utils-2 eefed04ac580a259ecda1fbd966640b7 ltprune 97143780d341cc8d8f1d4c6187a36d29 multilib 5ca4e49abed8e3a2f7b56920eadee157 preserve-libs a8e50acee31b5759b4df1f7707cae54b strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b vcs-clean d271b7bc7e6a009758d7d4ef749174e3 versionator d3fb3ba33acc3bbbdc4d7970227c100d wrapper 4a1902f969e5718126434fc35f3a0d9c
_md5_=d76608229d3c47e52e112ff912da468a
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 9eade11b4ad7..ade44663df40 100644
--- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57
+++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57
@@ -14,5 +14,5 @@ REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10
RESTRICT=fetch
SLOT=0
SRC_URI=vmd-1.9.4a57.src.tar.gz fetch+https://dev.gentoo.org/~pacho/vmd/vmd-1.9.4_alpha57-gentoo-patches.tar.xz
-_eclasses_=cuda bbef1902e3953ff9f3a9947ebf4e56f9 desktop 7eb20ad915a0a318176d51bc2508ff5c flag-o-matic 69394e25812406faa1f90edaf4969395 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 prefix eab3c99d77fe00506c109c8a736186f7 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b xdg 6024fbc93167fad782e2032933654857 xdg-utils ac0e315a3688929e34ac75b139e7349a
+_eclasses_=cuda bbef1902e3953ff9f3a9947ebf4e56f9 desktop 021728fdc1b03b36357dbc89489e0f0d flag-o-matic 69394e25812406faa1f90edaf4969395 multilib 5ca4e49abed8e3a2f7b56920eadee157 multiprocessing b4e253ab22cef7b1085e9b67c7a3b730 prefix eab3c99d77fe00506c109c8a736186f7 python-single-r1 75118e916668a74c660a13b0ecb22562 python-utils-r1 429bfd4e8d8e39db5385ba5744f30788 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b xdg 6024fbc93167fad782e2032933654857 xdg-utils ac0e315a3688929e34ac75b139e7349a
_md5_=73710647c2d656d0979711d61e4e809f
diff --git a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1
index 7757076919d7..c457f60321bf 100644
--- a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1
+++ b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1
@@ -10,5 +10,5 @@ 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 6dcd6b6a486e79928e1243ff9ba41fcc desktop 7eb20ad915a0a318176d51bc2508ff5c edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 69394e25812406faa1f90edaf4969395 gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 241a8f577b9781a42a7421e53448a44e multilib 5ca4e49abed8e3a2f7b56920eadee157 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b wrapper 4a1902f969e5718126434fc35f3a0d9c wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5
+_eclasses_=autotools 6dcd6b6a486e79928e1243ff9ba41fcc desktop 021728fdc1b03b36357dbc89489e0f0d edos2unix 33e347e171066657f91f8b0c72ec8773 eutils 8f942ebdcf04334697649d4a0bf65a32 flag-o-matic 69394e25812406faa1f90edaf4969395 gnuconfig b6b3e92f8b8c996400074b5f61a59256 libtool 241a8f577b9781a42a7421e53448a44e multilib 5ca4e49abed8e3a2f7b56920eadee157 strip-linguas ac3ee41ee2d31d8c41a77c0838320cc7 toolchain-funcs 6001248ef162a5fa2a21ce132a212f6b wrapper 4a1902f969e5718126434fc35f3a0d9c wxwidgets 9a707a3f9f1ea7aa703b1e46552291e5
_md5_=79066879c49f635ae7f6925ca500e74a