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authorAaron Bauman <bman@gentoo.org>2020-07-28 14:45:29 -0400
committerAaron Bauman <bman@gentoo.org>2020-07-28 14:45:29 -0400
commit3831172264494f42d621e760593f4d066900d922 (patch)
tree3a31692fd34affb4b8b80d14ac9029f7162213eb /sci-chemistry/apbs
parentupdates/2Q2018: drop slotmove for netmail/getmail (diff)
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*/*: Drop more Py2 last-rited pkgs
Bug: https://bugs.gentoo.org/715966 Closes: https://bugs.gentoo.org/714628 Closes: https://bugs.gentoo.org/606680 Closes: https://bugs.gentoo.org/686238 Closes: https://bugs.gentoo.org/710214 Closes: https://bugs.gentoo.org/710028 Closes: https://bugs.gentoo.org/710032 Closes: https://bugs.gentoo.org/656934 Closes: https://bugs.gentoo.org/592718 Closes: https://bugs.gentoo.org/446122 Closes: https://bugs.gentoo.org/547210 Closes: https://bugs.gentoo.org/359785 Closes: https://bugs.gentoo.org/571396 Closes: https://bugs.gentoo.org/600754 Closes: https://bugs.gentoo.org/677830 Closes: https://bugs.gentoo.org/710716 Closes: https://bugs.gentoo.org/651940 Closes: https://bugs.gentoo.org/695132 Closes: https://bugs.gentoo.org/708978 Closes: https://bugs.gentoo.org/710058 Signed-off-by: Aaron Bauman <bman@gentoo.org>
Diffstat (limited to 'sci-chemistry/apbs')
-rw-r--r--sci-chemistry/apbs/Manifest1
-rw-r--r--sci-chemistry/apbs/apbs-1.4.1-r2.ebuild129
-rw-r--r--sci-chemistry/apbs/files/apbs-1.4.1-manip.patch50
-rw-r--r--sci-chemistry/apbs/files/apbs-1.4.1-multilib.patch92
-rw-r--r--sci-chemistry/apbs/files/apbs-1.4.1-python.patch122
-rw-r--r--sci-chemistry/apbs/metadata.xml25
6 files changed, 0 insertions, 419 deletions
diff --git a/sci-chemistry/apbs/Manifest b/sci-chemistry/apbs/Manifest
deleted file mode 100644
index 1a146495e053..000000000000
--- a/sci-chemistry/apbs/Manifest
+++ /dev/null
@@ -1 +0,0 @@
-DIST apbs-1.4.1.zip 37999283 BLAKE2B 2301deb7ab4eb2f20098cf63df180bb53189e42a89cd5559357cdcf08e84d27a44eafe8557bb460574802d24d29741ad4606dc3bd7f32911d0d0f2c7453d6470 SHA512 3a127af3940054e5a43b3c0c620507f4f9baa69049e5a0933d8e8825458ad2faba840392752de49fe68d91e2054fb1394cf87bb5bb1c0b48305368e2f404cf6a
diff --git a/sci-chemistry/apbs/apbs-1.4.1-r2.ebuild b/sci-chemistry/apbs/apbs-1.4.1-r2.ebuild
deleted file mode 100644
index 4ea1cfcd1fad..000000000000
--- a/sci-chemistry/apbs/apbs-1.4.1-r2.ebuild
+++ /dev/null
@@ -1,129 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python2_7 )
-DISTUTILS_SINGLE_IMPL=true
-COMMIT="74fcb8676de69ed04ddab8976a8b05a6caaf4d65"
-inherit cmake-utils distutils-r1 flag-o-matic toolchain-funcs
-
-DESCRIPTION="Evaluation of electrostatic properties of nanoscale biomolecular systems"
-HOMEPAGE="https://www.poissonboltzmann.org/apbs/"
-#SRC_URI="mirror://sourceforge/${PN}/${P}-source.tar.gz"
-SRC_URI="https://github.com/Electrostatics/apbs-pdb2pqr/archive/${COMMIT}.zip -> ${P}.zip"
-
-SLOT="0"
-LICENSE="BSD"
-KEYWORDS="amd64 ppc x86 ~amd64-linux ~x86-linux"
-IUSE="debug doc examples fast +fetk iapbs mpi openmp python tools"
-
-REQUIRED_USE="
- iapbs? ( fetk )
- mpi? ( !python )
- python? ( tools fetk iapbs ${PYTHON_REQUIRED_USE} )"
-
-RDEPEND="
- dev-cpp/eigen:3
- dev-libs/maloc[mpi=]
- sys-libs/readline
- virtual/blas
- fetk? (
- sci-libs/amd
- sci-libs/fetk
- sci-libs/superlu
- sci-libs/umfpack
- )
- mpi? ( virtual/mpi )
- python? ( ${PYTHON_DEPS} )
-"
-DEPEND="${RDEPEND}
- virtual/pkgconfig
- doc? ( app-doc/doxygen )
-"
-
-S="${WORKDIR}"/${PN}-pdb2pqr-${COMMIT}/${PN}
-
-PATCHES=(
- "${FILESDIR}"/${P}-multilib.patch
- "${FILESDIR}"/${P}-manip.patch
- "${FILESDIR}"/${P}-python.patch
-)
-
-src_prepare() {
- cmake-utils_src_prepare
- append-cppflags $($(tc-getPKG_CONFIG) --cflags eigen3)
-
- sed \
- -e "s:-lblas:$($(tc-getPKG_CONFIG) --libs blas):g" \
- -e "/TOOLS_PATH/d" \
- -i CMakeLists.txt || die
- use doc && MAKEOPTS+=" -j1"
- if use python; then
- unset PATCHES || die
- cd tools/python || die
- distutils-r1_src_prepare
- fi
-}
-
-src_configure() {
- local mycmakeargs=(
- -DCMAKE_SKIP_RPATH=ON
- -DTOOLS_PATH="${ED%/}"/usr
- -DSYS_LIBPATHS="${EPREFIX}"/usr/$(get_libdir)
- -DLIBRARY_INSTALL_PATH=$(get_libdir)
- -DFETK_PATH="${EPREFIX}"/usr/
- -DBUILD_SHARED_LIBS=ON
- -DENABLE_QUIT=OFF
- -DBUILD_DOC=$(usex doc)
- -DBUILD_TOOLS=$(usex tools)
- -DENABLE_BEM=OFF
-# ENABLE_BEM: Boundary element method using TABIPB
- -DENABLE_DEBUG=$(usex debug)
- -DENABLE_VERBOSE_DEBUG=$(usex debug)
- -DENABLE_FAST=$(usex fast)
- -DENABLE_FETK=$(usex fetk)
- -DENABLE_MPI=$(usex mpi)
- -DENABLE_PYTHON=$(usex python)
-# ENABLE_TINKER: Enable TINKER support
- -DENABLE_iAPBS=$(usex iapbs)
-# MAX_MEMORY: Set the maximum memory (in MB) to be used for a job
- )
- cmake-utils_src_configure
- if use python; then
- cd tools/python || die
- distutils-r1_src_configure
- fi
-}
-
-src_compile() {
- cmake-utils_src_compile
- if use python; then
- append-ldflags -L"${S}"/lib
- cd tools/python || die
- distutils-r1_src_compile
- fi
-}
-
-src_test() {
- python_setup
- cd tests || die
- LD_LIBRARY_PATH="${S}"/lib "${PYTHON}" apbs_tester.py -l log || die
- grep -q 'FAILED' log && die "Tests failed"
-}
-
-src_install() {
- dodir /usr/bin
- cmake-utils_src_install
- local i
- for i in "${ED}"/usr/bin/*; do
- if [[ ! "${i}" =~ .*apbs$ ]]; then
- mv "${i}" "${i}-apbs" || die
- fi
- done
- if use python; then
- cd tools/python || die
- distutils-r1_src_install
- rm -rf "${ED}"/usr/share/apbs/tools/python || die
- fi
-}
diff --git a/sci-chemistry/apbs/files/apbs-1.4.1-manip.patch b/sci-chemistry/apbs/files/apbs-1.4.1-manip.patch
deleted file mode 100644
index 090a27d8a5a6..000000000000
--- a/sci-chemistry/apbs/files/apbs-1.4.1-manip.patch
+++ /dev/null
@@ -1,50 +0,0 @@
- apbs/CMakeLists.txt | 2 +-
- apbs/tools/CMakeLists.txt | 4 ----
- apbs/tools/mesh/CMakeLists.txt | 4 ++--
- 4 files changed, 5 insertions(+), 9 deletions(-)
-
-diff --git a/CMakeLists.txt b/CMakeLists.txt
-index 8917fc4..5152008 100644
---- a/CMakeLists.txt
-+++ b/CMakeLists.txt
-@@ -293,7 +293,7 @@ option(ENABLE_FETK "Enable the finite element solver" OFF)
-
- if(ENABLE_FETK)
- message(STATUS "Checking for fetk components")
-- set(FETK_ENALBED 1)
-+ set(FETK_ENABLED 1)
-
- list(APPEND APBS_LIBS "-lstdc++")
- list(APPEND APBS_LIBS "-L${FETK_PATH}/lib")
-diff --git a/tools/manip/CMakeLists.txt b/tools/manip/CMakeLists.txt
-index 937dac7..5768cc5 100644
---- a/tools/manip/CMakeLists.txt
-+++ b/tools/manip/CMakeLists.txt
-@@ -4,9 +4,9 @@ set(LIBS "")
- list(APPEND LIBS "apbs_generic")
- list(APPEND LIBS "apbs_mg")
- list(APPEND LIBS "apbs_pmgc")
--if(FETK_ENALBED)
-+if(FETK_ENABLED)
- list(APPEND LIBS "apbs_fem")
--endif(FETK_ENALBED)
-+endif(FETK_ENABLED)
-
- message(STATUS "libraries: ${LIBS}")
-
-diff --git a/tools/mesh/CMakeLists.txt b/tools/mesh/CMakeLists.txt
-index 1406377..6e6dfb9 100644
---- a/tools/mesh/CMakeLists.txt
-+++ b/tools/mesh/CMakeLists.txt
-@@ -4,9 +4,9 @@ set(LIBS "")
- list(APPEND LIBS "apbs_generic")
- list(APPEND LIBS "apbs_mg")
- list(APPEND LIBS "apbs_pmgc")
--if(FETK_ENALBED)
-+if(FETK_ENABLED)
- list(APPEND LIBS "apbs_fem")
--endif(FETK_ENALBED)
-+endif(FETK_ENABLED)
-
- message(STATUS "libraries: ${LIBS}")
-
diff --git a/sci-chemistry/apbs/files/apbs-1.4.1-multilib.patch b/sci-chemistry/apbs/files/apbs-1.4.1-multilib.patch
deleted file mode 100644
index a4e2d1761cf4..000000000000
--- a/sci-chemistry/apbs/files/apbs-1.4.1-multilib.patch
+++ /dev/null
@@ -1,92 +0,0 @@
- CMakeLists.txt | 18 +++++++++---------
- src/CMakeLists.txt | 1 -
- src/fem/CMakeLists.txt | 2 +-
- src/pmgc/CMakeLists.txt | 2 +-
- 4 files changed, 11 insertions(+), 12 deletions(-)
-
-diff --git a/CMakeLists.txt b/CMakeLists.txt
-index 75ddbdd..c46f5e7 100644
---- a/CMakeLists.txt
-+++ b/CMakeLists.txt
-@@ -61,7 +61,7 @@ set(LIBRARY_OUTPUT_PATH ${APBS_ROOT}/lib)
- set(TOOLS_PATH ${APBS_ROOT}/tools)
- set(APBS_BINARY ${EXECUTABLE_OUTPUT_PATH}/apbs)
-
--set(LIBRARY_INSTALL_PATH lib)
-+set(LIBRARY_INSTALL_PATH ${CMAKE_INSTALL_LIBDIR})
- set(HEADER_INSTALL_PATH include/apbs)
- set(EXECUTABLE_INSTALL_PATH bin)
- set(SHARE_INSTALL_PATH share/apbs)
-@@ -93,8 +93,6 @@ set(CMAKE_INCLUDE_PATH "${CMAKE_INCLUDE_PATH}")
- list(APPEND CMAKE_INCLUDE_PATH /usr/include)
- list(APPEND CMAKE_INCLUDE_PATH /usr/local/include)
-
--set(APBS_LIBS "-L${APBS_ROOT}/lib -lapbs_geoflow")
--
- ################################################################################
- # Enable ansi pedantic compiling #
- ################################################################################
-@@ -193,9 +191,11 @@ if(ENABLE_BEM)
- else()
- set(TABI_LIBRARY_BASENAME ${CMAKE_STATIC_LIBRARY_PREFIX}${TABI}${CMAKE_STATIC_LIBRARY_SUFFIX})
- endif()
--
-+
-+ file(GLOB MODS ${LIBRARY_OUTPUT_PATH}/*.mod)
-+
- install(
-- FILES ${LIBRARY_OUTPUT_PATH}/${TABI_LIBRARY_BASENAME} ${LIBRARY_OUTPUT_PATH}/*.mod
-+ FILES ${LIBRARY_OUTPUT_PATH}/${TABI_LIBRARY_BASENAME} ${MODS}
- DESTINATION ${LIBRARY_INSTALL_PATH}
- )
- set(TABI_LIBRARY ${APBS_ROOT}/${LIBRARY_INSTALL_PATH}/${TABI_LIBRARY_BASENAME})
-@@ -210,7 +210,7 @@ if(ENABLE_BEM)
- endif()
- get_filename_component(LIBGFORTRANPATH ${LIBGFORTRANPATH} PATH)
- find_path(LIBGFORTRAN_PATH ${LIBGFORTRAN_NAME} PATH ${LIBGFORTRANPATH})
-- list(APPEND APBS_LIBS "-L${APBS_ROOT}/${LIBRARY_INSTALL_PATH} -L${LIBGFORTRAN_PATH} -lgfortran -ltabipb" )
-+ list(APPEND APBS_LIBS "-L${APBS_ROOT}/lib -L${LIBGFORTRAN_PATH} -lgfortran -ltabipb" )
- endif() # ENABLE_BEM
-
- find_file( # this should be find path...
-@@ -228,7 +228,7 @@ endif()
-
-
- find_library(MALOC_LIBRARY "maloc"
-- PATHS ${FETK_PATH}/lib ${CONTRIB_PATH}
-+ PATHS ${FETK_PATH}/${CMAKE_INSTALL_LIBDIR} ${CONTRIB_PATH}
- DOC "The fetk/maloc library"
- )
- if(MALOC_LIBRARY)
-@@ -296,9 +296,9 @@ if(ENABLE_FETK)
- set(FETK_ENALBED 1)
-
- list(APPEND APBS_LIBS "-lstdc++")
-- list(APPEND APBS_LIBS "-L${FETK_PATH}/lib")
-+ list(APPEND APBS_LIBS "-L${FETK_PATH}/${CMAKE_INSTALL_LIBDIR}")
- list(APPEND APBS_LIBS -lamd -lpunc -lmc -lgamer -lsuperlu -lumfpack
---lblas -lvf2c -ltetgen -ltriangle -lg2c -lreadline )
-+-lblas -lvf2c -ltetgen -ltriangle -lreadline )
-
- SET(HAVE_MC_H YES)
- endif()
-diff --git a/src/fem/CMakeLists.txt b/src/fem/CMakeLists.txt
-index 5a950c2..dc37f48 100644
---- a/src/fem/CMakeLists.txt
-+++ b/src/fem/CMakeLists.txt
-@@ -12,4 +12,4 @@ add_items(
- vpee.h
- )
-
--add_sublibrary(fem)
-+add_sublibrary(fem apbs_geoflow)
-diff --git a/src/pmgc/CMakeLists.txt b/src/pmgc/CMakeLists.txt
-index 85b0c1e..97c95f0 100644
---- a/src/pmgc/CMakeLists.txt
-+++ b/src/pmgc/CMakeLists.txt
-@@ -42,4 +42,4 @@ add_items(
- mgfasd.h
- )
-
--add_sublibrary(pmgc)
-+add_sublibrary(pmgc apbs_geoflow)
diff --git a/sci-chemistry/apbs/files/apbs-1.4.1-python.patch b/sci-chemistry/apbs/files/apbs-1.4.1-python.patch
deleted file mode 100644
index 5ad6613615f2..000000000000
--- a/sci-chemistry/apbs/files/apbs-1.4.1-python.patch
+++ /dev/null
@@ -1,122 +0,0 @@
- apbs/contrib/iapbs/src/apbs_driver.c | 6 +++---
- apbs/src/CMakeLists.txt | 1 +
- apbs/tools/CMakeLists.txt | 2 +-
- apbs/tools/python/CMakeLists.txt | 1 +
- apbs/tools/python/apbslib.c | 4 ++--
- apbs/tools/python/apbslib.i | 4 ++--
- apbs/tools/python/setup.py | 16 ++++++++++++++++
- 7 files changed, 26 insertions(+), 8 deletions(-)
-
-diff --git a/contrib/iapbs/src/apbs_driver.c b/contrib/iapbs/src/apbs_driver.c
-index c9e443b..e1ad67f 100644
---- a/contrib/iapbs/src/apbs_driver.c
-+++ b/contrib/iapbs/src/apbs_driver.c
-@@ -595,7 +595,7 @@ int apbsdrv_(
- printPBEPARM(pbeparm);
-
- /* Refine mesh */
-- if (!preRefineFE(i, nosh, feparm, fetk)) {
-+ if (!preRefineFE(i, feparm, fetk)) {
- Vnm_tprint( 2, "Error pre-refining mesh!\n");
- VJMPERR1(0);
- }
-@@ -609,7 +609,7 @@ int apbsdrv_(
- Vnm_tprint(1, " Beginning solve-estimate-refine cycle:\n");
- for (isolve=0; isolve<feparm->maxsolve; isolve++) {
- Vnm_tprint(1, " Solve #%d...\n", isolve);
-- if (!solveFE(i, nosh, pbeparm, feparm, fetk)) {
-+ if (!solveFE(i, pbeparm, feparm, fetk)) {
- Vnm_tprint(2, "ERROR SOLVING EQUATION!\n");
- VJMPERR1(0);
- }
-@@ -622,7 +622,7 @@ int apbsdrv_(
- /* We're not going to refine if we've hit the max number
- * of solves */
- if (isolve < (feparm->maxsolve)-1) {
-- if (!postRefineFE(i, nosh, feparm, fetk)) break;
-+ if (!postRefineFE(i, feparm, fetk)) break;
- }
- bytesTotal = Vmem_bytesTotal();
- highWater = Vmem_highWaterTotal();
-diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
-index 44d20fa..2577343 100644
---- a/src/CMakeLists.txt
-+++ b/src/CMakeLists.txt
-@@ -68,6 +68,7 @@ configure_file(
-
- if(ENABLE_iAPBS)
- ADD_LIBRARY(apbs_routines routines.c routines.h)
-+ target_link_libraries(apbs_routines apbs_mg apbs_fem)
- INSTALL(TARGETS apbs_routines DESTINATION ${LIBRARY_INSTALL_PATH})
- INSTALL(FILES apbscfg.h DESTINATION ${HEADER_INSTALL_PATH})
- endif()
-diff --git a/tools/CMakeLists.txt b/tools/CMakeLists.txt
-index 1982a3c..4acbe68 100644
---- a/tools/CMakeLists.txt
-+++ b/tools/CMakeLists.txt
-@@ -4,5 +4,5 @@ add_subdirectory(mesh)
- add_subdirectory(manip)
-
- if(ENABLE_PYTHON)
-- add_subdirectory(manip)
-+ add_subdirectory(python)
- endif(ENABLE_PYTHON)
-diff --git a/tools/python/CMakeLists.txt b/tools/python/CMakeLists.txt
-new file mode 100644
-index 0000000..8b13789
---- /dev/null
-+++ b/tools/python/CMakeLists.txt
-@@ -0,0 +1 @@
-+
-diff --git a/tools/python/apbslib.c b/tools/python/apbslib.c
-index fef5cc8..feaaa2c 100644
---- a/tools/python/apbslib.c
-+++ b/tools/python/apbslib.c
-@@ -2504,8 +2504,8 @@ static swig_module_info swig_module = {swig_types, 24, 0, 0, 0, 0};
- #include "maloc/maloc.h"
- #include "apbscfg.h"
- #include "routines.h"
--#include "apbs/valist.h"
--#include "apbs/vatom.h"
-+#include "generic/valist.h"
-+#include "generic/vatom.h"
-
-
- #include <limits.h>
-diff --git a/tools/python/apbslib.i b/tools/python/apbslib.i
-index 17fe521..44d05ea 100644
---- a/tools/python/apbslib.i
-+++ b/tools/python/apbslib.i
-@@ -15,8 +15,8 @@ Header files:
- #include "maloc/maloc.h"
- #include "apbscfg.h"
- #include "routines.h"
--#include "apbs/valist.h"
--#include "apbs/vatom.h"
-+#include "generic/valist.h"
-+#include "generic/vatom.h"
- %}
-
- /*
-diff --git a/tools/python/setup.py b/tools/python/setup.py
-new file mode 100644
-index 0000000..4a20198
---- /dev/null
-+++ b/tools/python/setup.py
-@@ -0,0 +1,16 @@
-+from distutils.core import setup, Extension
-+setup(name='apbs',
-+ version='1.4.1',
-+ package_dir={'apbs': '', 'vgrid': 'vgrid'},
-+ packages=['apbs', 'vgrid'],
-+ py_modules=['apbslib', 'main', 'noinput'],
-+ ext_modules=[
-+ Extension(
-+ '_apbslib',
-+ ['apbslib.i'],
-+ swig_opts=['-module', 'apbslib', '-I../include'],
-+ include_dirs=["../../src"],
-+ libraries=["apbs_generic", "apbs_routines"]
-+ )
-+ ],
-+ )
diff --git a/sci-chemistry/apbs/metadata.xml b/sci-chemistry/apbs/metadata.xml
deleted file mode 100644
index a33a5468d19c..000000000000
--- a/sci-chemistry/apbs/metadata.xml
+++ /dev/null
@@ -1,25 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
- <maintainer type="project">
- <email>sci-chemistry@gentoo.org</email>
- <name>Gentoo Chemistry Project</name>
- </maintainer>
- <use>
- <flag name="fetk">Include support for FeTK</flag>
- <flag name="fast">APBS fast mode (experimental)</flag>
- <flag name="iapbs">C/C++/Fortran interface</flag>
- <flag name="tools">Install optional tools</flag>
- </use>
- <longdescription>
-APBS is a software package for modeling biomolecular solvation through solution
-of the Poisson-Boltzmann equation (PBE), one of the most popular continuum
-models for describing electrostatic interactions between molecular solutes in
-salty, aqueous media. Continuum electrostatics plays an important role in
-several areas of biomolecular simulation
- </longdescription>
- <upstream>
- <remote-id type="github">Electrostatics/apbs-pdb2pqr</remote-id>
- <remote-id type="sourceforge">apbs</remote-id>
- </upstream>
-</pkgmetadata>